# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-06-15T00:57:26+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'J. Am. Chem. Soc.') AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000044","4.799","","4.799","","4.799","","90","","90","","90","","110.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Calcium oxide","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Primak, W; Kaufman, H; Ward, R","X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors","Journal of the American Chemical Society","1948","70","","2043","2046","10.1021/ja01186a018","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1008127","4","","4","","4","","90","","90","","90","","64","","","","","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","Tetradeuterioammonium bromide - IV","","- Br D4 N -","- Br D4 N -","- Br D4 N -","1","0.0416667","","Levy, H A; Peterson, S W","Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases","Journal of the American Chemical Society","1953","75","","1536","1542","10.1021/ja01103a006","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008128","4.06","","4.06","","4.06","","90","","90","","90","","66.9","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Tetradeuterioammonium bromide - II","","- Br D4 N -","- Br D4 N -","- Br D4 N -","1","0.0208333","","Levy, H A; Peterson, S W","Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases","Journal of the American Chemical Society","1953","75","","1536","1542","10.1021/ja01103a006","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008129","5.826","","5.826","","4.136","","90","","90","","90","","140.4","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Tetradeuterioammonium bromide - III","","- Br D4 N -","- Br D4 N -","- Br2 D8 N2 -","2","0.125","","Levy, H A; Peterson, S W","Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases","Journal of the American Chemical Society","1953","75","","1536","1542","10.1021/ja01103a006","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008130","5.609","0.002","5.609","0.002","12.991","0.002","90","","90","","90","","408.7","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Potassium teraoxoruthenate(VII)","","- K O4 Ru -","- K O4 Ru -","- K4 O16 Ru4 -","4","0.25","","Silverman, M D; Levy, H A","Crystal Structure of Potassium Perruthenate, K Ru O~4~","Journal of the American Chemical Society","1954","76","","3317","3319","10.1021/ja01641a072","","","","","","0.096","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008156","4.315","","4.315","","6.99","","90","","90","","90","","130.1","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Xenon(II) fluoride","","- F2 Xe -","- F2 Xe -","- F4 Xe2 -","2","0.0625","","Levy, H A; Agron, P A","The Crystal and Molecular Structure of Xenon Difluoride by Neutron Diffraction","Journal of the American Chemical Society","1963","85","","241","242","10.1021/ja00885a037","","","","","","0.097","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008920","6.9","","6.9","","6.9","","90","","90","","90","","328.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Tetradeuterioammonium bromide - I","","- Br D4 N -","- Br D3.9984 N -","- Br4 D15.9936 N4 -","4","0.0208333","","Levy, H A; Peterson, S W","Neutron diffraction determination of the crystal structure of ammonium bromide in four phases","Journal of the American Chemical Society","1953","75","","1536","1542","10.1021/ja01103a006","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010049","5.85","","12.67","","8.5","","90","","90","0","90","","630","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","POTASSIUM HEPTAFLUORONIOBATE","","- F7 K2 Nb -","- F7 K2 Nb -","- F28 K8 Nb4 -","4","1","","Hoard, J L","Structures of complex fluorides. Potassium heptafluocolumbate. The Configuration of the heptafluocolumbate and heptafluortantalate ions","Journal of the American Chemical Society","1939","61","","1252","1259","10.1021/ja01874a073","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010050","5.85","","12.67","","8.5","","90","","90","0","90","","630","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Potassium heptafluorotantalate","","- F7 K2 Ta -","- F7 K2 Ta -","- F28 K8 Ta4 -","4","1","","Hoard, J L","Structures of complex fluorides. Potassium heptafluocolumbate. The Configuration of the heptafluocolumbate and heptafluortantalate ions","Journal of the American Chemical Society","1939","61","","1252","1259","10.1021/ja01874a073","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010073","4.06","","4.06","","4.06","","98.37","","98.37","","98.37","","64.5","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","CAESIUM DICHLOROIODATE(I)","","- Cl2 Cs I -","- Cl2 Cs I -","- Cl2 Cs I -","1","0.0833333","","Wyckoff, R W G","The Crystal Structure of Cesium Dichloro-Iodide","Journal of the American Chemical Society","1920","42","","1100","1116","10.1021/ja01451a005","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010074","6.9","","6.9","","6.9","","90","","90","","90","","328.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ammonium bromide","","- Br H4 N -","- Br H4 N -","- Br4 H16 N4 -","4","0.0208333","","Bartlett, G; Langmuir, I","The Crystal Structure of the Ammonium Halides Above and Below the Transition Temperature","Journal of the American Chemical Society","1921","43","","84","91","10.1021/ja01434a010","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010075","7.199","","7.199","","7.199","","90","","90","","90","","373.1","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ammonium iodide","","- H4 I N -","- H4 I N -","- H16 I4 N4 -","4","0.0208333","","Bartlett, G; Langmuir, I","The Crystal Structure of the Ammonium Halides Above and Below the Transition Temperature","Journal of the American Chemical Society","1921","43","","84","91","10.1021/ja01434a010","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010076","5.82","","5.82","","5.82","","90","","90","","90","","197.1","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Copper(I) bromide","","- Br Cu -","- Br Cu -","- Br4 Cu4 -","4","0.0416667","","Wyckoff, R W G; Posnjak, E","The Crystal Structures of the Cuprous Halides","Journal of the American Chemical Society","1922","44","","30","36","10.1021/ja01422a005","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010077","9.96","","9.96","","9.96","","90","","90","","90","","988","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium hexachlorostannate","","- Cl6 K2 Sn -","- Cl6 K2 Sn -","- Cl24 K8 Sn4 -","4","0.0208333","","Dickinson, R G","The Crystal Structures of Potassium and Ammonium Chlorostannates","Journal of the American Chemical Society","1922","44","","276","288","10.1021/ja01423a006","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010078","10.05","","10.05","","10.05","","90","","90","","90","","1015.1","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexachlorostannate","","- Cl6 H8 N2 Sn -","- Cl6 H8 N2 Sn -","- Cl24 H32 N8 Sn4 -","4","0.0208333","","Dickinson, R G","The Crystal Structures of Potassium and Ammonium Chlorostannates","Journal of the American Chemical Society","1922","44","","276","288","10.1021/ja01423a006","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010079","12.54","","12.54","","12.54","","90","","90","","90","","1971.9","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Potassium tetracyanozincate","","- C4 K2 N4 Zn -","- C4 K2 N4 Zn -","- C32 K16 N32 Zn8 -","8","0.0416667","","Dickinson, R G","The Crystal Structures of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury","Journal of the American Chemical Society","1922","44","","774","784","10.1021/ja01425a010","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010080","12.84","","12.84","","12.84","","90","","90","","90","","2116.9","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Potassium tetracyanocadmate","","- C4 Cd K2 N4 -","- C4 Cd K2 N4 -","- C32 Cd8 K16 N32 -","8","0.0416667","","Dickinson, R G","The Crystal Structures of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury","Journal of the American Chemical Society","1922","44","","774","784","10.1021/ja01425a010","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010081","12.76","","12.76","","12.76","","90","","90","","90","","2077.6","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Potassium tetracyanomercurate","","- C4 Hg K2 N4 -","- C4 Hg K2 N4 -","- C32 Hg8 K16 N32 -","8","0.0416667","","Dickinson, R G","The Crystal Structure of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury","Journal of the American Chemical Society","1922","44","","774","784","10.1021/ja01425a010","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010082","7.04","","7.04","","4.1","","90","","90","","90","","203.2","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Potassium tetrachloropalladate","","- Cl4 K2 Pd -","- Cl4 K2 Pd -","- Cl4 K2 Pd -","1","0.0625","","Dickinson, R G","The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates","Journal of the American Chemical Society","1922","44","","2404","2411","10.1021/ja01432a007","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010083","6.99","","6.99","","4.13","","90","","90","","90","","201.8","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Potassium tetrachloroplatinate(II)","","- Cl4 K2 Pt -","- Cl4 K2 Pt -","- Cl4 K2 Pt -","1","0.0625","","Dickinson, R G","The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates","Journal of the American Chemical Society","1922","44","","2404","2411","10.1021/ja01432a007","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010084","7.21","","7.21","","4.26","","90","","90","","90","","221.5","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Ammonium tetrachloropalladate","","- Cl4 H8 N2 Pd -","- Cl4 H8 N2 Pd -","- Cl4 H8 N2 Pd -","1","0.0625","","Dickinson, R G","The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates","Journal of the American Chemical Society","1922","44","","2404","2411","10.1021/ja01432a007","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010085","9.1","","9.1","","9.1","","90","","90","","90","","753.6","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Ammonium hexafluoroferrate(III)","","- F6 Fe H12 N3 -","- F6 Fe H12 N3 -","- F24 Fe4 H48 N12 -","4","0.0416667","","Pauling, L","The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate","Journal of the American Chemical Society","1924","46","","2738","2751","10.1021/ja01677a019","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010086","8.4","","8.4","","8.4","","90","","90","","90","","592.7","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Ammonium hexafluoroaluminate","","- Al F6 H12 N3 -","- Al F6 H12 N3 -","- Al4 F24 H48 N12 -","4","0.0416667","","Pauling, L","The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate","Journal of the American Chemical Society","1924","46","","2738","2751","10.1021/ja01677a019","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010087","9.1","","9.1","","9.1","","90","","90","","90","","753.6","","","","","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","AMMONIUM TRIOXOTRIFLUOROMOLYBDATE","","- F3 H12 Mo N3 O3 -","- F3 H12 Mo N3 O3 -","- F12 H48 Mo4 N12 O12 -","4","0.0416667","","Pauling, L","The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate","Journal of the American Chemical Society","1924","46","","2738","2751","10.1021/ja01677a019","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010088","5.481","","5.481","","5.481","","38.72","","38.72","","38.72","","57.9","","","","","","","","","","","","","2","R -3 m :R","-P 3* 2","166","","Sodium azide","","- N3 Na -","- N3 Na -","- N3 Na -","1","0.0833333","","Hendricks, S B; Pauling, L","The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group","Journal of the American Chemical Society","1925","47","","2904","2920","10.1021/ja01689a008","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010089","6.094","","6.094","","7.056","","90","","90","","90","","262","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Potassium azide","","- K N3 -","- K N3 -","- K4 N12 -","4","0.125","","Hendricks, S B; Pauling, L","The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group","Journal of the American Chemical Society","1925","47","","2904","2920","10.1021/ja01689a008","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010090","6.07","","6.07","","7.03","","90","","90","","90","","259","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Potassium cyanate","","- C K N O -","- C K N O -","- C4 K4 N4 O4 -","4","0.125","","Hendricks, S B; Pauling, L","The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group","Journal of the American Chemical Society","1925","47","","2904","2920","10.1021/ja01689a008","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010091","7.255","","4.795","","9.78","","90","","90","","90","","340.2","","","","","","","","","","","","","1","C m c a","-C 2ac 2","64","","Diiodine","","- I2 -","- I2 -","- I8 -","4","","","Harris, P M; Mack, E; Blake, F C","The Atomic Arrangement in the Crystal of Orthorhombic Iodine","Journal of the American Chemical Society","1928","50","","1583","1600","10.1021/ja01393a009","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010092","5.74","","5.74","","5","","90","","90","","90","","164.7","","","","","","","","","","","","","3","P -4","P -4","81","","Ammonium nitrate - II","","- H4 N2 O3 -","","","2","0.5","","Hendricks, S B; Posnjak, E; Kracek, F C","Molecular Rotation in the Solid State. The Variation of the Crystal Structure of Ammonium Nitrate with Temperature","Journal of the American Chemical Society","1932","54","","2766","2786","10.1021/ja01346a020","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010093","4.1684","0.001","4.1684","0.001","4.1684","0.001","90","","90","","90","","72.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Nickel oxide","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Cairns, R W; Ott, E","X-Ray Studies of the System Nickel-Oxygen-Water. I. Nickelous Oxide and Hydroxide","Journal of the American Chemical Society","1933","55","","527","533","10.1021/ja01329a013","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010094","9.07","","5.6","","7.23","","90","","90","","90","","367.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rubidium tetrafluoroborate","","- B F4 Rb -","- B F4 Rb -","- B4 F16 Rb4 -","4","0.5","","Hoard, J L; Blair, V","The Crystal Structures of Rubidium and Ammonium Fluoborates","Journal of the American Chemical Society","1935","57","","1985","1988","10.1021/ja01313a067","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010095","4.18","0.01","4.18","0.01","4.18","0.01","90","","90","","90","","73","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","NICKEL OXIDE","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Smith, N","The Structure of Thin Films of Metallic Oxides and Hydrates","Journal of the American Chemical Society","1936","58","","173","179","10.1021/ja01292a050","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010096","16.67","","4.48","","8.72","","90","","90","","90","","651.2","","","","","","","","","","","","","1","C m c a","-C 2ac 2","64","","Bromine","","- Br -","- Br -","- Br8 -","8","","","Vonnegut, B; Warren, B E","The Structure of Crystalline Bromine","Journal of the American Chemical Society","1936","58","","2459","2461","10.1021/ja01303a030","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010097","6.417","0.005","6.417","0.005","6.417","0.005","90","","90","","90","","264.2","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","MANGANESE(IV) SELENIDE","","- Mn Se2 -","- Mn Se2 -","- Mn4 Se8 -","4","0.166667","","Elliott, N","The Crystal Structure of Manganese Diselenide and Manganese Ditelluride","Journal of the American Chemical Society","1937","59","","1958","1962","10.1021/ja01289a049","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010098","6.88","0.01","6.88","0.01","11.1","0.05","90","","90","","120","","455","","","","","","","","","","","","","4","R -3 HR","","148","","AMMONIUM TRIHYDROGENHEXAOXOIODATE(VII)","","- H11 I N2 O6 -","- H19 I N2 O6 -","- H57 I3 N6 O18 -","3","","","Helmholz, L.","The Crystal Structure of Ammonium Trihydrogen Paraperiodate, (N H~4~)~2~ H~3~ I O~6~","Journal of the American Chemical Society","1937","59","","2036","2039","10.1021/ja01289a073","","","","","","","","","","","","","","","","","","","","","has coordinates","277832","2022-09-14","15:07:16",""
"1010099","9.365","0.01","9.365","0.01","9.365","0.01","90","","90","","90","","821.3","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium heptafluorozirconate","","- F7 H12 N3 Zr -","- F7 H12.25 N3 Zr -","- F28 H49 N12 Zr4 -","4","0.0208333","","Hampson, G C; Pauling, L","The Structure of Ammonium Heptafluozirconate and Potassium Heptafluozirconate and the Configuration of the Heptafluozirconate Group","Journal of the American Chemical Society","1938","60","","2702","2707","10.1021/ja01278a046","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010100","8.951","0.01","8.951","0.01","8.951","0.01","90","","90","","90","","717.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium heptafluorozirconate","","- F7 K3 Zr -","- F7 K3 Zr -","- F28 K12 Zr4 -","4","0.0208333","","Hampson, G C; Pauling, L","The Structure of Ammonium Heptafluozirconate and Potassium Heptafluozirconate and the Configuration of the Heptafluozirconate Group","Journal of the American Chemical Society","1938","60","","2702","2707","10.1021/ja01278a046","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010101","5.62","0.01","5.62","0.01","4.65","0.01","90","","90","","120","","127.2","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Potassium hexafluorogermanate","","- F6 Ge K2 -","- F6 Ge K2 -","- F6 Ge K2 -","1","0.0833333","","Hoard, J L; Vincent, W B","Structures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate","Journal of the American Chemical Society","1939","61","","2849","2852","10.1021/ja01265a082","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010102","5.85","0.01","5.85","0.01","4.775","0.01","90","","90","","120","","141.5","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ammonium hexafluorogermanate","","- F6 Ge H8 N2 -","- F6 Ge H8 N2 -","- F6 Ge H8 N2 -","1","0.0833333","","Hoard, J L; Vincent, W B","Ytructures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate","Journal of the American Chemical Society","1939","61","","2849","2852","10.1021/ja01265a082","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010103","16.55","","11.7","","8.68","","90","","90","","90","","1680.8","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Potassium octacyanomolybdate(IV) dihydrate","","- C8 H4 K4 Mo N8 O2 -","- C8 H4 K4 Mo N8 O2 -","- C32 H16 K16 Mo4 N32 O8 -","4","0.5","","Hoard, J. L.; Nordsieck, H. H.","The Structure of Potassium Molybdocyanide Dihydrate. The Configuration of the Molybdenum Octocyanide Group","Journal of the American Chemical Society","1939","61","10","2853","2863","10.1021/ja01265a083","","","","","","","","","","","","","","","","","","","","","has coordinates","205558","2020-10-21","18:00:00",""
"1010201","7.49","0.02","7.49","0.02","10.87","0.02","90","","90","","90","","609.8","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Dicaesium gold hexachloroaurate","","- Au2 Cl6 Cs2 -","- Au2 Cl6 Cs2 -","- Au4 Cl12 Cs4 -","2","0.0625","","Elliott, N; Pauling, L","The Crystal Structure of Cesium Aurous Auric Chloride, Vs~2~ Au Au Cl~6~, and Cesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~","Journal of the American Chemical Society","1938","60","","1846","1851","10.1021/ja01275a037","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010202","7.38","0.02","7.38","0.02","11.01","0.02","90","","90","","90","","599.7","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Dicaesium silver hexachloroaurate","","- Ag Au Cl6 Cs2 -","- Ag Au Cl6 Cs2 -","- Ag2 Au2 Cl12 Cs4 -","2","0.0625","","Elliott, N; Pauling, L","The Crystal Structure of Cesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~, and Cesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~","Journal of the American Chemical Society","1938","60","","1846","1851","10.1021/ja01275a037","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010203","8.38","0.02","5.97","0.02","8.41","0.02","90","","90","","90","","420.7","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Potassium dioxodifluoroiodate","","- F2 I K O2 -","- F2 I K O2 -","- F8 I4 K4 O8 -","4","1","","Helmholz, L; Rogers, M T","The Crystal Structure of Potassium Fluoroiodate, K I O~2~ F~2~","Journal of the American Chemical Society","1940","62","","1537","1542","10.1021/ja01863a058","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010204","11.73","0.02","11.73","0.02","6.76","0.02","90","","90","","120","","805.5","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Neodymium tris(bromate) nonahydrate","","- Br3 H18 Nd O18 -","- Br3 H18 Nd O18 -","- Br6 H36 Nd2 O36 -","2","0.166667","","Helmholz, L","The Crystal Structure of Neodymium Enneahydrate, Nd (Br O~3~)~3~ (H~2~ O)~9~","Journal of the American Chemical Society","1939","61","","1544","1550","10.1021/ja01875a062","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010205","4.75","","4.75","","4.75","","97.97","","97.97","","97.97","","103.7","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Barium hexafluorosilicate","","- Ba F6 Si -","- Ba F6 Si -","- Ba F6 Si -","1","0.0833333","","Hoard, J L; Vincent, W B","Structures of Complex Fluorides. Barium Fluorosilicate and Barium Fluorogermanate","Journal of the American Chemical Society","1940","62","","3126","3129","10.1021/ja01868a060","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010206","4.83","","4.83","","4.83","","98.02","","98.02","","98.02","","109","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Barium hexafluorogermanate","","- Ba F6 Ge -","- Ba F6 Ge -","- Ba F6 Ge -","1","0.0833333","","Hoard, J L; Vincent, W B","Structures of Complex Fluorides. Barium Fluorosilicate and Barium Fluorogermanate","Journal of the American Chemical Society","1940","62","","3126","3129","10.1021/ja01868a060","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010376","8.96","0.02","14.87","0.03","3.97","0.01","90","","90","","90","","528.9","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Ammonium trichlorocadmate","","- Cd Cl3 H4 N -","- Cd Cl3 H4 N -","- Cd4 Cl12 H16 N4 -","4","0.5","","Brasseur, H; Pauling, L","The Crystal Structure of Ammonium Cadmium Chloride, N H~4~ Cd Cl~3~","Journal of the American Chemical Society","1938","60","","2886","2890","10.1021/ja01279a016","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010377","6.56","","6.56","","6.56","","90","","90","","90","","282.3","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium chlorate","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","0.333333","","Dickinson, R G; Goodhue, E A","The Crystal Structures of Sodium Chlorate and Sodium Bromate","Journal of the American Chemical Society","1921","43","","2045","2055","10.1021/ja01442a008","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010378","6.71","","6.71","","6.71","","90","","90","","90","","302.1","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium bromate","","- Br Na O3 -","- Br Na O3 -","- Br4 Na4 O12 -","4","0.333333","","Dickinson, R G; Goodhue, E A","The Crystal Structures of Sodium Chlorate and Sodium Bromate","Journal of the American Chemical Society","1921","43","","2045","2055","10.1021/ja01442a008","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010379","9.843","","9.843","","9.843","","90","","90","","90","","953.6","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexachloroplatinate","","- Cl6 H8 N2 Pt -","- Cl6 H8 N2 Pt -","- Cl24 H32 N8 Pt4 -","4","0.0208333","","Wyckoff, R W G; Posnjak, E","The Crystal Structure of Ammonium Chloroplatinate","Journal of the American Chemical Society","1921","43","","2292","2309","10.1021/ja01444a002","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010380","5.67","","5.67","","6.81","","90","","90","","90","","218.9","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Potassium hydrogendifluoride","","- F2 H K -","- F2 H K -","- F8 H4 K4 -","4","0.125","","Helmholz, L; Rogers, M T","A Redetermination of the Fluorine - Fluorine Distance in Potassium Bifluoride","Journal of the American Chemical Society","1939","61","","2590","2592","10.1021/ja01265a005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010381","4.17","0.003","4.17","0.003","4.17","0.003","90","","90","","90","","72.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Nickel oxide","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Thomassen, L","An X-Ray Investigation of the System Cr~2~ O~3~ - Ni O","Journal of the American Chemical Society","1940","62","","1134","1135","10.1021/ja01862a037","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010389","10.21","","10.21","","10.21","","90","","90","","90","","1064.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexachlorogermanate","","- Cl6 Cs2 Ge -","- Cl6 Cs2 Ge -","- Cl24 Cs8 Ge4 -","4","0.0208333","","Laubengayer, A W; Billings, O B; Newkirk, A E","Chlorogermanic Acid and the Chlorogermanates. Properties and Crystal Structure of Cesium Hexachlorogermanate","Journal of the American Chemical Society","1940","62","","546","548","10.1021/ja01860a027","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010390","8.426","0.02","8.18","0.02","3.69","0.05","90","","90","","90","","254.3","","","","","","","","","","","","","3","P m a n","-P 2ab 2","53","","Ammonium hydrogen fluoride","","- F2 H5 N -","- F2 H5 N -","- F8 H20 N4 -","4","0.5","","Rogers, M T; Helmholz, L","A Redetermination of the Parameters in Ammonium Bifluoride","Journal of the American Chemical Society","1940","62","","1533","1536","10.1021/ja01863a057","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010391","6.094","","6.094","","7.056","","90","","90","","90","","262","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Potassium azide","","- K N3 -","- K N3 -","- K4 N12 -","4","0.125","","Frevel, L K","The Configuration of the Azide Ion","Journal of the American Chemical Society","1936","58","","779","782","10.1021/ja01296a028","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010392","5.481","","5.481","","5.481","","38.72","","38.72","","38.72","","57.9","","","","","","","","","","","","","2","R -3 m :R","-P 3* 2","166","","Sodium azide","","- N3 Na -","- N3 Na -","- N3 Na -","1","0.0833333","","Frevel, L K","The Configuration of the Azide Ion","Journal of the American Chemical Society","1936","58","","779","782","10.1021/ja01296a028","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010609","11.06","","11.06","","11.06","","90","","90","","90","","1352.9","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Tetraarsenic oxide","Arsenolite","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Bozorth, R M","The crystal structures of the cubic forms of arsenious and antimonous oxide","Journal of the American Chemical Society","1923","45","","1621","1627","10.1021/ja01660a006","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:00:08",""
"1010610","12.23","","12.23","","12.23","","90","","90","","90","","1829.3","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Tin(IV) iodide","","- I4 Sn -","- I4 Sn -","- I32 Sn8 -","8","0.333333","","Dickinson, R G","The crystal structure of tin tetraiodide","Journal of the American Chemical Society","1923","45","","958","962","10.1021/ja01657a014","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010623","9.26","","9.26","","9.26","","90","","90","","90","","794","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Disilver molybdate","","- Ag2 Mo O4 -","- Ag2 Mo O4 -","- Ag16 Mo8 O32 -","8","0.0416667","","Wyckoff, R W G","The crystal structure of silver molybdate","Journal of the American Chemical Society","1922","44","","1994","1997","10.1021/ja01430a017","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010624","5.322","","5.322","","11.93","","90","","90","","90","","337.9","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Sodium iodate(VII)","","- I Na O4 -","- I Na O2 -","- I4 Na4 O8 -","4","0.25","","Kirkpatrick, L M; Dickinson, R G","The crystal structure of sodium periodate","Journal of the American Chemical Society","1927","48","","2327","2334","10.1021/ja01420a011","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:55",""
"1010626","10.96","","10.96","","10.96","","90","","90","","90","","1316.5","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Nickel nitrate hexaammonia","","- H18 N8 Ni O6 -","- H3 N8 Ni O6 -","- H12 N32 Ni4 O24 -","4","0.166667","","Wyckoff, R W G","The composition and crystal structure of nickel nitrate hexammoniate","Journal of the American Chemical Society","1922","44","","1260","1266","10.1021/ja01427a010","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010849","5.93","","4.65","","6.36","","90","","105.78","","90","","168.8","","","","","","","","","","","","","3","","","","","Pentakis(lead oxide) dihydrate","","- H4 O7 Pb5 -","","","1","","","Clark, G L; Tyler, W P","On Lead Oxides. II. Hydrous, Normal and Active Lead Monoxides","Journal of the American Chemical Society","1939","61","","58","65","10.1021/ja01870a016","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010850","12.238","0.001","12.238","0.001","12.238","0.001","90","","90","","90","","1832.9","","","","","","","","","","","","","5","","","","","Thallium chromium sulfate dodecahydrate","","- Cr H24 O20 S2 Tl -","","","","","","Klug, H P","Crystal-Chemical Studies of the Alums. II. The Purple Chrome Alums","Journal of the American Chemical Society","1940","62","","2992","2993","10.1021/ja01868a027","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010851","8.382","","36.125","0.008","10.464","","90","","116","0.1","90","","2847.8","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ammonium heptamolybdate tetrahydrate","","- H32 Mo7 N6 O28 -","","","4","1","","Sturdivant, J H","The Formula of Ammonium Paramolybdate","Journal of the American Chemical Society","1937","59","","630","631","10.1021/ja01283a010","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010854","10.09","","10.09","","10.09","","90","","90","","90","","1027.2","","","","","","","","","","","","","4","F m -3","-F 2 2 3","202","","Hexaamminenickel chloride","","- Cl2 H18 N6 Ni -","","","4","0.0416667","","Wyckoff, R W G","The crystal structures of the hexaammoniates of the nickel halides","Journal of the American Chemical Society","1922","44","","1239","1245","10.1021/ja01427a007","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010855","10.48","","10.48","","10.48","","90","","90","","90","","1151","","","","","","","","","","","","","4","","","","","Hexaamminenickel bromide","","- Br2 H18 N6 Ni -","","","4","","","Wyckoff, R W G","The crystal structures of the hexaammoniates of the nickel halides","Journal of the American Chemical Society","1922","44","","1239","1245","10.1021/ja01427a007","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010856","11.01","","11.01","","11.01","","90","","90","","90","","1334.6","","","","","","","","","","","","","4","","","","","Hexaamminenickel iodide","","- H18 I2 N6 Ni -","","","4","","","Wyckoff, R W G","The crystal structures of the hexaammoniates of the nickel halides","Journal of the American Chemical Society","1922","44","","1239","1245","10.1021/ja01427a007","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010914","5.12","0.01","5.12","0.01","5.12","0.01","55.28","","55.28","","55.28","","84.5","","","","","","","","","","","","Ceylon","2","R -3 c :R","-P 3* 2n","167","","Aluminium oxide","Corundum","- Al2 O3 -","- Al2 O3 -","- Al4 O6 -","2","0.166667","","Pauling, L; Hendricks, S B","Crystal Structures of Hematite and Corundum","Journal of the American Chemical Society","1925","47","","781","790","10.1021/ja01680a027","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:00:08",""
"1010928","6.36","","6.36","","6.36","","46.1","","46.1","","46.1","","121.9","","","","","","","","","","","","","3","R -3 c RS","-P 3* 2n","167","","Calcium carbonate","Calcite","- C Ca O3 -","- C Ca O3 -","- C2 Ca2 O6 -","2","","","Elliott, N","A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate","Journal of the American Chemical Society","1937","59","","1380","1382","10.1021/ja01286a065","","","","","","","","","","","","","","","","","","","","","has coordinates","205139","2020-10-21","18:00:00",""
"1010929","5.228","","5.228","","5.228","","90","","90","","90","","142.9","","","","","","","","","","","","from French Creek, Pa.","3","F -4 3 m","F -4 2 3","216","","Copper iron sulfide","Chalcopyrite","- Cu Fe S2 -","- Cu Fe S2 -","- Cu2 Fe2 S4 -","2","0.0208333","","Burdick, C L; Ellis, J H","The Crystal Structure of Chalcopyrite Determined by X-Rays","Journal of the American Chemical Society","1917","39","","2519","2525","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010977","3.99","","3.99","","5.01","","90","","90","","90","","79.8","","","","","","","","","","","","synthetic from melt with KOH","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Lead oxide","Litharge","- O Pb -","- O Pb -","- O2 Pb2 -","2","0.125","","Dickinson, R G; Friauf, J B","The crystal structure of tetragonal lead monoxide","Journal of the American Chemical Society","1924","46","","2457","2462","10.1021/ja01676a015","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010991","5.501","","5.501","","5.501","","90","","90","","90","","166.5","","","","","","","","","","","","synthetic by reduction of CuCl2","2","F -4 3 m","F -4 2 3","216","","Copper(I) chloride","Nantokite","- Cl Cu -","- Cl Cu -","- Cl4 Cu4 -","4","0.0416667","","Wyckoff, R W G; Posnjak, E","The Crystal Structures of the Cuprous Halides","Journal of the American Chemical Society","1922","44","","30","36","10.1021/ja01422a005","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010992","8.38","","8.38","","8.38","","90","","90","","90","","588.5","","","","","","","","","","","","synthetic","4","F m -3 m","-F 4 2 3","225","","Ammonium hexafluorosilicate","Cryptohalite","- F6 H8 N2 Si -","- F6 H8 N2 Si -","- F24 H32 N8 Si4 -","4","0.0208333","","Bozorth, R M","The Crystal Structure of Ammonium Fluosilicate","Journal of the American Chemical Society","1922","44","","1066","1070","10.1021/ja01426a018","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010993","3.15","0.02","3.15","0.02","12.3","0.07","90","","90","","120","","105.7","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Molybdenum disulfide","Molybdenite","- Mo S2 -","- Mo S2 -","- Mo2 S4 -","2","0.0833333","","Dickinson, R G; Pauling, L","The Crystal Structure of Molybdenite","Journal of the American Chemical Society","1923","45","","1466","1471","10.1021/ja01659a020","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010994","8.353","0.005","8.353","0.005","5.051","0.01","90","","90","","90","","352.4","","","","","","","","","","","","synthetic","2","P 42/m b c","-P 4c 2ab","135","","Selenium oxide","Downeyite","- O2 Se -","- O2 Se -","- O16 Se8 -","8","0.5","","McCullough, J D","The Crystal Structure of Selenium Dioxide","Journal of the American Chemical Society","1937","59","","789","794","10.1021/ja01284a004","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011029","6.32","","6.32","","6.32","","47.25","","47.25","","47.25","","124.5","","","","","","","","","","","","synthetic","3","R -3 c :R","-P 3* 2n","167","","Sodium nitrate","Nitratine","- N Na O3 -","- N Na O3 -","- N2 Na2 O6 -","2","0.166667","","Elliott, N","A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate","Journal of the American Chemical Society","1937","59","","1380","1382","10.1021/ja01286a065","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:55",""
"1011030","8.299","0.003","8.299","0.003","8.299","0.003","90","","90","","90","","571.6","","","","","","","","","","","","synthetic in KCl flux at 1273 K","3","F d -3 m :1","F 4d 2 3 -1d","227","","Nickel dichromium oxide","Nichromite","- Cr2 Ni O4 -","- Cr2 Ni O4 -","- Cr16 Ni8 O32 -","8","0.0416667","","Thomassen, L","An X-Ray Investigation of the System Cr2 O3 - Ni O","Journal of the American Chemical Society","1940","62","","1134","1136","10.1021/ja01862a037","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011031","4.358","","4.358","","4.358","","90","","90","","90","","82.8","","","","","","","","","","","","synthetic","2","F -4 3 m","F -4 2 3","216","","Silicon carbide","Moissanite 3C","- C Si -","- C Si -","- C4 Si4 -","4","0.0416667","","Burdick, C L; Owen, E A","The Atomic Structure of Carborundum Determined by X-Rays","Journal of the American Chemical Society","1918","40","","1749","1759","10.1021/ja02245a001","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1011065","7.45","","7.45","","7.88","","90","","90","","90","","437.4","","","","","","","","","","","","synthetic","5","P 42/m n m","-P 4n 2n","136","","Potassium tetrachlorocuprate dihydrate","Mitscherlichite","- Cl4 Cu H4 K2 O2 -","- Cl4 Cu H4 K2 O2 -","- Cl8 Cu2 H8 K4 O4 -","2","0.125","","Hendricks, S B; Dickinson, R G","The Crystal Structure of ammonium, potassium and rubidium cupric chloride dihydrates","Journal of the American Chemical Society","1927","49","","2149","2162","10.1021/ja01408a005","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011075","4.92","","4.92","","11.64","","90","","90","","90","","281.8","","","","","","","","","","","","synthetic","2","I -4 m 2","I -4 -2","119","","Dimercury(I) iodide","Moschelite","- Hg2 I2 -","- Hg2 I2 -","- Hg4 I4 -","2","0.125","","Huggins, M L; Magill, P L","The crystal stuctures of mercuric and mercurous iodides","Journal of the American Chemical Society","1927","49","","2357","2367","10.1021/ja01409a003","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011076","4.47","","4.47","","10.89","","90","","90","","90","","217.6","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Mercury(I) chloride","Calomel","- Cl2 Hg2 -","- Cl2 Hg2 -","- Cl4 Hg4 -","2","0.0625","","Havighurst, R J","Parameters in crystal structure. The mercurous halides","Journal of the American Chemical Society","1926","48","","2113","2130","10.1021/ja01419a016","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011077","4.66","","4.66","","11.12","","90","","90","","90","","241.5","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Mercury(I) bromide","Kuzminite","- Br2 Hg2 -","- Br2 Hg2 -","- Br4 Hg4 -","2","0.125","","Havighurst, R J","Parameters in crystal structure. The mercurouos halides","Journal of the American Chemical Society","1926","48","","2113","2131","10.1021/ja01419a016","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011078","4.92","","4.92","","11.61","","90","","90","","90","","281","","","","","","","","","","","","synthetic","2","P 42/m n m","-P 4n 2n","136","","Mercury(I) iodide","Moschelite","- Hg2 I2 -","- Hg2 I2 -","- Hg4 I4 -","2","0.125","","Havighurst, R J","Parameters in crystal structure. The mercurous halides","Journal of the American Chemical Society","1926","48","","2113","2125","10.1021/ja01419a016","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011079","4.928","","5.438","","5.732","","90","","90","","90","","153.6","","","","","","","","","","","","","3","P n m m :1","P 2bc 2 -1bc","59","","Ammonium nitrate - phase IV","Nitrammite","- H4 N2 O3 -","- H4 N2 O3 -","- H8 N4 O6 -","2","0.25","","West, C. D.","The crystal structure of rhombic ammonium nitrate","Journal of the American Chemical Society","1932","54","6","2256","2260","10.1021/ja01345a013","","","","","","","","","","","","","","","","","","","","","has coordinates","188421","2020-10-21","18:00:00",""
"1011129","3.868","","3.868","","3.868","","90","","90","","90","","57.9","","","","","","","","","","","","ammoniac - synthetic","3","P m -3 m","-P 4 2 3","221","","Ammonium chloride - $-alpha","Salammoniac","- Cl H4 N -","- Cl H4 N -","- Cl H4 N -","1","0.0208333","","Bartlett, G; Langmuir, I","The crystal structure of the ammonium halides above and below the transition temperature","Journal of the American Chemical Society","1921","43","","84","91","10.1021/ja01434a010","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011130","6.533","","6.533","","6.533","","90","","90","","90","","278.8","","","","","","","","","","","","ammoniac high - synthetic","3","F m -3 m","-F 4 2 3","225","","Ammonium chloride - $-beta","Salammoniac","- Cl H4 N -","- Cl H4 N -","- Cl4 H16 N4 -","4","0.0208333","","Bartlett, G; Langmuir, I","The crystal structure of the ammonium halides above and below the transition temperature","Journal of the American Chemical Society","1921","43","","84","91","10.1021/ja01434a010","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011131","4.4","","4.4","","4.4","","90","","90","","90","","85.2","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ammonium nitrate(V) - I","","- H4 N2 O3 -","- H4.5 N2 O3 -","- H4.5 N2 O3 -","1","0.0208333","","Hendricks, S B; Posnjak, E; Kracek, F C","Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature","Journal of the American Chemical Society","1932","54","","2766","2786","10.1021/ja01346a020","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011132","7.06","","7.66","","5.8","","90","","90","","90","","313.7","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Ammonium nitrate(V) - III","","- H4 N2 O3 -","- H4 N2 O3 -","- H16 N8 O12 -","4","0.5","","Hendricks, S B; Posnjak, E; Kracek, F C","Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature","Journal of the American Chemical Society","1932","54","","2766","2786","10.1021/ja01346a020","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011133","5.75","","5.45","","4.96","","90","","90","","90","","155.4","","","","","","","","","","","","","3","P m m n :1","P 2 2ab -1ab","59","","Ammonium nitrate(V) - IV","","- H4 N2 O3 -","- H4 N2 O3 -","- H8 N4 O6 -","2","0.25","","Hendricks, S B; Posnjak, E; Kracek, F C","Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature","Journal of the American Chemical Society","1932","54","","2766","2786","10.1021/ja01346a020","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011134","3.114","0.005","3.114","0.005","4.617","0.005","90","","90","","120","","38.8","","","","","","","","","","","","synthetic","3","P -3 m 1","-P 3 2""","164","","Nickel hydroxide","Theophrastite","- H2 Ni O2 -","- H3 Ni O2 -","- H3 Ni O2 -","1","0.0833333","","Cairns, R W; Ott, E","X-ray studies of the system nickel-oxygen-water. I. Nickelous oxide and hydroxide","Journal of the American Chemical Society","1933","55","","527","533","10.1021/ja01329a013","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011135","9.06","","5.64","","7.23","","90","","90","","90","","369.4","","","","","","","","","","","","synthetic from solution","4","P n m a","-P 2ac 2n","62","","Ammonium tetrafluoroborate","Barberiite","- B F4 H4 N -","- B F4 H4 N -","- B4 F16 H16 N4 -","4","0.5","","Hoard, J L; Blair, V","The crystal structures of rubidium and ammonium fluoborates","Journal of the American Chemical Society","1935","57","","1985","1988","10.1021/ja01313a067","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011170","5.47","","5.47","","12.08","","90","","90","","90","","361.4","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Lead molybdate","Wulfenite","- Mo O4 Pb -","- Mo O Pb -","- Mo4 O4 Pb4 -","4","0.25","","Dickinson, R G","The crystal structure of wulfenite and scheelite","Journal of the American Chemical Society","1920","42","","85","93","10.1021/ja01446a012","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011171","5.62","","5.62","","11.4","","90","","90","","90","","360.1","","","","","","","","","","","","from Korea","3","I 41/a :1","I 4bw -1bw","88","","Calcium tungstate","Scheelite","- Ca O4 W -","- Ca O W -","- Ca4 O4 W4 -","4","0.25","","Dickinson, R G","The crystal structure of wulfenite and scheelite","Journal of the American Chemical Society","1920","42","","85","93","10.1021/ja01446a012","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011218","11.14","","11.14","","11.14","","90","","90","","90","","1382.5","","","","","","","","","","","","from Mont Hamimat, Algeria","2","F d -3 m :1","F 4d 2 3 -1d","227","","Tetraantimony oxide","Senarmontite","- O6 Sb4 -","- O6 Sb4 -","- O48 Sb32 -","8","0.0416667","","Bozorth, R M","The crystal structures of the cubic forms of arsenious and antimonous oxides","Journal of the American Chemical Society","1923","45","","1621","1627","10.1021/ja01660a006","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:00:08",""
"1011239","6.1","","6.1","","6.1","","90","","90","","90","","227","","","","","","","","","","","","synthetic","2","F -4 3 m","F -4 2 3","216","","Copper(I) iodide","Marshite","- Cu I -","- Cu I -","- Cu4 I4 -","4","0.0416667","","Wyckoff, R W G; Posnjak, E","The crystal structures of the cuprous halides","Journal of the American Chemical Society","1922","44","","30","36","10.1021/ja01422a005","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011240","5.43","","5.43","","5.43","","55.28","","55.28","","55.28","","100.8","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","Iron(III) oxide","Hematite","- Fe2 O3 -","- Fe2 O3 -","- Fe4 O6 -","2","0.166667","","Pauling, L; Hendricks, S B","The Structure of Hematite","Journal of the American Chemical Society","1925","47","","781","790","10.1021/ja01680a027","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011300","3.988","","3.988","","3.988","","90","","90","","90","","63.4","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ammonium bromide","","- Br H4 N -","- Br H4 N -","- Br H4 N -","1","0.0208333","","Bartlett, G; Langmuir, I","The crystal structure of the ammonium halides above and below the transition temperature","Journal of the American Chemical Society","1921","43","","84","91","10.1021/ja01434a010","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011352","6.943","0.002","6.943","0.002","6.943","0.002","90","","90","","90","","334.7","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Manganese(IV) telluride","","- Mn Te2 -","- Mn Te2 -","- Mn4 Te8 -","4","0.166667","","Elliott, N","The crystal structure of manganese diselenide and manganese ditelluride","Journal of the American Chemical Society","1937","59","","1958","1962","10.1021/ja01289a049","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100027","5.1396","","5.1396","","5.1396","","90","","90","","90","","135.8","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Strontium oxide","","- O Sr -","- O Sr -","- O4 Sr4 -","4","0.0208333","","Primak, W; Kaufman, H; Ward, R","X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors","Journal of the American Chemical Society","1948","70","","2043","2046","10.1021/ja01186a018","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1100166","17.417","0.003","21.402","0.004","11.298","0.002","90","","117.15","0.03","90","","3747.4","1.2","546","2","546","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44.75 H32 Ag O2 P2 -","- C44.82 H32 Ag O2 P2 -","- C179.28 H128 Ag4 O8 P8 -","4","0.5","","Norie Momiyama; Hisashi Yamamoto","Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity","Journal of the American Chemical Society","2004","126","","5360","5361","10.1021/ja039103i","","","0.71073","MoKα","","0.0963","0.094","","","0.3306","0.3336","","","","","","1.587","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100178","7.842","0.001","12.127","0.001","12.973","0.001","65.76","0.01","86.43","0.01","81.31","0.01","1112.04","","","","223","","","","","","","","","4","P -1","-P 1","2","","3-(Diphenylmethyl)pent-2-yl 3,5-dinitrobenzoate","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C50 H48 N4 O12 -","2","1","","Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul","Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules","Journal of the American Chemical Society","2000","122","41","10218","10219","10.1021/ja001283y","","","","","","","4.44","","","4.44","","","","","","","","","","","has coordinates","176899","2020-10-21","18:00:00",""
"1100179","23.056","0.001","23.056","0.001","7.325","0.001","90","","90","","120","","3372.15","","","","223","","","","","","","","","3","R 3 :H","R 3","146","","3,4-Diphenylhexan-2-ol","","- C18 H22 O -","- C18 H22 O -","- C162 H198 O9 -","9","1","","Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul","Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules","Journal of the American Chemical Society","2000","122","41","10218","10219","10.1021/ja001283y","","","","","","","3.05","","","3.05","","","","","","","","","","","has coordinates","176899","2020-10-21","18:00:00",""
"1100180","22.864","0.001","22.864","0.001","7.229","0.001","90","","90","","120","","3272.75","","","","223","","","","","","","","","3","R 3 :H","R 3","146","","3,4-Diphenylpentan-2-ol","","- C17 H20 O -","- C17 H20 O -","- C153 H180 O9 -","9","1","","Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul","Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules","Journal of the American Chemical Society","2000","122","41","10218","10219","10.1021/ja001283y","","","","","","","4.89","","","4.89","","","","","","","","","","","has coordinates","176899","2020-10-21","18:00:00",""
"1100289","9.191","0.001","16.567","0.002","11.465","0.004","90","","101.93","0.02","90","","1708.04","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","2","","Tietze, Lutz F.; Brand, Siegbert; Pfeiffer, Thomas; Antel, Jochen; Harms, Klaus; Sheldrick, George M.","Intra- and intermolecular hetero-Diels-Alder reactions. 15. Asymmetric induction in Grignard and hetero-Diels-Alder reactions of chiral α,β-unsaturated carbonyl compounds","Journal of the American Chemical Society","1987","109","3","921","923","10.1021/ja00237a060","","","","","","","","","","","","","","","","","","","","","has coordinates","177985","2020-10-21","18:00:00",""
"1100296","11.493","0.003","9.567","0.002","19.636","0.003","90","","93.18","0.02","90","","2155.72","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Li N O -","- C20.5 Li2.5 N3 O2 -","- C164 Li20 N24 O16 -","8","2","","Boche, Gernot; Harms, Klaus; Marsch, Michael","X-ray structure determination of [1-cyano-2,.2-dimtheylcyclopropyllithium·tetrahydrofuran]~∞~: a tetrahedral anionic α-cyano carbon atom","Journal of the American Chemical Society","1988","110","20","6925","6926","10.1021/ja00228a073","","","","","","","","","","","","","","","","","","","","","has coordinates","177986","2020-10-21","18:00:00",""
"1100358","19.69","0.03","11.788","0.002","19.56","0.02","90","","101.28","0.05","90","","4452.29","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H37 Li N2 Si2 -","- C15 H37 Li N2 Si2 -","- C120 H296 Li8 N16 Si16 -","8","1","","Boche, Gernot; Fraenkel, Gideon; Cabral, Jose; Harms, Klaus; Van Eikema Hommes, Nicolaas J. R.; Lohrenz, John; Marsch, Michael; Schleyer, Paul v. R.","exo,exo-[1,3-Bis(trimethylsilyl)allyl]lithium-N,N,N',N'-tetramethylethylenediamine complex: crystal structure and dynamics in solution","Journal of the American Chemical Society","1992","114","5","1562","1565","10.1021/ja00031a004","","","","","","","","","","","","","","","","","","","","","has coordinates","177987","2020-10-21","18:00:00",""
"1100374","16.01","0.003","9.727","0.002","16.193","0.003","90","","102.11","0.03","90","","2465.61","","","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C25 H25 Fe P5 -","- C49 H49 Fe P9 -","- C196 H196 Fe4 P36 -","4","1","","Elschenbroich, Christoph; Nowotny, Mathias; Behrendt, Andreas; Harms, Klaus; Wocadlo, Sigrid; Pebler, Juergen","Pentakis(η^1^-phosphinine)iron: Synthesis, Structure, and Mode of Formation","Journal of the American Chemical Society","1994","116","14","6217","6219","10.1021/ja00093a022","","","","","","","","","","","","","","","","","","","","","has coordinates","177610","2020-10-21","18:00:00",""
"1100430","6.993","0.001","16.539","0.001","9.554","0.001","90","","104.6","0.01","90","","1069.31","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 D O2 V -","- C13 H11 D O2 V -","- C52 H44 D4 O8 V4 -","4","1","","Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K.","Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH)","Journal of the American Chemical Society","1997","119","32","7452","7457","10.1021/ja964445s","","","","","","","","","","","","","","","","","","","","","has coordinates","177993","2020-10-21","18:00:00",""
"1100431","6.98","0.001","16.541","0.001","9.544","0.001","90","","104.6","0.01","90","","1066.33","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 O2 V -","- C13 H12 O2 V -","- C52 H48 O8 V4 -","4","1","","Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K.","Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH)","Journal of the American Chemical Society","1997","119","32","7452","7457","10.1021/ja964445s","","","","","","","","","","","","","","","","","","","","","has coordinates","177993","2020-10-21","18:00:00",""
"1100432","13.534","0.001","23.276","0.001","13.582","0.001","90","","104.34","0.01","90","","4145.26","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O3 V2 -","- C26 H22 O3 V2 -","- C208 H176 O24 V16 -","8","2","","Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K.","Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH)","Journal of the American Chemical Society","1997","119","32","7452","7457","10.1021/ja964445s","","","","","","","","","","","","","","","","","","","","","has coordinates","177993","2020-10-21","18:00:00",""
"1100463","8.973","0.001","6.542","0.001","17.092","0.001","90","","90","","90","","1003.32","","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H10 I N3 -","- C8 H10 I N3 -","- C32 H40 I4 N12 -","4","0.5","","Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph","Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes","Journal of the American Chemical Society","1996","118","","4925","4930","10.1021/ja9536274","","","0.71073","MoKα","","0.0355","0.027","","0.0815","0.0732","","","","1.048","1.064","1.064","","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100464","26.993","0.004","5.599","0.001","15.917","0.002","90","","105.44","0.01","90","","2318.78","","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 I N3 -","- C10 H12 I N3 -","- C80 H96 I8 N24 -","8","1","","Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph","Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes","Journal of the American Chemical Society","1996","118","","4925","4930","10.1021/ja9536274","","","0.71073","MoKα","","0.0302","0.0193","","0.0522","0.0485","","","","1.06","1.075","1.075","","","","","has coordinates","177988","2020-10-21","18:00:00",""
"1100502","10.363","0.002","10.397","0.002","12.137","0.002","92.88","0.01","109.44","0.01","104.47","0.01","1181.21","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H48 Cl6 N2 O10 Ti2 -","- C23 H48 Cl6 N2 O10 Ti2 -","- C46 H96 Cl12 N4 O20 Ti4 -","2","1","","Boche, Gernot; Möbus, Konrad; Harms, Klaus; Marsch, Michael","[((η^2^-tert-Butylperoxo)titanatrane)~2~ · 3 Dichloromethane]: X-ray Crystal Structure and Oxidation Reactions","Journal of the American Chemical Society","1996","118","11","2770","2771","10.1021/ja954308f","","","","","","","","","","","","","","","","","","","","","has coordinates","177983","2020-10-21","18:00:00",""
"1100584","8.145","0.001","11.17","0.001","13.241","0.001","105.19","0.01","106.46","0.01","101.38","0.01","1065.85","0.18","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C48 H60 N4 O10 -","2","1","","Bach, Thorsten; Bergmann, Hermann; Harms, Klaus","High Facial Diastereoselectivity in the Photocycloaddition of a Chiral Aromatic Aldehyde and an Enamide Induced by Intermolecular Hydrogen Bonding","Journal of the American Chemical Society","1999","121","","10650","10651","10.1021/ja992209m","","","1.54178","CuKα","","0.0745","0.0483","","","0.1135","0.127","","","","","","1.047","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100873","12.6218","0.0005","13.3776","0.0005","14.3654","0.0005","92.678","0.001","91.051","0.001","109.958","0.001","2275.91","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 O13 P Pt Ru5 -","- C38 H42 O13 P Pt Ru5 -","- C76 H84 O26 P2 Pt2 Ru10 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)]","Journal of the American Chemical Society","2004","126","10","3042","3043","10.1021/ja049955y","","","0.71073","MoKα","","0.0578","0.0454","","","0.1139","0.1227","","","","","","1.037","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100918","8.638","","13.833","","9.537","","90","","99.06","","90","","1125.35","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N6 O4 -","- C19 H25 Co N6 O4 -","- C38 H50 Co2 N12 O8 -","2","1","","Yuji Ohashi; Kazunori Yanagi; Toshiharu Kurihara; Yoshio Sasada; Yoshiaki Ohgo","Crystalline state reaction of cobaloxime complexes by x-ray exposure. 1. Direct observation of cobalt-carbon bond cleavage in [(R)-1-cyanoethyl][(S)-(-)-.alpha.-methylbenzylamine] bis(dimethylglyoximato)cobalt(III)","Journal of the American Chemical Society","1981","103","","5805","5812","10.1021/ja00409a031","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101222","16.7942","0.0001","16.7942","0.0001","16.7942","0.0001","90","","90","","90","","4736.72","0.05","293","2","293","2","","","","","","","","7","P -4 3 n","P -4n 2 3","218","MIL-74","","","- C24 H118 Al6 N16 O65 P12 Zn3 -","- C24 Al6.504 N16 O65 P12 Zn2.496 -","- C48 Al13.008 N32 O130 P24 Zn4.992 -","2","0.0833333","","Lionel Beitone; Clarisse Huguenard; Axel Gansmüller; Marc Henry; Francis Taulelle; Thierry Loiseau; Gérard Férey","Order-Disorder in the Super-Sodalite Zn3Al6(PO4)12, 4tren, 17H2O (MIL-74): A Combined XRD-NMR Assessment","Journal of the American Chemical Society","2003","125","","9102","9110","10.1021/ja0294818","","","0.71073","MoKα","","0.0532","0.0404","","","0.1014","0.1091","","","","","","1.176","","","","has coordinates","277831","2022-09-14","14:31:33",""
"1101223","46.324","0.005","42.268","0.004","41.896","0.004","90","","112.549","0.002","90","","75763","13","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- H1262 K43 Mo214 Na11 O1404 S12 V34 -","- K21 Mo213.6 O1002.72 S12 V30 -","- K42 Mo427.2 O2005.44 S24 V60 -","2","0.25","","Botar, Bogdan; Kögerler, Paul; Hill, Craig L.","A Nanoring‒Nanosphere Molecule, {Mo~214~V~30~}: Pushing the Boundaries of Controllable Inorganic Structural Organization at the Molecular Level","Journal of the American Chemical Society","2006","128","16","5336","5337","10.1021/ja060886s","","","0.71073","MoKα","","0.1577","0.0998","","","0.2731","0.3412","","","","","","1.044","","","","has coordinates","178224","2020-10-21","18:00:00",""
"1516253","4.789","0.005","12.683","0.014","16.599","0.016","90","","71.26","0.03","90","","954.8","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe-radical-100K-cell-II","","","- C6 H3 F N3 S4 -","- C6 H3 F N3 S4 -","- C24 H12 F4 N12 S16 -","4","1","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","","","0.71073","MoKα","","0.1174","0.0838","","","0.193","0.2044","","","","","","1.285","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516254","17.301","0.003","4.0582","0.0007","26.249","0.004","90","","92.074","0.004","90","","1841.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","FBPMe-alpha","","","- C6 H3 F N3 S4 -","- C6 H3 F N3 S4 -","- C48 H24 F8 N24 S32 -","8","2","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","","","0.71073","MoKα","","0.0692","0.0526","","","0.0993","0.1076","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516255","4.6011","0.0007","12.7317","0.0019","15.9122","0.0019","90","","78.949","0.004","90","","914.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe-beta","","","- C12 H6 F2 N6 S8 -","- C12 H6 F2 N6 S8 -","- C24 H12 F4 N12 S16 -","2","0.5","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","","","0.71073","MoKα","","0.0774","0.0486","","","0.0758","0.0892","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516256","4.12168","0.00024","13.2722","0.0011","14.8586","0.001","90","","84.318","0.005","90","","808.83","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe","","","- C12 H6 F2 N6 S8 -","- C12 H6 F2 N6 S8 -","- C24 H12 F4 N12 S16 -","2","0.5","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","powder diffraction","x-ray","0.50918","synchrotron","","","","","","","","0.17464","","0.54","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516257","4.789","0.005","12.683","0.014","16.281","0.016","90","","74.89","0.03","90","","954.7","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe-radical-100K-cell-I","","","- C6 H3 F N3 S4 -","- C6 H3 F N3 S4 -","- C24 H12 F4 N12 S16 -","4","1","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","","","0.71073","MoKα","","0.1175","0.0838","","","0.1932","0.2046","","","","","","1.286","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516258","3.86543","0.00033","13.4994","0.0021","14.4694","0.0012","90","","86.261","0.007","90","","753.42","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe","","","- C12 H6 F2 N6 S8 -","- C12 H6 F2 N6 S8 -","- C24 H12 F4 N12 S16 -","2","0.5","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","powder diffraction","x-ray","0.50918","synchrotron","","","","","","","","0.36353","","0.46","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520022","5.8119","0.0015","10.51","0.003","18.411","0.005","90","","90","","90","","1124.6","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","","Sai, Masahiro; Yamamoto, Hisashi","Chiral Brønsted Acid as a True Catalyst: Asymmetric Mukaiyama Aldol and Hosomi-Sakurai Allylation Reactions.","Journal of the American Chemical Society","2015","137","22","7091","7094","10.1021/jacs.5b04168","","","0.71075","MoKα","","","0.0613","","","","0.1186","","","","","","1.036","","","","has coordinates","140108","2020-10-21","18:00:00",""
"2000026","15.0562","0.001","16.2762","0.001","20.488","0.0013","88.98","0.002","74.256","0.002","78.297","0.002","4728.23","","","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H156 P6 S8 W6 -","- C85 H155 P6 S8 W6 -","- C170 H310 P12 S16 W12 -","2","1","","Jin, Song; Adamchuk, Jennifer; Xiang, Bosong; DiSalvo, Francis J.","The Dean-Evans Relation in ^31^P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters","Journal of the American Chemical Society","2002","124","31","9229","9240","10.1021/ja0257873","","","","","","","0.0498","","","0.0498","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000043","16.1816","0.0004","15.9178","0.0004","29.4907","0.0008","90","","91.4768","0.001","90","","7593.56","","","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H98 N5 P S8 W6 -","- C77 H122 N5 P S8 W6 -","- C308 H488 N20 P4 S32 W24 -","4","1","","Jin, Song; Adamchuk, Jennifer; Xiang, Bosong; DiSalvo, Francis J.","The Dean-Evans Relation in ^31^P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters","Journal of the American Chemical Society","2002","124","31","9229","9240","10.1021/ja0257873","","","","","","","0.0571","","","0.0571","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000044","15.8389","0.0012","19.4806","0.0014","20.0882","0.0015","90","","95.542","0.002","90","","6169.27","","","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H86 N2 P4 S8 W6 -","- C42 H86 N2 P4 S8 W6 -","- C168 H344 N8 P16 S32 W24 -","4","1","","Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo","The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters","Journal of the American Chemical Society","2002","124","","9229","9240","","","","","","","","0.0388","","","0.0388","","","","","","","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2000045","12.024","0.003","21.356","0.005","25.107","0.005","112.39","0.02","92.58","0.02","90.68","0.03","5952.08","","","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H83 N2 P5 S8 W6 -","- C40 H83 N2 P5 S8 W6 -","- C160 H332 N8 P20 S32 W24 -","4","2","","Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo","The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters","Journal of the American Chemical Society","2002","124","","9229","9240","10.1021/ja0257873","","","","","","","0.0712","","","0.0712","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:42",""
"2000099","18.128","0.007","20.224","0.007","26.221","0.009","101.3","0.02","104.07","0.02","102.37","0.02","8790.67","","","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C94.5 H96.5 B2 N6.5 Ni2 O7 S2 -","- C97 H82 B2 N6.5 Ni2 O4.5 S2 -","- C388 H328 B8 N26 Ni8 O18 S8 -","4","2","","Catherine Belle; Catherine Bougault; Marie-Thérèse Averbuch; André Durif; Jean-Louis Pierre; Jean-Marc Latour; Laurent Le Pape","Paramagnetic NMR Investigations of High-Spin Nickel(II) Complexes. Controlled Synthesis, Structural, Electronic, and Magnetic Properties of Dinuclear vs Mononuclear Species","Journal of the American Chemical Society","2001","123","33","8053","8066","10.1021/ja010342k","","","","","","","0.0576","","","0.0576","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"3000497","7.078","","11.743","","34.698","","90","","91.41","","90","","2883.12","","79","","79","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Cl3 N7 O5 -","- C24 H26 Cl3 N7 O5 -","- C96 H104 Cl12 N28 O20 -","4","1","","Kawamoto, Akihiro; Kojima Chojiro; Kurisu, Genji; Nakane, Takanori; Nakatani Kazuhiko; Sakurabayashi Shuhei","","Journal of the American Chemical Society","2025","","","","","10.1021/jacs.4c17538","","","0.02508","electron","","0.2307","0.2149","","","0.5817","0.5835","","","","","","2.722","","","","has coordinates","299430","2025-04-28","08:37:02",""
"4060000","8.574","0.002","15.235","0.004","28.536","0.007","90","","90","","90","","3727.6","1.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 O6 -","- C42 H52 O6 -","- C168 H208 O24 -","4","1","","Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai","Total Synthesis of Absinthin","Journal of the American Chemical Society","2005","127","","18","19","10.1021/ja0439219","","","0.71073","MoKα","","0.1101","0.0631","","","0.1267","0.1459","","","","","","0.929","","","","has coordinates","277847","2022-09-14","22:27:41",""
"4060001","9.9596","0.0015","11.4051","0.0018","28.487","0.004","90","","90","","90","","3235.8","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 O8 -","- C34 H44 O8 -","- C136 H176 O32 -","4","1","","Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai","Total Synthesis of Absinthin","Journal of the American Chemical Society","2005","127","","18","19","10.1021/ja0439219","","","0.71073","MoKα","","0.1988","0.0564","","","0.1031","0.1387","","","","","","0.875","","","","has coordinates","277847","2022-09-14","22:27:43",""
"4060002","9.081","0.002","12.134","0.003","13.362","0.003","73.149","0.004","71.641","0.003","68.191","0.003","1272.2","0.5","128","2","128","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 F4 N6 Pt2 -","- C28 H18 F4 N6 Pt2 -","- C56 H36 F8 N12 Pt4 -","2","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0511","0.0404","","","0.1036","0.1085","","","","","","1.026","","","","has coordinates","277847","2022-09-14","22:27:45",""
"4060003","10.157","0.003","10.574","0.003","15.057","0.004","103.412","0.004","100.633","0.004","101.514","0.004","1495.6","0.6","128","2","128","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 F4 N6 Pt2 -","- C32 H26 F4 N6 Pt2 -","- C64 H52 F8 N12 Pt4 -","2","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0736","0.0558","","","0.1499","0.161","","","","","","1.07","","","","has coordinates","277847","2022-09-14","22:27:47",""
"4060004","10.0382","0.0018","20.024","0.004","17.864","0.003","90","","97.633","0.003","90","","3558.9","1.1","128","2","128","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 F4 N6 Pt2 -","- C38 H38 F4 N6 Pt2 -","- C152 H152 F16 N24 Pt8 -","4","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0578","0.0396","","","0.1001","0.1126","","","","","","1.043","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060005","18.549","0.004","10.512","0.002","21.43","0.004","90","","101.912","0.003","90","","4088.7","1.4","128","2","128","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 F4 N6 Pt2 -","- C44 H50 F4 N6 Pt2 -","- C176 H200 F16 N24 Pt8 -","4","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0492","0.0383","","","0.0914","0.1019","","","","","","1.062","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060006","8.5663","0.0009","9.4344","0.001","12.8913","0.0013","90.838","0.002","95.492","0.002","97.262","0.002","1028.37","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 B F2 N5 Pt -","- C21 H22 B F2 N5 Pt -","- C42 H44 B2 F4 N10 Pt2 -","2","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0377","0.0341","","","0.0705","0.0714","","","","","","1.145","","","","has coordinates","277847","2022-09-14","22:27:47",""
"4060007","17.8302","0.0011","23.4425","0.0014","9.1356","0.0006","90","","90","","90","","3818.5","0.4","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H21 F6 N3 S -","- C17 H21 F6.003 N3 S -","- C136 H168 F48.024 N24 S8 -","8","1","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.71073","MoKα","","0.0777","0.0675","","","0.1653","0.1731","","","","","","1.057","","","","has coordinates,has disorder","277847","2022-09-14","22:27:49",""
"4060008","8.34","0.01","11.15","0.01","8.538","0.008","90","","106.8","0.04","90","","760","1","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.7107","MoKα","","","0.029","","","","0.04","","","","","","0.922","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060009","11.367","0.006","11.559","0.004","26.73","0.01","90","","90.02","0.02","90","","3511","2","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C160 H152 N8 O40 -","8","4","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.7107","MoKα","","","0.052","","","","0.099","","","","","","0.823","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060010","8.509","0.005","11.225","0.008","23.33","0.01","90","","90","","90","","2228","2","93.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br Cl3 N O5 -","- C21 H19 Br Cl3 N O5 -","- C84 H76 Br4 Cl12 N4 O20 -","4","1","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.7107","MoKα","","","0.027","","","","0.071","","","","","","1.025","","","","has coordinates","277847","2022-09-14","22:27:49",""
"4060011","14.09","0.0001","15.066","0.0002","18.405","0.0002","70.22","0.001","87.22","0.001","84.14","0.001","3656.88","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H67 Cl O18 -","- C69 H67 Cl O18 -","- C138 H134 Cl2 O36 -","2","1","","Taizoon Canteenwala; Prashant A. Padmawar; Long Y. Chiang","Intense Near-Infrared Optical Absorbing Emerald Green [60]Fullerenes","Journal of the American Chemical Society","2005","127","","26","27","10.1021/ja044409q","","","0.71073","MoKα","","0.1366","0.1136","","0.3839","0.346","","","","1.033","1.103","1.103","","","","","has coordinates","277847","2022-09-14","22:27:49",""
"4060012","9.796","0.002","12.566","0.005","15.497","0.005","71.611","0.013","86.79","0.02","83.47","0.02","1798.1","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H16 B2 F24 O4 -","- C34 H16 B2 F24 O4 -","- C68 H32 B4 F48 O8 -","2","1","","Stewart P. Lewis; Lee D. Henderson; Brett D. Chandler; Masood Parvez; Warren E. Piers; Scott Collins","Aqueous Suspension Polymerization of Isobutene Initiated by 1,2-C6F4[B(C6F5)2]2","Journal of the American Chemical Society","2005","127","","46","47","10.1021/ja0445387","","x-ray","0.71073","MoKα","","0.0933","0.0578","","","0.1475","0.1703","","","","","","1.015","","","","has coordinates","277847","2022-09-14","22:27:51",""
"4060013","11.615","0.003","6.6412","0.0019","14.076","0.004","90","","95.389","0.005","90","","1081","0.5","173","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","04017a","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C48 H54 N2 O12 -","2","1","","Jian Huang; Richard P. Hsung","Chiral Lewis Acid-Catalyzed Highly Enantioselective [4 + 3] Cycloaddition Reactions of Nitrogen-Stabilized Oxyallyl Cations Derived from Allenamides","Journal of the American Chemical Society","2005","127","","50","51","10.1021/ja044760b","","","","","","0.0719","0.0528","","","0.1276","0.1422","","","","","","1.092","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060014","9.2454","0.0008","34.141","0.003","10.872","0.001","90","0.002","109.476","0.002","90","0.002","3235.5","0.5","175.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H59 Ce -","- C34 H58 Ce F -","- C136 H232 Ce4 F4 -","4","1","","Laurent Maron; Evan L. Werkema; Lionel Perrin; Odile Eisenstein; Richard A. Andersen","Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies","Journal of the American Chemical Society","2005","127","","279","292","10.1021/ja0451012","","","","","","","0.0291","","","","0.0654","","","","","","1.306","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060015","10.14","0.0009","12.213","0.001","15.632","0.001","85.86","0.001","81.146","0.001","78.336","0.001","1871.7","0.3","122.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H58 Ce F5 -","- C40 H58 Ce F5 X0 -","- C80 H116 Ce2 F10 X0 -","2","1","","Maron, Laurent; Werkema, Evan L.; Perrin, Lionel; Eisenstein, Odile; Andersen, Richard A.","Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies","Journal of the American Chemical Society","2005","127","","279","292","10.1021/ja0451012","","","0.7107","MoKα","","","0.0404","","","","0.1011","","","","","","1.52","","","","has coordinates","277847","2022-09-14","22:27:51",""
"4060016","16.487","0.003","22.667","0.005","18.672","0.004","90","","90","","90","","6978","2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H55 Hf P Si6 -","- C25 H55 Hf P Si6 -","- C200 H440 Hf8 P8 Si48 -","8","1","","Roland Fischer; Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Synthesis of a Hafnocene Disilene Complex","Journal of the American Chemical Society","2005","127","","70","71","10.1021/ja0464387","","","0.71073","MoKα","","0.1059","0.071","","","0.1264","0.1384","","","","","","1.108","","","","has coordinates","277847","2022-09-14","22:27:54",""
"4060017","21.5254","0.0013","21.5254","0.0013","14.173","0.0012","90","","90","","120","","5687.2","0.7","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10.17 H11 Cl0.25 N O P2 -","- C10.1667 H15 Cl0.253333 N O P2 -","- C183 H270 Cl4.56 N18 O18 P36 -","18","1","","Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.","Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^","Journal of the American Chemical Society","2005","127","1","331","336","10.1021/ja047238y","","","0.7107","MoKα","","0.1287","0.0628","","","0.1682","0.1949","","","","","","0.987","","","","has coordinates","270066","2021-10-23","16:45:43",""
"4060018","8.6521","0.0008","17.2931","0.0015","23.187","0.002","90","","90","","90","","3469.3","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O5 P2 W -","- C14 H15 N O5 P2 W -","- C112 H120 N8 O40 P16 W8 -","8","1","","Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.","Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^","Journal of the American Chemical Society","2005","127","1","331","336","10.1021/ja047238y","","","0.71073","MoKα","","0.0756","0.0453","","","0.0898","0.0984","","","","","","1.059","","","","has coordinates","277847","2022-09-14","22:27:56",""
"4060019","6.5297","0.0004","13.6202","0.0009","19.8064","0.0013","90","","90","","90","","1761.5","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Br N O4 P2 Re -","- C13 H15 Br N O4 P2 Re -","- C52 H60 Br4 N4 O16 P8 Re4 -","4","1","","Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.","Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^","Journal of the American Chemical Society","2005","127","1","331","336","10.1021/ja047238y","","","0.71073","MoKα","","0.0301","0.0273","","","0.0651","0.0662","","","","","","1.065","","","","has coordinates","277847","2022-09-14","22:27:58",""
"4060020","7.5359","0.0012","14.847","0.002","7.8287","0.0012","90","","90","","90","","875.9","0.2","673","2","673","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge1.95 Si2.05 -","- Gd5 Ge1.955 Si2.045 -","- Gd20 Ge7.82 Si8.18 -","4","0.5","","Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller","On the High-Temperature Phase Transition of Gd5Si2Ge2","Journal of the American Chemical Society","2005","127","","317","324","10.1021/ja048679k","","","0.71073","MoKα","","0.0506","0.0377","","","0.0766","0.0809","","","","","","1.011","","","","has coordinates","277847","2022-09-14","22:27:58",""
"4060021","7.5856","0.0009","14.81","0.0016","7.7855","0.0009","90","","90","","93.223","0.002","873.26","0.17","293","2","293","2","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","","","- Gd5 Ge1.99 Si2.02 -","- Gd5 Ge1.983 Si2.017 -","- Gd20 Ge7.932 Si8.068 -","4","1","","Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller","On the High-Temperature Phase Transition of Gd5Si2Ge2","Journal of the American Chemical Society","2005","127","","317","324","10.1021/ja048679k","","","0.71073","MoKα","","0.0493","0.0311","","","0.0545","0.0578","","","","","","0.967","","","","has coordinates","277847","2022-09-14","22:28:00",""
"4060193","16.046","0.004","7.434","0.002","20.025","0.005","90","","100.42","0.02","90","","2349.3","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 N6 O2 -","- C30 H22 N6 O2 -","- C120 H88 N24 O8 -","4","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.1277","0.1005","","0.1709","0.1627","","","","1.333","1.408","1.408","","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060194","17.985","0.002","26.557","0.004","12.191","0.001","90","","90","","90","","5823","1","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H20 N6 Ni O2 -","- C30 H20 N6 Ni O2 -","- C240 H160 N48 Ni8 O16 -","8","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.0858","0.0632","","0.1935","0.1828","","","","1.073","1.218","1.218","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060195","8.082","0.001","11.956","0.001","13.813","0.001","84.49","0.01","89.44","0.01","72.38","0.01","1266","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N6 Ni O4 -","- C32 H24 N6 Ni O4 -","- C64 H48 N12 Ni2 O8 -","2","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.0369","0.0302","","0.0792","0.076","","","","1.038","1.07","1.07","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060196","14.017","0.001","15.085","0.001","21.778","0.002","99.55","0.01","108.7","0.01","93.39","0.01","4270.1","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H78 Cl6 N12 Ni2 O9 -","- C96 H74 Cl6 N12 Ni2 O9 -","- C192 H148 Cl12 N24 Ni4 O18 -","2","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.0862","0.0634","","0.2042","0.1919","","","","1.099","1.204","1.204","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060197","16.3884","0.001","19.5173","0.001","19.9185","0.001","90","","90","","90","","6371.1","0.6","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(diethylether)ytterbium undecacarbonyl(tetracobalt)","","","- C23 H30 Co4 O14 Yb -","- C23 H25 Co4 O14 Yb -","- C184 H200 Co32 O112 Yb8 -","8","1","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0779","0.0417","","","0.1015","0.1205","","","","","","1.058","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060198","16.3813","0.001","19.7197","0.001","20.0949","0.001","90","","90","","90","","6491.3","0.6","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(diethylether)europium undecacarbonyl(tetracobalt)","","","- C23 H30 Co4 Eu O14 -","- C23 H30 Co4 Eu O14 -","- C184 H240 Co32 Eu8 O112 -","8","1","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0489","0.0349","","","0.0789","0.0847","","","","","","1.015","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060199","11.1607","0.001","16.3616","0.001","17.4351","0.001","90","","97.108","0.01","90","","3159.3","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(diethylether)(tetrahydrofuran)ytterbium undecacarbon","","","- C23 H28 Co4 O14 Yb -","- C23 H10 Co4 O14 Yb -","- C92 H40 Co16 O56 Yb4 -","4","1","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.1001","0.0518","","","0.1139","0.1376","","","","","","1.022","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060200","12.4723","0.001","17.2458","0.001","18.0452","0.001","90","","90","","90","","3881.4","0.4","200","2","200","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Pentakis(tetrahydrofuran)europium undecacarbonyl(tetracobalt)","","","- C31 H40 Co4 Eu O16 -","- C31 H36 Co4 Eu O16 -","- C124 H144 Co16 Eu4 O64 -","4","0.5","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0444","0.033","","","0.0679","0.0712","","","","","","1.035","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060201","37.16","0.02","6.127","0.002","24.091","0.009","90","","111.392","0.007","90","","5106.8","3.2","113.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H29 N4 O2 -","- C31 H29 N4 O2 -","- C248 H232 N32 O16 -","8","1","","Shinsuke Hiraoka; Toshihiro Okamoto; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada","A Stable Radical-Substituted Radical Cation with Strongly Ferromagnetic Interaction: Nitronyl Nitroxide-Substituted 5,10-Diphenyl-5,10-dihydrophenazine Radical Cation","Journal of the American Chemical Society","2004","126","","58","59","10.1021/ja0367748","","","0.7107","MoKα","","","0.07","","","","0.088","","","","","","1.142","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060202","10.2817","0.001","11.2323","0.0011","15.539","0.002","80.704","0.01","77.666","0.01","64.483","0.007","1577.2","0.3","113.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Cl3 N4 O6 -","- C32 H31 Cl3 N4 O6 -","- C64 H62 Cl6 N8 O12 -","2","1","","Shinsuke Hiraoka; Toshihiro Okamoto; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada","A Stable Radical-Substituted Radical Cation with Strongly Ferromagnetic Interaction: Nitronyl Nitroxide-Substituted 5,10-Diphenyl-5,10-dihydrophenazine Radical Cation","Journal of the American Chemical Society","2004","126","","58","59","10.1021/ja0367748","","","0.7107","MoKα","","","0.045","","","","0.065","","","","","","0.989","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060203","5.477","0.005","11.963","0.005","19.287","0.005","95.137","0.005","93.217","0.005","96.157","0.005","1248.6","1.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-(4'-octyloxystyryl)pyridinato pentafluoroiodobenzene","","- C27 H27 F5 I N O -","- C27 H27 F5 I N O -","- C54 H54 F10 I2 N2 O2 -","2","1","","H. Loc Nguyen; Peter N. Horton; Michael B. Hursthouse; Anthony C. Legon; Duncan W. Bruce","Halogen Bonding: A New Interaction for Liquid Crystal Formation","Journal of the American Chemical Society","2004","126","","16","17","10.1021/ja036994l","","","0.71073","MoKα","","0.0565","0.0373","","","0.0731","0.0785","","","","","","1.04","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060204","5.2258","0.0005","8.7007","0.0009","22.97","0.002","90","","90","","90","","1044.42","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ala-gly-gly HCl","alanyl-glycyl-glycine hydrochloride","","- C7 H14 Cl N3 O4 -","- C7 H14 Cl N3 O4 -","- C28 H56 Cl4 N12 O16 -","4","1","","Chekmenev, Eduard Y.; Zhang, Qianwen; Waddell, Kevin W.; Mashuta, Mark S.; Wittebort, Richard J.","15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure","Journal of the American Chemical Society","2004","126","1","379","384","10.1021/ja0370342","","","0.71073","MoKα","","0.053","0.048","","","0.106","0.109","","","","","","1.05","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060205","6.989","0.0008","8.2684","0.001","21.834","0.003","90","","90","","90","","1261.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","gly-gly-val HCl","glycyl-glycyl-valine hydrochloride","","- C9 H18 Cl N3 O4 -","- C9 H18 Cl N3 O4 -","- C36 H72 Cl4 N12 O16 -","4","1","","Chekmenev, Eduard Y.; Zhang, Qianwen; Waddell, Kevin W.; Mashuta, Mark S.; Wittebort, Richard J.","15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure","Journal of the American Chemical Society","2004","126","1","379","384","10.1021/ja0370342","","","0.71073","MoKα","","0.027","0.024","","","0.054","0.055","","","","","","1.01","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060206","13.6343","0.0014","14.1508","0.0014","23.889","0.002","86.844","0.002","82.792","0.002","71.115","0.002","4325.9","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H44 N6 O19 S4 -","- C25 H20 N6 O15 -","- C100 H80 N24 O60 -","4","2","","Lara A. Estroff; Christopher D. Incarvito; Andrew D. Hamilton","Design of a Synthetic Foldamer that Modifies the Growth of Calcite Crystals","Journal of the American Chemical Society","2004","126","","2","3","10.1021/ja037614z","","","0.71073","MoKα","","0.1871","0.1289","","","0.3155","0.333","","","","","","1.479","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060207","7.7607","0.0004","10.097","0.001","13.895","0.001","89","2","84.063","0.003","70.988","0.003","1023.6","0.2","93.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N8 -","- C24 H19 N8 -","- C48 H38 N16 -","2","1","","Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura","Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3","Journal of the American Chemical Society","2004","126","","291","294","10.1021/ja0377697","","","0.7107","MoKα","","","0.056","","","","0.097","","","","","","0.44","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060208","7.8164","0.0007","10.3585","0.0003","14.02","0.001","88","2","83.944","0.003","69.911","0.003","1060","0.1","473.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N8 -","- C24 H19 N8 -","- C48 H38 N16 -","2","1","","Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura","Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3","Journal of the American Chemical Society","2004","126","","291","294","10.1021/ja0377697","","","0.7107","MoKα","","","0.073","","","","0.072","","","","","","0.674","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060209","7.8153","0.0005","10.186","0.0003","14.02","0.0007","89","2","84.021","0.003","70.743","0.003","1047.51","0.09","100.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N8 -","- C24 H19 N8 -","- C48 H38 N16 -","2","1","","Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura","Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3","Journal of the American Chemical Society","2004","126","","291","294","10.1021/ja0377697","","","0.7107","MoKα","","","0.052","","","","0.042","","","","","","0.429","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060210","7.851","0.001","10.454","0.002","14.074","0.003","88","2","83.455","0.008","69.668","0.007","1075.8","0.4","373.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N8 -","- C24 H19 N8 -","- C48 H38 N16 -","2","1","","Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura","Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3","Journal of the American Chemical Society","2004","126","","291","294","10.1021/ja0377697","","","0.7107","MoKα","","","0.069","","","","0.088","","","","","","0.902","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060211","9.1306","0.0005","13.241","0.0007","24.7714","0.0014","90","","94.356","0.001","90","","2986.2","0.3","446","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Cl2 P2 Zr -","- C28 H44 Cl2 P2 Zr -","- C112 H176 Cl8 P8 Zr4 -","4","1","","Eugene Y.-X. Chen; Richard E. Campbell; David D. Devore; D. Patrick Green; Bernie Link; Jorge Soto; David R. Wilson; Khalil A. Abboud","Divalentansa-Zirconocenes: Stereoselective Synthesis and High Activity for Propylene Polymerization","Journal of the American Chemical Society","2004","126","","42","43","10.1021/ja0381611","","","0.71073","MoKα","","0.0734","0.0337","","","0.0615","0.0664","","","","","","0.808","","","","has coordinates,has disorder","178491","2020-10-21","18:00:00",""
"4060212","12.3585","0.0001","12.4741","0.0002","16.6548","0.0003","95.175","0.001","95.375","0.001","113.504","0.001","2321.16","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C60.5 H56 Si Zr -","- C60.5 H55.5 Si Zr -","- C121 H111 Si2 Zr2 -","2","1","","Eugene Y.-X. Chen; Richard E. Campbell; David D. Devore; D. Patrick Green; Bernie Link; Jorge Soto; David R. Wilson; Khalil A. Abboud","Divalentansa-Zirconocenes: Stereoselective Synthesis and High Activity for Propylene Polymerization","Journal of the American Chemical Society","2004","126","","42","43","10.1021/ja0381611","","","0.71073","MoKα","","0.0386","0.0317","","","0.082","0.084","","","","","","1.029","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060213","26.7687","0.0011","8.7564","0.0003","8.0887","0.0004","90","","91.063","0.002","90","","1895.64","0.14","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cp2Zr(mu:hapto-2:hapto2-1,2,3-butatriene)Zr(PMe3)Cp2 6","","- C22 H30 Zr -","- C22 H30 Zr -","- C88 H120 Zr4 -","4","1","","Noriyuki Suzuki; Naoto Aihara; Hidemichi Takahara; Takaaki Watanabe; Masakazu Iwasaki; Masahiko Saburi; Daisuke Hashizume; Teiji Chihara","Synthesis and Structure of 1-Zirconacyclopent-3-yne Complexes without Substituents Adjacent to the Triple Bond","Journal of the American Chemical Society","2004","126","","60","61","10.1021/ja0385742","","","0.71073","MoKα","","0.0381","0.0303","","","0.0667","0.0688","","","","","","1.151","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060214","10.5259","0.0002","33.0858","0.0004","8.2256","0.0001","90","","105.661","0.0005","90","","2758.28","0.07","200.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 P Zr2 -","- C27 H33 P Zr2 -","- C108 H132 P4 Zr8 -","4","1","","Noriyuki Suzuki; Naoto Aihara; Hidemichi Takahara; Takaaki Watanabe; Masakazu Iwasaki; Masahiko Saburi; Daisuke Hashizume; Teiji Chihara","Synthesis and Structure of 1-Zirconacyclopent-3-yne Complexes without Substituents Adjacent to the Triple Bond","Journal of the American Chemical Society","2004","126","","60","61","10.1021/ja0385742","","","0.7107","MoKα","","","0.0409","","","","0.1316","","","","","","1.707","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060215","11.715","0.002","10.248","0.002","15.159","0.003","90","","91.81","0.02","90","","1819","0.7","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","manganese(II) formate dioxane solvate","","","- C3.33 H4.67 Mn O4.67 -","- C3.33333 H4.66667 Mn O4.66667 -","- C40 H56 Mn12 O56 -","12","3","","Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim","Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties","Journal of the American Chemical Society","2004","126","","32","33","10.1021/ja038678c","","","0.71073","MoKα","","0.0604","0.0507","","","0.1242","0.1303","","","","","","1.041","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060216","11.7203","0.0012","10.207","0.0011","14.9556","0.0015","90","","91.439","0.002","90","","1788.6","0.3","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","manganese(II) formate","","","- C2 H2 Mn O4 -","- C2 H2 Mn O4 -","- C24 H24 Mn12 O48 -","12","3","","Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim","Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties","Journal of the American Chemical Society","2004","126","","32","33","10.1021/ja038678c","","","0.71073","MoKα","","0.0595","0.0497","","","0.1177","0.1225","","","","","","1.084","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060217","12.8962","0.0014","8.3888","0.0009","11.6442","0.0013","90","","90","","90","","1259.7","0.2","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H2 Mn O4 -","- C6 H6 Mn3 O12 -","- C24 H24 Mn12 O48 -","4","1","","Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim","Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties","Journal of the American Chemical Society","2004","126","","32","33","10.1021/ja038678c","","","0.71073","MoKα","","0.0473","0.044","","","0.1097","0.1118","","","","","","1.033","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062739","14.903","0.008","10.168","0.002","20.654","0.01","89","","89","","90","","3129","4","293.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H30 F12 Fe4 O2 P2 -","- C28 F12 Fe4 O2 P2 -","- C112 F48 Fe16 O8 P8 -","4","0.5","","Masaaki Okazaki; Takeo Ohtani; Hiroshi Ogino","Reversible Cleavage and Recombination of an Acetylenic Carbon-Carbon Bond on a Tetrairon Cluster Coupled with a Two-Electron Redox Reaction","Journal of the American Chemical Society","2004","126","","4104","4105","10.1021/ja049720m","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062742","9.353","0.001","15.634","0.001","32.792","0.004","90","","98.174","0.008","90","","4746","0.8","150.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 Fe8 O4 -","- C56 H60 Fe8 O4 -","- C224 H240 Fe32 O16 -","4","1","","Masaaki Okazaki; Takeo Ohtani; Hiroshi Ogino","Reversible Cleavage and Recombination of an Acetylenic Carbon-Carbon Bond on a Tetrairon Cluster Coupled with a Two-Electron Redox Reaction","Journal of the American Chemical Society","2004","126","","4104","4105","10.1021/ja049720m","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062792","11.128","0.0018","11.1646","0.0018","13.098","0.002","84.261","0.003","84.977","0.003","80.62","0.003","1593.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 N P2 Rh -","- C38 H36 N P2 Rh -","- C76 H72 N2 P4 Rh2 -","2","1","","Krug, Christopher; Hartwig, John F.","Imine Insertion into a Late Metal–Carbon Bond To Form a Stable Amido Complex","Journal of the American Chemical Society","2004","126","9","2694","2695","10.1021/ja038819a","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062793","20.443","0.004","13.454","0.003","20.069","0.004","90","","110.31","0.03","90","","5176.4","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H59 N2 O2 P2 Rh -","- C61 H51 N2 O2 P2 Rh -","- C244 H204 N8 O8 P8 Rh4 -","4","1","","Krug, Christopher; Hartwig, John F.","Imine Insertion into a Late Metal‒Carbon Bond To Form a Stable Amido Complex","Journal of the American Chemical Society","2004","126","9","2694","2695","10.1021/ja038819a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219031","2020-10-21","18:00:00",""
"4062795","14.72","0.003","29.946","0.006","18.379","0.004","90","","98.62","0.03","90","","8010","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 N O P2 Rh -","- C48 H44 N O P2 Rh -","- C384 H352 N8 O8 P16 Rh8 -","8","1","","Krug, Christopher; Hartwig, John F.","Imine Insertion into a Late Metal‒Carbon Bond To Form a Stable Amido Complex","Journal of the American Chemical Society","2004","126","9","2694","2695","10.1021/ja038819a","","","","","","","","","","","","","","","","","","","","","has coordinates","219031","2020-10-21","18:00:00",""
"4062964","19.2002","0.0011","12.8053","0.0007","23.2887","0.0013","90","","110.996","0.001","90","","5345.7","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 B F3 Mo N9 O4 S -","- C20 H25 B F3 Mo N9 O4 S -","- C160 H200 B8 F24 Mo8 N72 O32 S8 -","8","2","","Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman","Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments","Journal of the American Chemical Society","2004","126","","6806","6815","10.1021/ja039824h","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4100000","18.0757","0.001","16.097","0.0009","20.6888","0.0011","90","","104.687","0.001","90","","5823","0.6","150","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N2 Ni O3 -","- C30 H36 N2 Ni O3 -","- C240 H288 N16 Ni8 O24 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100001","11.0032","0.0012","9.6385","0.0011","14.3586","0.0016","90","","90","","90","","1522.8","0.3","150","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H25 Cl N2 Ni -","- C14 H25 Cl N2 Ni -","- C56 H100 Cl4 N8 Ni4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100002","11.2997","0.0012","9.7379","0.0011","14.7603","0.0016","90","","90","","90","","1624.2","0.3","150","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H25 Br N2 Ni -","- C14 H25 Br N2 Ni -","- C56 H100 Br4 N8 Ni4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100003","7.7145","0.0016","8.3682","0.0018","19.411","0.004","78.551","0.004","88.502","0.004","69.455","0.004","1148.8","0.4","150","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N2 Ni O3 -","- C24 H24 N2 Ni O3 -","- C48 H48 N4 Ni2 O6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100004","18.275","0.0009","16.387","0.0008","31.1987","0.0015","90","","90.476","0.001","90","","9342.8","0.8","150","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 Ni O3 -","- C24 H26 N2 Ni O3 -","- C384 H416 N32 Ni16 O48 -","16","4","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100005","8.94","0.0007","20.5564","0.0016","16.0631","0.0012","90","","105.736","0.002","90","","2841.3","0.4","150","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N2 Ni O3 -","- C30 H38 N2 Ni O3 -","- C120 H152 N8 Ni4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100006","13.649","0.003","25.077","0.005","22.742","0.004","90","","91.952","0.004","90","","7779","2","193.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H86 Fe2 N8 O10 P2 -","- C86 H86 Fe2 N8 O10 P2 -","- C344 H344 Fe8 N32 O40 P8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0460458","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100007","14.084","0.001","15.38","0.002","24.082","0.002","97.723","0.008","100.09","0.01","117.146","0.006","4431.4","0.9","193.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C97 H98 F3 Fe2 N8 O13.5 P2 -","- C97 H98 F3 Fe2 N8 O13.5 P2 -","- C194 H196 F6 Fe4 N16 O27 P4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0460458","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100008","7.3844","0.0015","15.64","0.003","22.541","0.005","105.37","0.03","96.51","0.03","91.82","0.03","2488.8","0.9","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H41 B2 O4 Rh -","- C22 H41 B2 O4 Rh -","- C88 H164 B8 O16 Rh4 -","4","2","","Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.","Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes","Journal of the American Chemical Society","2005","","","","","10.1021/ja045090c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100009","13.798","0.003","14.718","0.003","17.139","0.003","73.3","0.03","89.38","0.03","78.95","0.03","3268.1","1.1","113","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H52 B3 O6 Rh -","- C28 H52 B3 O6 Rh -","- C112 H208 B12 O24 Rh4 -","4","2","","Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.","Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes","Journal of the American Chemical Society","2005","","","","","10.1021/ja045090c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100010","10.43","0.002","11.785","0.002","17.455","0.004","74.18","0.03","87.53","0.03","66.22","0.03","1883.6","0.7","183","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H55 B O2 P Rh -","- C37 H49 B O2 P Rh -","- C74 H98 B2 O4 P2 Rh2 -","2","1","","Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.","Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes","Journal of the American Chemical Society","2005","","","","","10.1021/ja045090c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100011","18.496","0.004","20.128","0.004","19.179","0.004","90","","116.33","0.03","90","","6399","2","123","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H54 B2 O4 P Rh -","- C28 H54 B2 O4 P Rh -","- C224 H432 B16 O32 P8 Rh8 -","8","2","","Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.","Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes","Journal of the American Chemical Society","2005","","","","","10.1021/ja045090c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100012","7.2615","0.0006","8.7028","0.0007","11.485","0.0009","104.878","0.0013","100.648","0.0015","98.4852","0.0014","674.7","0.09","193","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H42 Si2 -","- C26 H42 Si2 -","- C26 H42 Si2 -","1","0.5","","Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; .","Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja044526l","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100013","21.699","0.003","7.8425","0.0011","16.242","0.002","90","","90.184","0.003","90","","2764","0.7","193","2","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 Si2 -","- C28 H42 Si2 -","- C112 H168 Si8 -","4","0.5","","Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; .","Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja044526l","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100014","8.2757","0.0006","13.4444","0.0011","13.9444","0.0011","90","","97.7225","0.0016","90","","1537.4","0.2","193","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 Si2 -","- C30 H42 Si2 -","- C60 H84 Si4 -","2","0.5","","Eisler, Sara; Slepkov, Aaron D.; Elliott, Erin; Luu, Thanh; McDonald, Robert; Hegmann, Frank A.; Tykwinski, Rik R.","Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja044526l","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100015","7.6441","0.0014","12.485","0.002","18.3","0.003","70.701","0.004","82.758","0.004","80.5","0.004","1620.9","0.5","193","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H42 Si2 -","- C34 H42 Si2 -","- C68 H84 Si4 -","2","1","","Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; .","Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja044526l","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100016","9.7619","0.0007","10.3789","0.0008","21.056","0.002","90","","95.506","0.001","90","","2123.5","0.3","273.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N O2 P -","- C27 H24 N O2 P -","- C108 H96 N4 O8 P4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044461m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100017","9.932","0.001","18.201","0.001","8.7778","0.0009","99.675","0.003","90.281","0.004","99.129","0.004","1543.7","0.3","293.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044194k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100018","6.0537","0.0004","17.481","0.0012","19.469","0.0013","90","","90","","90","","2060.3","0.2","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Xia, Wujiong; Yang, Chao; Patrick, Brian O.; Scheffer, John R.; Scott, Carl","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043254j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100019","10.437","0.0005","18.322","0.001","11.697","0.0004","90","","121.391","0.003","90","","1909.38","0.15","130","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Fe N3 O -","- C22 H17 Fe N3 O -","- C88 H68 Fe4 N12 O4 -","4","1","","Liao, Yi; Kaminsky, Werner","Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores","Journal of the American Chemical Society","2005","","","","","10.1021/ja0449123","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100020","10.003","0.0003","11.271","0.0003","14.935","0.0005","70.166","0.0013","89.948","0.0013","76.818","0.0019","1536.82","0.08","130","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H25 Cl4 Fe N3 O S -","- C30 H25 Cl4 Fe N3 O S -","- C60 H50 Cl8 Fe2 N6 O2 S2 -","2","1","","Liao, Yi; Robinson, Bruce; Kaminsky, Werner; Benedict, Jason","Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores","Journal of the American Chemical Society","2005","","","","","10.1021/ja0449123","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100021","13.47","0.0019","14.161","0.0017","14.661","0.002","73.342","0.009","64.348","0.005","68.832","0.008","2322.4","0.5","130","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C27.2 H16.39 Cl0.39 F3 Fe N3 O -","- C27.1965 H16.393 Cl0.393 F3 Fe N3 O -","- C108.786 H65.572 Cl1.572 F12 Fe4 N12 O4 -","4","2","","Liao, Yi; Robinson, Bruce; Kaminsky, Werner","Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores","Journal of the American Chemical Society","2005","","","","","10.1021/ja0449123","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100022","28.041","0.0011","15.294","0.0009","19.322","0.0009","90","","131.96","0.003","90","","6161.9","0.5","130","2","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Cl2 F3 Fe N3 O S -","- C34 H22 Cl2 F3 Fe N3 O S -","- C272 H176 Cl16 F24 Fe8 N24 O8 S8 -","8","1","","Liao, Yi; Robinson, Bruce; Kaminsky, Werner; Benedict, Jason","Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores","Journal of the American Chemical Society","2005","","","","","10.1021/ja0449123","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100023","8.257","0.003","8.37","0.002","21.383","0.008","90","","100.054","0.016","90","","1455.1","0.8","173","2","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C23 H33 B2 Cl2 F3 N4 O3 S -","- C23 H33 B2 Cl2 F3 N4 O3 S -","- C46 H66 B4 Cl4 F6 N8 O6 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050129e","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100024","12.506","0.003","20.434","0.003","16.308","0.004","90","","106.907","0.01","90","","3987.3","1.5","173","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 B2 N4 O5 W -","- C40 H52 B2 N4 O5 W -","- C160 H208 B8 N16 O20 W4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050129e","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100025","17.75","0.002","41.914","0.005","7.9239","0.001","90","","90","","90","","5895.2","1.3","125","1","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C29 H46 B2 N4 -","- C29 H46 B2 N4 -","- C232 H368 B16 N32 -","8","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050129e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100026","15.856","0.001","9.4706","0.0008","20.2922","0.0014","90","","112.441","0.004","90","","2816.4","0.4","160","1","","","","","","","","","","4","C 1 2 1","C 2y","5","","1,5-bis-(1-cyclohexyl-4-hydroxy-4-methyl-3-oxopentyl)-1-methyl-1H-pyrrole","","- C29 H47 N O4 -","- C29 H47 N O4 -","- C116 H188 N4 O16 -","4","1","","Palomo, Claudio; Oiarbide, Mikel; Kardak, Bharat G.; García, Jesús; Linden, Anthony","α'-Hydoxy Enones as New Templates for Cu(II)-Catalyzed Enantioselective Pyrrole and Indole Friedel-Crafts Alkylations","Journal of the American Chemical Society","2005","","","","","10.1021/ja0423217","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100027","11.3456","0.001","21.6734","0.0019","19.3685","0.0017","90","","101.026","0.002","90","","4674.8","0.7","138","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H78 Sm2 -","- C50 H78 Sm2 -","- C200 H312 Sm8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044529y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100028","9.978","0.003","17.896","0.006","18.049","0.006","90","","93.665","0.006","90","","3216.3","1.8","218","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 Co O2 P S Si -","- C35 H36 Co O2 P S Si -","- C140 H144 Co4 O8 P4 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050160g","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100029","17.381","0.003","5.8345","0.001","11.3055","0.0018","90","","112.239","0.002","90","","1061.2","0.3","173","2","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 Co2 S2 -","- C24 H24 Co2 S2 -","- C48 H48 Co4 S4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050160g","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100030","9.0966","0.0012","10.7124","0.0014","17.936","0.002","74.952","0.002","89.251","0.002","75.278","0.002","1629.8","0.4","218","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H36 Co O P S Si -","- C35 H36 Co O P S Si -","- C70 H72 Co2 O2 P2 S2 Si2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050160g","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100031","20.4171","0.0006","16.487","0.0005","18.8953","0.0006","90","","91.321","0.001","90","","6358.8","0.3","100","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H86 N6 O10 S2 -","- C66 H86 N6 O10 S2 -","- C264 H344 N24 O40 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042208g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100032","9.537","0.0003","26.9572","0.0009","12.3589","0.0004","90","","109.968","0.002","90","","2986.35","0.17","100","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 Cl2 N3 O4 -","- C32 H35 Cl2 N3 O4 -","- C128 H140 Cl8 N12 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042208g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100033","13.958","0.003","7.5579","0.0017","15.236","0.003","90","","114.6","0.004","90","","1461.4","0.6","173","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Cl F4 N3 -","- C17 H10 Cl F4 N3 -","- C68 H40 Cl4 F16 N12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100034","6.8075","0.0007","9.0631","0.001","13.4888","0.0015","70.863","0.002","78.833","0.002","75.604","0.002","755.8","0.14","173","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 Cl F4 N3 -","- C17 H10 Cl F4 N3 -","- C34 H20 Cl2 F8 N6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100035","7.5926","0.0012","12.408","0.002","15.483","0.003","90","","90","","90","","1458.7","0.4","163","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H13 F4 N -","- C19 H13 F4 N -","- C76 H52 F16 N4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100036","7.711","0.002","11.939","0.004","15.819","0.005","91.697","0.006","90.421","0.005","98.628","0.005","1439.1","0.7","173","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 F4 N2 -","- C18 H12 F4 N2 -","- C72 H48 F16 N8 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100037","8.546","0.0006","9.43","0.0008","11.165","0.0007","73.016","0.004","82.571","0.005","81.014","0.004","846.6","0.1","273.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F3 O5 S -","- C17 H13 F3 O5 S -","- C34 H26 F6 O10 S2 -","2","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100038","10.033","0.0002","11.953","0.0005","16.295","0.0007","90","","90","","90","","1954.2","0.1","273.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 O6 P -","- C20 H23 O6 P -","- C80 H92 O24 P4 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100039","7.334","0.0003","19.543","0.0004","9.082","0.0004","90","","90","","90","","1301.7","0.1","273.2","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H12 Br2 O -","- C27 H18 Br4 O -","- C108 H72 Br16 O4 -","4","0.5","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100040","13.91","0.0003","19.228","0.0005","23.515","0.0007","90","","90","","90","","6289.4","0.3","150","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H31 F6 K O8 -","- C29 H31 F6 K O8 -","- C232 H248 F48 K8 O64 -","8","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218965","2020-10-21","18:00:00",""
"4100041","16.378","0.0006","7.467","0.0002","16.966","0.0006","90","","105.007","0.002","90","","2004.1","0.1","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 B N2 O2 -","- C24 B N2 O2 -","- C96 B4 N8 O8 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218966","2020-10-21","18:00:00",""
"4100042","10.726","0.0004","12.542","0.0004","13.08","0.0004","90","","91.437","0.002","90","","1759.04","0.09","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 B N2 -","- C20 H25 B N2 -","- C80 H100 B4 N8 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218966","2020-10-21","18:00:00",""
"4100043","12.777","0.0004","12.551","0.0006","10.72","0.0005","90","","90.546","0.003","90","","1719","0.1","273.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 B Cl2 N2 -","- C18 H19 B Cl2 N2 -","- C72 H76 B4 Cl8 N8 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100044","11.962","0.0004","7.228","0.0001","20.281","0.0007","90","","100.49","0.001","90","","1724.21","0.07","273.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 B O4 -","- C22 H17 B O4 -","- C88 H68 B4 O16 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100045","9.867","0.0004","14.292","0.0006","14.081","0.0004","90","","90","","90","","1985.7","0.1","273.2","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H19 B O5 -","- C23 H19 B O5 -","- C92 H76 B4 O20 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100046","8.493","0.0002","14.313","0.0006","15.954","0.0008","90","","90","","90","","1939.4","0.1","273.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H17 B O2 S2 -","- C36 H29 B O4 S2 -","- C144 H116 B4 O16 S8 -","4","0.5","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100047","18.729","0.0008","13.177","0.0005","21.8","0.0009","90","","111.059","0.002","90","","5020.7","0.3","273.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 B O4 -","- C18 H19 B O4 -","- C216 H228 B12 O48 -","12","3","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100048","12.187","0.0004","6.823","0.0002","32.524","0.001","90","","90","","90","","2704.4","0.2","273.2","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H13 B F2 O2 -","- C16 H13 B F2 O2 -","- C128 H104 B8 F16 O16 -","8","2","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100049","6.95","0.0002","9.08","0.0002","11.323","0.0004","90","","90","","90","","714.55","0.04","273.2","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C16 H13 B Cl2 O2 -","- C16 H17 B Cl4 O2 -","- C32 H34 B2 Cl8 O4 -","2","0.5","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100050","6.642","0.005","12.169","0.005","15.118","0.005","90","","91.913","0.005","90","","1221.3","1.1","293","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100051","10.153","0.0005","7.248","0.0002","17.358","0.0009","90","","106.064","0.002","90","","1227.48","0.09","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 Br3 -","- C14 H7 Br3 -","- C56 H28 Br12 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100052","25.057","0.003","25.057","0.003","8.371","0.0005","90","","90","","90","","5255.8","0.7","273.2","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C17 H13 N O2 -","- C17 H14 N O2 -","- C272 H224 N16 O32 -","16","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100053","10.981","0.002","14.701","0.004","13.43","0.003","90","","107.81","0.02","90","","2064.2","0.8","273.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 B2 F7 O4 -","- C19 H19 B2 F7 O4 -","- C76 H76 B8 F28 O16 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100054","16.537","0.005","12.438","0.004","12.723","0.004","90","","90.155","0.005","90","","2617","1.4","173","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Ni Si4 -","- C18 H42 Ni Si4 -","- C72 H168 Ni4 Si16 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044308s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100055","10.969","0.001","19.144","0.002","12.491","0.002","90","","103.151","0.002","90","","2554.1","0.5","173","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Ni Si4 -","- C18 H42 Ni Si4 -","- C72 H168 Ni4 Si16 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044308s","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100056","12.364","0.0008","10.2697","0.0007","21.0044","0.0014","90","","99.389","0.001","90","","2631.3","0.3","173","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Ni Si4 -","- C18 H42 Ni Si4 -","- C72 H168 Ni4 Si16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044308s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100057","14.819","0.007","23.37","0.01","11.251","0.005","90","","130.197","0.008","90","","2976","2","173","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Br2 Ni2 Si4 -","- C18 H42 Br2 Ni2 Si4 -","- C72 H168 Br8 Ni8 Si16 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044308s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100058","16.448","0.004","19.038","0.004","19.669","0.004","90","","90","","90","","6159","2","173","2","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H42 I2 Ni2 Si4 -","- C18 H42 I2 Ni2 Si4 -","- C144 H336 I16 Ni16 Si32 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044308s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100059","10.7634","0.0009","12.8715","0.0009","13.466","0.001","84.967","0.004","87.007","0.004","80.751","0.003","1832.9","0.2","100.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100060","10.774","0.001","12.901","0.001","13.481","0.001","84.828","0.004","86.932","0.004","80.859","0.003","1841","0.3","125.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100061","10.7902","0.0007","12.9099","0.0007","13.4876","0.0008","84.719","0.003","86.876","0.003","80.733","0.003","1844.9","0.2","145.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100062","10.8075","0.0005","12.9228","0.0006","13.4987","0.0008","84.676","0.001","86.905","0.001","80.678","0.002","1850.9","0.1","145.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100063","10.81","0.002","12.929","0.003","13.526","0.003","84.43","0.006","86.974","0.006","80.52","0.009","1854.5","0.6","180.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 Cs N3 Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100064","10.821","0.002","12.935","0.003","13.566","0.003","84.37","0.006","87.094","0.005","80.51","0.01","1862.6","0.6","195.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100065","10.804","0.001","12.906","0.002","13.573","0.002","84.226","0.004","87.3","0.004","80.552","0.003","1856.5","0.4","210.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100066","10.798","0.003","12.928","0.002","13.642","0.003","84.02","0.01","87.631","0.008","80.447","0.007","1867.2","0.7","225.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100067","10.802","0.002","12.956","0.004","13.709","0.003","83.92","0.01","87.898","0.009","80.611","0.009","1881.8","0.7","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9.09 S10 -","- C48 H72 Cs2 Ni2 O18.18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100068","10.774","0.003","12.977","0.005","13.751","0.003","84.03","0.01","88.06","0.01","80.62","0.01","1886.3","0.9","260.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100069","10.782","0.003","13.05","0.005","13.818","0.004","84.03","0.02","87.93","0.01","80.58","0.01","1907.3","0.1","280.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100070","10.787","0.003","13.061","0.004","13.808","0.003","83.94","0.01","88.09","0.01","80.613","0.009","1908.4","0.9","300.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cs Ni O9 S10 -","- C24 H36 Cs Ni O9 S10 -","- C48 H72 Cs2 Ni2 O18 S20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043527a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100071","7.3798","0.0006","13.422","0.0008","13.582","0.0009","90","","100.51","0.01","90","","1322.7","0.2","100","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Fe N2 S4 -","- C24 H40 Fe N2 S4 -","- C48 H80 Fe2 N4 S8 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042803i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100072","11.4045","0.0006","13.0763","0.0006","31.143","0.002","90","","93.2","0.01","90","","4637.1","0.4","100","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H58 As Co S4 -","- C47 H58 As Co S4 -","- C188 H232 As4 Co4 S16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042803i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100073","9.9942","0.0009","9.5495","0.0008","33.038","0.003","90","","95.405","0.001","90","","3139.1","0.5","100","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 Co O P S Si -","- C35 H36 Co O P S Si -","- C140 H144 Co4 O4 P4 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050160g","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100074","10.8864","0.0005","29.532","0.002","47.439","0.002","90","","90","","90","","15251.5","1.4","293","2","","","","","","","","","","6","I 2 m m","I -2 2","44","","","","- C1.65 H10 N0.82 O5.24 Se U0.59 -","- C2.11706 O5.35082 Se0.999882 U0.588294 -","- C143.96 O363.856 Se67.992 U40.004 -","68","8.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0436289","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100075","7.7697","0.0017","5.6329","0.0013","13.56","0.003","90","","100.345","0.004","90","","583.8","0.2","100","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Br N O2 -","- C12 H14 Br N O2 -","- C24 H28 Br2 N2 O4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0444637","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100076","13.628","0.002","25.586","0.004","18.371","0.003","90","","90.579","0.003","90","","6405.4","1.6","203","2","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H58 B Cr F24 N2 O Si -","- C61 H58 B Cr F24 N2 O Si -","- C244 H232 B4 Cr4 F96 N8 O4 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043877x","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100077","6.6386","0.0003","18.4782","0.0011","19.224","0.001","90","","97.679","0.004","90","","2337","0.2","110","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H8 Cr2 Fe N2 O10 -","- C22 H8 Cr2 Fe N2 O10 -","- C88 H32 Cr8 Fe4 N8 O40 -","4","1","","Siemeling, Ulrich; Rother, Dag; Fink, Heinrich","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0436244","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100078","6.48","0.0013","9.274","0.0019","23.403","0.005","90","","94.18","0.03","90","","1402.7","0.5","130","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Au2 Cl2 Fe N2 -","- C12 H8 Au2 Cl2 Fe N2 -","- C48 H32 Au8 Cl8 Fe4 N8 -","4","1","","Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0436244","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100079","8.6329","0.0012","9.156","0.0013","12.5796","0.0018","99.119","0.002","100.021","0.003","90.017","0.002","966.4","0.2","150","2","","","","","","","","","","5","P -1","-P 1","2","","5-fluorouracil","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C32 H24 F8 N16 O16 -","8","4","","Hulme, Ashley T.; Tocher, Derek A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044336a","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4100080","5.154","0.0016","15.001","0.005","6.654","0.002","90","","110.336","0.005","90","","482.4","0.3","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-fluorouracil","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C16 H12 F4 N8 O8 -","4","1","","Hulme, Ashley T.; Tocher, Derek A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044336a","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100081","5.0433","0.0012","14.935","0.003","6.6049","0.0015","90","","108.884","0.004","90","","470.72","0.19","150","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-fluorouracil form II","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C16 H12 F4 N8 O8 -","4","1","","Hulme, Ashley T.; Tocher, Derek A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044336a","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100082","8.693","0.002","11.595","0.003","22.719","0.006","103.694","0.006","95.94","0.006","90.653","0.005","2211.4","1","293.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C32 H62 Li N2 O2 Pr S2 Si4 -","- C32 H54 Li N2 O2 Pr S2 Si4 -","- C64 H108 Li2 N4 O4 Pr2 S4 Si8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043415j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100083","18.305","0.002","24.227","0.002","24.326","0.003","90","","98.52","0.003","90","","10669.3","1.9","193.1","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C78 H118 Cl Li N4 Nd4 S8 Si8 -","- C78 H112 Cl Li N4 Nd4 S8 Si8 -","- C312 H448 Cl4 Li4 N16 Nd16 S32 Si32 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043415j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100084","13.7062","0.0011","17.0964","0.0013","19.882","0.002","75.817","0.004","83.698","0.005","77.496","0.004","4401.8","0.6","193.1","","","","","","","","","","","9","P -1","-P 1","2","","","","- C52 H100 Cl5 Li N4 O S4 Si8 Sm4 -","- C52 H100 Cl5 Li N4 O S4 Si8 Sm4 -","- C104 H200 Cl10 Li2 N8 O2 S8 Si16 Sm8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043415j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100085","12.201","0.003","13.088","0.003","15.082","0.003","101.45","0.003","106.858","0.002","114.631","0.002","1948.8","0.8","193.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H120 Cl4 Li2 N4 O6 Pr2 Si8 -","- C48 H120 Cl4 Li2 N4 O6 Pr2 Si8 -","- C48 H120 Cl4 Li2 N4 O6 Pr2 Si8 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043415j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100086","13.1658","0.0005","19.81","0.0007","13.5111","0.0005","90","","94.19","0.002","90","","3514.5","0.2","193.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H104 Cl4 Li2 N4 O4 Si8 Sm2 -","- C40 H104 Cl4 Li2 N4 O4 Si8 Sm2 -","- C80 H208 Cl8 Li4 N8 O8 Si16 Sm4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043415j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100087","29.486","0.004","29.833","0.004","37.579","0.005","90","","90","","90","","33057","7","153","2","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H124 Cl Co N13 O31 P -","- C64 H90 Cl Co N13 O31 P -","- C1024 H1440 Cl16 Co16 N208 O496 P16 -","16","4","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja048573p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100088","15.806","0.003","22.471","0.005","25.338","0.005","90","","90","","90","","8999","3","163","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H127 Co N13 O32 P -","- C64 H107 Co N13 O31.9995 P -","- C256 H428 Co4 N52 O127.998 P4 -","4","1","","","Properties and Reactivity of Chlorovinylcobalamin and Vinylcobalamin and Their Implications for Vitamin B~12~-Catalyzed Reductive Dechlorination of Chlorinated Alkenes","Journal of the American Chemical Society","2005","","","","","10.1021/ja048573p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100089","13.788","0.006","10.664","0.005","7.894","0.004","90","","91.77","0.05","90","","1160.1","0.9","180","0.2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 O6 -","- C9 H18 O6 -","- C36 H72 O24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0464903","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100090","10.838","0.005","31.965","0.015","11.817","0.006","90","","112.987","0.006","90","","3769","3","193","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H36 N14 O13 Pt S -","- C25 H24.5 N14 O13 Pt S -","- C100 H98 N56 O52 Pt4 S4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0451620","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100091","10.3067","0.0008","13.3068","0.001","15.1285","0.0011","78.244","0.001","82.033","0.001","70.672","0.001","1911.2","0.2","213","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H44 N14 O14 Pt S -","- C28 H38.5 N13 O13 Pt S -","- C56 H77 N26 O26 Pt2 S2 -","2","1","","Barry, Colin G.; Day, Cynthia S.; Bierbach, Ulrich","Duplex Promoted Platination of Adenine-N3 in the Minor Groove of DNA. Challenging a Longstanding Bioinorganic Paradigm","Journal of the American Chemical Society","2005","","","","","10.1021/ja0451620","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100092","16.812","0.003","20.01","0.003","21.378","0.004","94.557","0.003","97.004","0.005","109.382","0.003","6677.7","1.9","90","2","","","","","","","","","","4","P -1","-P 1","2","Nickeltetra(n-pentyl)porphyrin","","","- C40 H52 N4 Ni -","- C40 H52 N4 Ni -","- C320 H416 N32 Ni8 -","8","4","","Song, Yujiang; Haddad, Raid E.; Jia, Song-Ling; Hok, Saphon; Olmstead, Marilyn M.; Nurco, Daniel J.; Schore, Neal E.; Zhang, Jun; Ma, Jian-Guo; Smith, Kevin M.; Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude; Medforth, Craig J.; Shelnutt, John A.","Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins","Journal of the American Chemical Society","2005","127","4","1179","1192","10.1021/ja045309n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100093","8.4141","0.0019","13.293","0.003","15.281","0.003","82.965","0.006","81.68","0.006","88.189","0.006","1678.3","0.6","90","2","","","","","","","","","","4","P -1","-P 1","2","Ni(tetra-n-pentyl)porphyrin Polymorph II","","","- C40 H52 N4 Ni -","- C40 H52 N4 Ni -","- C80 H104 N8 Ni2 -","2","1","","Song, Yujiang; Haddad, Raid E.; Jia, Song-Ling; Hok, Saphon; Olmstead, Marilyn M.; Nurco, Daniel J.; Schore, Neal E.; Zhang, Jun; Ma, Jian-Guo; Smith, Kevin M.; Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude; Medforth, Craig J.; Shelnutt, John A.","Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins","Journal of the American Chemical Society","2005","127","4","1179","1192","10.1021/ja045309n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100094","14.931","0.002","9.77","0.0015","14.931","0.002","90","","90.94","","90","","2177.8","0.6","273","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C112 H128 O24 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044542i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100095","7.0339","0.0008","9.7592","0.0011","16.0454","0.0019","90","","90","","90","","1101.4","0.2","446","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044542i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100096","8.1004","0.0008","10.1648","0.0011","13.3393","0.0014","90","","98.399","0.002","90","","1086.6","0.2","193","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044542i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100097","12.7483","0.0014","8.5538","0.0009","11.2196","0.0012","90","","96.766","0.002","90","","1214.9","0.2","193","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044542i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100098","6.5607","0.0007","12.2817","0.0013","25.088","0.003","88.583","0.002","87.417","0.002","82.263","0.002","2000.7","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O9 -","- C21 H22 N2 O9 -","- C84 H88 N8 O36 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044542i","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100099","8.3728","0.0013","10.2615","0.0016","18.297","0.003","90","","90","","90","","1572","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044999s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100100","14.856","0.003","9.209","0.003","12.593","0.003","90","","110.039","0.006","90","","1618.5","0.7","193","2","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044999s","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100101","7.8777","0.0015","7.7795","0.0014","13.672","0.003","90","","102.036","0.004","90","","819.5","0.3","213","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H26 Cl N O -","- C15 H26 Cl N O -","- C30 H52 Cl2 N2 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044999s","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100102","13.5209","0.0006","15.1921","0.0007","15.0232","0.0006","90","","108.483","0.003","90","","2926.7","0.2","120","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H70 Cl8 Fe2 P2 Pd2 -","- C58 H70 Cl8 Fe2 P2 Pd2 -","- C116 H140 Cl16 Fe4 P4 Pd4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042930e","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100103","27.8066","0.0006","14.6508","0.0003","44.3633","0.0009","90","","91.67","0.002","90","","18065.4","0.7","193","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C184 H150 Cl10 N44 O46 -","- C184 H142 Cl10 N44 O46 -","- C736 H568 Cl40 N176 O184 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0424631","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100104","31.075","0.006","7.395","0.0015","5.866","0.0012","90","","93.97","0.03","90","","1344.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 S -","- C17 H19 S -","- C68 H76 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043189d","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100105","34.243","0.007","7.5118","0.0015","6.0908","0.0012","90","","90","","90","","1566.7","0.5","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C22 H14 S2 -","- C23.08 H14 S1.87 -","- C92.32 H56 S7.48 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043189d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100106","15.141","0.002","16.7","0.004","6.269","0.001","90","","90","","90","","1585.2","0.5","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl N2 O2 -","- C17 H17 Cl N2 O2 -","- C68 H68 Cl4 N8 O8 -","4","1","","Hideko Koshima","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044472f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100107","11.2352","0.0008","11.5362","0.0008","13.4393","0.0009","65.127","0.001","71.281","0.002","79.797","0.002","1494.92","0.18","153","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C70 H90 N4 -","- C70 H90 N4 -","- C70 H90 N4 -","1","0.5","","Jeremiah A Marsden; MIke M. Haley; Fusen Han","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044175a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100108","13.001","0.002","13.594","0.002","14.847","0.003","112.913","0.004","90.637","0.004","103.57","0.003","2334.1","0.7","153","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H54 N4 O4 -","- C54 H54 N4 O4 -","- C108 H108 N8 O8 -","2","1","","Jeremiah A Marsden; MIke M. Haley; Fusen Han","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044175a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100109","11.4645","0.001","17.7575","0.0015","13.7191","0.0011","90","","92.69","0.001","90","","2789.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N3 Rh -","- C33 H36 N3 Rh -","- C132 H144 N12 Rh4 -","4","1","","Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050154k","","","","","","","","","","","","","","","","","","","","","has coordinates","201210","2020-10-21","18:00:00",""
"4100110","13.552","0.0011","16.2471","0.0013","16.6517","0.0014","77.66","0.001","68.107","0.001","71.664","0.001","3209.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H75 Ag2 B2 F8 N7 Rh2 -","- C68 H75 Ag2 B F4 N7 Rh2 -","- C136 H150 Ag4 B2 F8 N14 Rh4 -","2","1","","Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050154k","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100111","21.9776","0.0019","10.6829","0.0009","21.8444","0.0019","90","","113.597","0.001","90","","4699.9","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H39 Ag3 F9 N4 O9 Rh S3 -","- C38 H39 Ag3 F9 N4 O9 Rh S3 -","- C152 H156 Ag12 F36 N16 O36 Rh4 S12 -","4","1","","Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050154k","","","","","","","","","","","","","","","","","","","","","has coordinates","201210","2020-10-21","18:00:00",""
"4100112","6.6718","0.0014","12.839","0.003","26.802","0.006","90","","90","","90","","2295.8","0.9","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 N O3 -","- C22 H35 N O3 -","- C88 H140 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051002s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100113","9.639","0.0009","23.908","0.002","38.807","0.004","90","","90","","90","","8943.3","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H104 F6 N10 O15 -","- C80 H104 F6 N10 O15 -","- C320 H416 F24 N40 O60 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051002s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100114","6.4102","0.0003","7.5058","0.0004","17.987","0.0004","83.523","0.004","86.529","0.003","85.458","0.004","856.03","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","2 EDT-TTF(methyloxazoline) AsF6","","","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0503884","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100115","6.3918","0.0007","7.502","0.0009","17.941","0.002","83.197","0.014","86.638","0.014","85.548","0.014","850.6","0.17","293","2","293","2","","","","","","","","7","P 1","P 1","1","2 EDT-TTF-methyloxazoline(R)/1 AsF6","","","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","1","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0503884","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100116","6.3962","0.0007","7.4884","0.0009","17.94","0.002","83.13","0.014","86.579","0.014","85.52","0.014","849.41","0.17","293","2","293","2","","","","","","","","7","P 1","P 1","1","2 EDT-TTF-methyloxazoline(S)/1 AsF6","","","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","1","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0503884","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100117","9.4151","0.0019","17.713","0.004","10.369","0.002","90","","92.19","0.03","90","","1727.9","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H37 F3 O3 P2 Ru S -","- C38 H37 F3 O3 P2 Ru S -","- C76 H74 F6 O6 P4 Ru2 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0506410","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100118","10.976","0.002","11.496","0.002","16.223","0.003","96.64","0.03","102.89","0.03","97.58","0.03","1955.7","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H46 F3 N O4 P2 Ru S -","- C41.5 H46 F1.5 N O5.89 P2 Ru S1.13 -","- C83 H92 F3 N2 O11.78 P4 Ru2 S2.26 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0506410","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100119","14.263","0.0018","15.89","0.0016","16.205","0.0015","93.177","0.005","94.693","0.006","95.974","0.006","3632.9","0.7","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H120 Co K O9 Si8 -","- C54 H120 Co K O9 Si8 -","- C108 H240 Co2 K2 O18 Si16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050938y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100120","12.974","0.0007","16.173","0.0009","20.167","0.0007","91.686","0.003","103.374","0.003","100.456","0.002","4037.2","0.3","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C64 H136 Co K N2 O10 Si8 -","- C64 H136 Co K N2 O10 Si8 -","- C128 H272 Co2 K2 N4 O20 Si16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050938y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100121","13.6055","0.0011","18.4233","0.0015","21.069","0.0017","75.016","0.001","83.936","0.001","89.959","0.001","5071.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H82 B F4 N2 O1.5 P2 Ru -","- C51 H82 B F4 N2 O1.5 P2 Ru -","- C204 H328 B4 F16 N8 O6 P8 Ru4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042318n","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100122","16.6552","0.0003","10.3703","0.0001","11.7614","0.0002","90","","90","","90","","2031.42","0.05","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H13 O5 P W -","- C21 H13 O5 P W -","- C84 H52 O20 P4 W4 -","4","0.5","","Borst, Mark L. G.; Bulo, R. E.; Winkel, Christiaan W.; Gibney, Daniele J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","Phosphepines: Convenient Access to Phosphinidene Complexes","Journal of the American Chemical Society","2005","","","","","10.1021/ja050817y","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100123","8.8819","0.0001","10.268","0.0001","10.9361","0.0001","90","","108.66","0.0004","90","","944.939","0.017","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H18 Mn O2 P -","- C23 H18 Mn O2 P -","- C46 H36 Mn2 O4 P2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050817y","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100124","14.459","0.0009","11.522","0.001","19.651","0.002","90","0","109.542","0.005","90","0","3085.2","0.4","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","?","- C35 H31 Cl O4 S2 -","- C140 H124 Cl4 O16 S8 -","4","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100125","11.89","0.0006","14.086","0.0004","17.87","0.0009","90","0","90","0","90","0","2992.9","0.2","200","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","?","- C67 H56 Cl F4 O12 -","- C268 H224 Cl4 F16 O48 -","4","0.5","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100126","11.514","0.0002","15.328","0.0005","18.531","0.0006","78.168","0.001","78.935","0.002","79.867","0.002","3109.6","0.2","200","","","","","","","","","","","5","P -1","-P 1","2","","","","?","- C35.125 H29 Cl1.5 O6 S -","- C140.5 H116 Cl6 O24 S4 -","4","2","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100127","11.335","0.002","11.064","0.002","13.066","0.001","101.128","0.009","102.83","0.01","102.734","0.005","1507.1","0.4","200","","","","","","","","","","","4","P -1","-P 1","2","","","","?","- C35 H29 Cl O7 -","- C70 H58 Cl2 O14 -","2","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100128","15.062","0.0008","20.078","0.001","11.413","0.0004","90","","114.277","0.003","90","","3146.2","0.3","273.2","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 Cl O8 -","- C67 H60 Cl O16 -","- C268 H240 Cl4 O64 -","4","0.5","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100129","12.73","0.0005","14.609","0.0006","17.689","0.0007","90","","90","","90","","3289.7","0.2","273.2","","298","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 F8 O4 P -","- C67 F16 O8 P -","- C268 F64 O32 P4 -","4","0.5","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100130","13.507","0.0004","17.866","0.001","14.609","0.0009","90","","91.321","0.003","90","","3524.4","0.3","273.2","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H35 F6 O6 P -","- C37 H35 F6 O6 P -","- C148 H140 F24 O24 P4 -","4","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100131","18.461","0.0005","13.905","0.0003","12.337","0.0003","90","","90","","90","","3166.9","0.1","273.2","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35 H29 Cl3 O6 -","- C35 H29 Cl3 O6 -","- C140 H116 Cl12 O24 -","4","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100132","12.845","0.008","17.134","0.01","23.896","0.016","90","","92.11","0.05","90","","5256","6","225","2","225","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C100 H131 B N24 O8 S8 -","- C36 H32 B N20 -","- C72 H64 B2 N40 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042233m","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100133","13.045","0.006","17.151","0.008","24.023","0.008","90","","92.21","0.03","90","","5371","4","205","2","205","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C110 H124 B N20 O4 P S4 -","- C36 H32 B N20 -","- C72 H64 B2 N40 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042233m","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100134","12.601","0.0013","18.1778","0.0017","23.825","0.002","90","","97.436","0.005","90","","5411.4","0.9","220","2","220","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C55 H55 B N22 O -","- C36 H32 B N20 -","- C72 H64 B2 N40 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042233m","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100135","6.4971","0.0018","9.484","0.003","12.703","0.004","81.847","0.004","85.104","0.004","70.768","0.004","731","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 N2 Pd Si2 -","- C26 H32 Cl2 N2 Pd Si2 -","- C26 H32 Cl2 N2 Pd Si2 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050713n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100136","14.8055","0.0004","11.5568","0.0003","11.4021","0.0003","90","","91.565","0.002","90","","1950.22","0.09","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H27 Br Cl3 Mo P3 -","- C9 H27 Br Cl3 Mo P3 -","- C36 H108 Br4 Cl12 Mo4 P12 -","4","1","","Francois Stoffelbach; Sébastien Maria; Rinaldo Poli; Philippe Richard; Jean-Claude Daran","Atom transfer radical polymerization catalysis with MoX3(PMe3)3 complexes (X = Cl, Br, I). On the nature and stability of the radical trapping species.","Journal of the American Chemical Society","2005","","","","","10.1021/ja043078e","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100137","11.53","0.002","14.853","0.002","12.033","0.002","90","","90","","90","","2060.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4.5 H13.5 Br2 Mo0.5 P1.5 -","- C4.5 H13.5 Br2 Mo0.5 P1.5 -","- C36 H108 Br16 Mo4 P12 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043078e","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100138","9.1302","0.0009","15.0703","0.0013","18.1518","0.0016","90","","90","","90","","2497.6","0.4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H27 I5 Mo P3 -","- C9 H27 I5 Mo P3 -","- C36 H108 I20 Mo4 P12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043078e","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100139","9.2861","0.0008","18.0913","0.0015","14.6712","0.001","90","","90","","90","","2464.7","0.3","180","2","180","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C10 H29 Cl2 I3 Mo P3 -","- C10 H29 Cl2 I3 Mo P3 -","- C40 H116 Cl8 I12 Mo4 P12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043078e","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100140","6.9562","0.0004","7.0192","0.0004","7.6303","0.0004","64.148","0.003","63.131","0.003","81.167","0.004","298.64","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl2 F2 N2 Pt -","- C10 H8 Cl2 F2 N2 Pt -","- C10 H8 Cl2 F2 N2 Pt -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100141","5.5441","0.0007","7.1432","0.0009","8.6648","0.0011","71.147","0.002","79.634","0.002","85.992","0.002","319.41","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl4 N2 Pt -","- C10 H8 Cl4 N2 Pt -","- C10 H8 Cl4 N2 Pt -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100142","3.9786","0.0011","12.337","0.003","13.624","0.004","89.538","0.004","83.513","0.004","82.951","0.005","659.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br2 Cl2 N2 Pt -","- C10 H8 Br2 Cl2 N2 Pt -","- C20 H16 Br4 Cl4 N4 Pt2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100143","3.9673","0.0007","8.3332","0.0015","10.1785","0.0017","89.126","0.003","82.341","0.003","78.44","0.003","326.71","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br2 Cl2 N2 Pt -","- C10 H8 Br2 Cl2 N2 Pt -","- C10 H8 Br2 Cl2 N2 Pt -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100144","25.414","0.005","4.2034","0.0009","16.357","0.003","90","","126.464","0.003","90","","1405.3","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cl2 I2 N2 Pt -","- C10 H8 Cl2 I2 N2 Pt -","- C40 H32 Cl8 I8 N8 Pt4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100145","3.8484","0.0016","11.719","0.005","15.637","0.007","90","","96.578","0.007","90","","700.6","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl2 F2 N2 O Pd -","- C11 H8 Cl2 F2 N2 O Pd -","- C22 H16 Cl4 F4 N4 O2 Pd2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100146","3.911","0.003","13.721","0.012","12.029","0.01","90","","94.979","0.017","90","","643.1","1.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl4 N2 Pd -","- C10 H8 Cl4 N2 Pd -","- C20 H16 Cl8 N4 Pd2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100147","3.9496","0.0007","13.924","0.002","12.034","0.002","90","","93.529","0.003","90","","660.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br2 Cl2 N2 Pd -","- C10 H8 Br2 Cl2 N2 Pd -","- C20 H16 Br4 Cl4 N4 Pd2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100148","4.1501","0.0006","8.4147","0.0011","10.187","0.0013","90.787","0.002","96.369","0.002","101.532","0.002","346.18","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl2 I2 N2 Pd -","- C10 H8 Cl2 I2 N2 Pd -","- C10 H8 Cl2 I2 N2 Pd -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0435182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100149","28.4817","0.0006","13.1962","0.0003","18.012","0.0002","90","","90.642","0.001","90","","6769.4","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H106 Mg2 N6 O2 -","- C74 H106 Mg2 N6 O2 -","- C296 H424 Mg8 N24 O8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042657g","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100150","12.1589","0.0009","14.8318","0.0009","16.6799","0.0013","87.773","0.007","71.894","0.006","67.208","0.006","2624.4","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H37 N3 Zn -","- C29 H37 N3 Zn -","- C116 H148 N12 Zn4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042657g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100151","19.9588","0.0008","15.0135","0.0006","18.2663","0.0006","90","","104.037","0.002","90","","5310.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 Mg N3 -","- C29 H37 Mg N3 -","- C232 H296 Mg8 N24 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042657g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100152","10.2515","0.0002","13.4228","0.0002","20.9001","0.0003","90","","98.53","0.001","90","","2844.12","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 Mg N3 -","- C31 H41 Mg N3 -","- C124 H164 Mg4 N12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042657g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100153","13.247","0.0002","17.1969","0.0004","15.0233","0.0003","90","","114.499","0.001","90","","3114.29","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 Mg N3 -","- C35 H49 Mg N3 -","- C140 H196 Mg4 N12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042657g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100154","22.0188","0.0011","10.7399","0.0004","17.5903","0.0009","90","","102.75","0.01","90","","4057.2","0.3","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C31 H53 B F12 Mn2 N6 O4 P2 -","- C31 H53 B F12 Mn2 N6 O4 P2 -","- C124 H212 B4 F48 Mn8 N24 O16 P8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042655w","","","","","","","0.0526","","","0.109","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100155","11.311","0.002","12.638","0.002","16.855","0.003","101.11","0.02","108.28","0.02","103.46","0.02","2130.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H58 B Cl2 Mn2 N8 O15 -","- C31 H56 B Cl2 Mn2 N8 O15 -","- C62 H112 B2 Cl4 Mn4 N16 O30 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042655w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100156","17.0472","0.0006","12.1525","0.0004","18.6112","0.0006","90","","90","","90","","3855.6","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H57 Cl2 Mn2 N7 O13 -","- C28 H57 Cl2 Mn2 N7 O13 -","- C112 H228 Cl8 Mn8 N28 O52 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042655w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100157","12.6006","0.0004","13.6769","0.0006","23.4457","0.0008","73.87","0.01","84.33","0.01","65.24","0.01","3524","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H98 B2 Mn2 N8 O5 -","- C77 H98 B2 Mn2 N8 O5 -","- C154 H196 B4 Mn4 N16 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042655w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100158","15.787","0.0019","15.787","0.0019","51.509","0.013","90","","90","","120","","11118","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C27 H33 In N4 O8 -","- C25.1673 H6 In N3.636 O8 -","- C453.012 H108 In18 N65.448 O144 -","18","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051259q","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100159","14.4111","0.0013","16.0466","0.0014","16.7388","0.0015","114.216","0.002","95.441","0.002","91.595","0.002","3504.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H139 In6 N21 O60 -","- C117.24 H128.92 In6 N20.4 O58.42 -","- C117.24 H128.92 In6 N20.4 O58.42 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051259q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100160","17.1741","0.0005","17.1741","0.0005","28.797","0.001","90","","90","","90","","8493.8","0.5","173.2","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H30 O2 Si W -","- C20 H30 O2 Si W -","- C320 H480 O32 Si16 W16 -","16","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050441o","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100161","9.664","0.003","18.513","0.005","15.988","0.004","90","","93.601","0.001","90","","2854.8","1.4","173.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 O2 Si W -","- C31 H36 O2 Si W -","- C124 H144 O8 Si4 W4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050441o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100162","13.37","0.003","10.309","0.002","21.3","0.004","90","","90.762","0.001","90","","2935.6","1","173.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 O3 Si W -","- C33 H40 O3 Si W -","- C132 H160 O12 Si4 W4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050441o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100163","8.396","0.007","14.281","0.011","16.138","0.013","68.477","0.007","84.072","0.007","86.267","0.007","1790","2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H44 Cl2 Cu F6 N6 O3 P -","- C31 H44 Cl2 Cu F6 N6 O3 P -","- C62 H88 Cl4 Cu2 F12 N12 O6 P2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044093m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100164","15.31","0.005","19.927","0.006","28.867","0.009","90","0.0017","94.6626","0.0018","90","0.0017","8778","5","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C107 H110 N4 Pd -","- C107.02 H110 N4 Pd -","- C428.08 H440 N16 Pd4 -","4","1","","Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki","Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2005","127","20","7294","7295","10.1021/ja051054h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219002","2020-10-21","18:00:00",""
"4100165","32.121","0.015","13.23","0.005","25.781","0.012","90","0.0011","125.41","0.0017","90","0.0011","8929","7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H102 Cl2 N4 O4 Pd -","- C99 H92 Cl8 N4 O4 Pd -","- C396 H368 Cl32 N16 O16 Pd4 -","4","0.5","","Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki","Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2005","127","20","7294","7295","10.1021/ja051054h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219002","2020-10-21","18:00:00",""
"4100166","34.854","0.004","17.0305","0.0011","30.778","0.003","90","0.0009","114.649","0.0011","90","0.0009","16605","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H102 N4 O3 Pd -","- C100 H102 N4 O3 Pd -","- C800 H816 N32 O24 Pd8 -","8","1","","Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki","Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2005","127","20","7294","7295","10.1021/ja051054h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219002","2020-10-21","18:00:00",""
"4100167","10.6977","0.001","17.3256","0.0017","16.045","0.002","90","","95.821","0.004","90","","2958.5","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H45 Cl N Rh Si -","- C31 H45 Cl N Rh Si -","- C124 H180 Cl4 N4 Rh4 Si4 -","4","1","","Yves. Canac, Salvador. Conejero; Bruno Donnadieu, Guy. Bertrand; Wolfang. W. Schoeller","Persistent (Amino)(Silyl)Carbenes","Journal of the American Chemical Society","2005","","","","","10.1021/ja051109f","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100168","16.92","0.014","19.249","0.015","17.148","0.013","90","","108.045","0.015","90","","5310","7","253","2","253","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H66 Cl2 N2 O4 Rh2 Si2 -","- C50 H66 Cl2 N2 O4 Rh2 Si2 -","- C200 H264 Cl8 N8 O16 Rh8 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051109f","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100169","12.57","0.003","17.252","0.004","25.295","0.006","90","","90","","90","","5486","2","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 Cl N2 O2 Ru S -","- C30 H31 Cl N2 O2 Ru S -","- C240 H248 Cl8 N16 O16 Ru8 S8 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051486s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100170","8.812","0.001","37.845","0.002","12.032","0.001","90","","97.06","0.01","90","","3982","1","100","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H62 Al N2 O2 Yb -","- C44 H62 Al N2 O2 Yb -","- C176 H248 Al4 N8 O8 Yb4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100171","8.85","0.001","37.991","0.005","12.072","0.003","90","","97.07","0.03","90","","4028","1","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H62 Al Er N2 O2 -","- C44 H62 Al Er N2 O2 -","- C176 H248 Al4 Er4 N8 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100172","8.854","0.001","37.975","0.002","12.106","0.001","90","","97.17","0.01","90","","4039","1","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H62 Al Dy N2 O2 -","- C44 H62 Al Dy N2 O2 -","- C176 H248 Al4 Dy4 N8 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100173","9.13","0.002","12.498","0.003","42.211","0.008","90","","93.36","0.03","90","","4808","2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H70 Al N2 O Yb -","- C54 H70 Al N2 O Yb -","- C216 H280 Al4 N8 O4 Yb4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100174","10.188","0.002","19.669","0.004","10.536","0.002","90","","109.43","0.03","90","","1991","1","133","2","133","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H60 Al Dy N2 O -","- C45 H60 Al Dy N2 O -","- C90 H120 Al2 Dy2 N4 O2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100175","10.214","0.001","19.606","0.001","10.556","0.001","90","","109.37","0.01","90","","1994","1","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H60 Al N2 O Sm -","- C45 H60 Al N2 O Sm -","- C90 H120 Al2 N4 O2 Sm2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100176","8.288","0.002","16.18","0.006","10.394","0.002","90","","98.53","0.02","90","","1378","1","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 O2 Sn2 Yb2 -","- C26 H38 O2 Sn2 Yb2 -","- C52 H76 O4 Sn4 Yb4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100177","16.326","0.002","9.565","0.001","23.801","0.004","90","","94.17","0.01","90","","3707","1","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 N2 Yb -","- C42 H58 N2 Yb -","- C168 H232 N8 Yb4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100178","17.12","0.003","18.184","0.004","12.887","0.003","90","","104.48","0.03","90","","3884","1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H59 Cl N3 Si2 Yb -","- C35 H59 Cl N3 Si2 Yb -","- C140 H236 Cl4 N12 Si8 Yb4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100179","11.0401","0.001","15.2369","0.0019","25","0.002","90","","90","","90","","4205.5","0.8","150","2","150","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C40 H35 B Cl4 F4 Mn N O4 P2 -","- C40 H35 B Cl4 F4 Mn N O4 P2 -","- C160 H140 B4 Cl16 F16 Mn4 N4 O16 P8 -","4","1","","Marta E. G. Mosquera","Crystal structure of compound 7","Journal of the American Chemical Society","2005","","","","","10.1021/ja042879e","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100180","24.315","0.006","13.85","0.004","21.742","0.006","90","","90","","90","","7322","3","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C40 H100 Cl N5 O36 V14 -","- C40 Cl N5 O36 V14 -","- C160 Cl4 N20 O144 V56 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0422209","","","","","","","","","","","","","","","","","","","","","has coordinates","134573","2020-10-21","18:00:00",""
"4100181","9.9186","0.0006","11.3368","0.0006","11.9916","0.0006","89.263","0.002","67.54","0.002","80.873","0.002","1228.66","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 N2 O7 S -","- C23 H28 N2 O7 S -","- C46 H56 N4 O14 S2 -","2","1","","Sammis, Glenn M.; .; Ho, Douglas M.; Sorensen, Erik J.; .","N'-(6-Acetyl-3-methyl-5-phenylcyclohex-2-enyl)-N'-methanesulfonyl- hydrazinedicarboxylic Acid Diallyl Ester","Journal of the American Chemical Society","2005","","","","","10.1021/ja052383c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100182","10.358","0.001","10.358","0.001","10.358","0.001","90","0.009","90","0.009","90","0.009","1111.3","0.3","293","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ga4 Se32 Ta16 -","- Ga4 Se32 Ta16 -","- Ga4 Se32 Ta16 -","1","0.0104167","","Pocha, R.; Johrendt, D.; Ni, B.; Abd.Elmeguid, M.M.","Crystal Structures, Electronic Properties and Presure Induced Superconductivity of the Tetrahedral Cluster Compounds GaNb4S8, GaNb4Se8 and GaTa4Se8","Journal of the American Chemical Society","2005","","","","","10.1021/ja050243x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100183","9.985","0.002","9.985","0.002","9.985","0.002","90","0.009","90","0.009","90","0.009","995.5","0.6","293","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ga4 Nb16 S32 -","- Ga4 Nb16 S32 -","- Ga4 Nb16 S32 -","1","0.0104167","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050243x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100184","12.6109","0.0005","13.6479","0.0004","20.6566","0.0008","102.68","0.003","100.168","0.003","107.999","0.002","3182.3","0.2","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C75 H50 Cl4 O4 Ru2 -","- C75 H50 Cl4 O4 Ru2 -","- C150 H100 Cl8 O8 Ru4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051576x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100185","7.9216","0.0004","10.1467","0.0004","19.4333","0.0008","100.89","0.003","90.896","0.004","97.498","0.003","1519.46","0.12","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 I O2 Ru -","- C37 H25 I O2 Ru -","- C74 H50 I2 O4 Ru2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051576x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100186","13.8174","0.0016","20.133","0.005","20.818","0.002","90","","90","","90","","5791.3","1.7","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H26 O2 Ru -","- C37 H26 O2 Ru -","- C296 H208 O16 Ru8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051576x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100187","7.4716","0.0008","8.133","0.001","20.356","0.002","97.94","0.01","93.89","0.01","104.08","0.01","1181.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N2 S4 -","- C22 H26 N2 S4 -","- C44 H52 N4 S8 -","2","1","","Javier Garin","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051819l","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100188","8.2219","0.0008","9.2783","0.0009","15.7089","0.0015","99.007","0.002","91.117","0.002","97.868","0.002","1171.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 Br O6 -","- C27 H24 Br O6 -","- C54 H48 Br2 O12 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0509984","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100189","7.7032","0.0011","10.0741","0.0014","20.765","0.003","88.043","0.003","81.558","0.003","69.923","0.002","1496.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H35 Br O6 -","- C33 H35 Br O6 -","- C66 H70 Br2 O12 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0509984","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100190","16.926","0.004","16.926","0.004","38.794","0.016","90","","90","","90","","11114","6","220","2","220","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C102 H120 O44 Si3 -","- C102 H120 O44 Si3 -","- C408 H480 O176 Si12 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100191","16.994","0.007","16.994","0.007","37.344","0.006","90","","90","","90","","10785","7","220","2","220","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C34 H36 O12 Si -","- C24 H20 O8 Si -","- C288 H240 O96 Si12 -","12","0.75","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100192","17.3347","0.0008","17.3347","0.0008","36.855","0.003","90","","90","","90","","11074.8","1.1","220","2","220","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C24 H20 O8 Si -","- C24 H20 O8 Si -","- C480 H400 O160 Si20 -","20","1.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100193","17.106","0.005","17.106","0.005","38.635","0.005","90","","90","","90","","11305","5","220","2","220","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C112 H140 O34 Si3 -","- C112 H140 O34 Si3 -","- C448 H560 O136 Si12 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100194","17.05","0.005","17.05","0.005","37.082","0.009","90","","90","","90","","10780","5","220","2","220","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C34.66667 H41.33333 O13.33333 Si -","- C24 H20 O8 Si -","- C288 H240 O96 Si12 -","12","0.75","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052587t","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100195","10.411","0.0006","16.5299","0.001","17.004","0.001","68.432","0.002","83.805","0.002","71.927","0.002","2587","0.3","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H53 N8 Ru2 S Si -","- C57 H53 N8 Ru2 S Si -","- C114 H106 N16 Ru4 S2 Si2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052604e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100196","12.3129","0.0003","12.915","0.0003","21.3187","0.0005","90","","100.849","0.001","90","","3329.53","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 D8 N5 O4 Zr -","- C30 H37 D8 N5 O4 Zr -","- C120 H148 D32 N20 O16 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527976","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100197","10.442","0.002","10.423","0.002","18.967","0.004","91.734","0.004","97.363","0.004","91.588","0.004","2045.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N2 O -","- C27 H20 N2 O -","- C108 H80 N8 O4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0508727","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100198","9.7716","0.0015","10.2228","0.0016","12.723","0.002","91.335","0.003","98.148","0.003","91.295","0.003","1257.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 N2 O3 -","- C31 H26 N2 O3 -","- C62 H52 N4 O6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0508727","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100199","11.896","0.003","11.812","0.003","12.988","0.003","90","","90.592","0.004","90","","1824.8","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H46 N6 O2 -","- C42 H46 N6 O2 -","- C84 H92 N12 O4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051075b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100200","31.635","0.003","7.6556","0.0007","22.102","0.002","90","","133.882","0.001","90","","3858.1","0.6","213","2","213","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H52 Br2 N4 Ni -","- C40 H52 Br2 N4 Ni -","- C160 H208 Br8 N16 Ni4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052935r","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100201","5.574","0.003","7.673","0.004","27.77","0.013","90","","90","","90","","1187.7","0.9","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Br N O3 -","- C11 H12 Br N O3 -","- C44 H48 Br4 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052935r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100202","13.234","0.0006","13.33","0.0007","18.384","0.0009","87.916","0.003","76.263","0.003","60.692","0.002","2734.9","0.2","120","0.1","120","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C45 H103 Si7 -","- C45 H103 Si7 -","- C90 H206 Si14 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053202+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100203","39.64","0.0003","13.649","0.001","20.009","0.0017","90","","90","","90","","10825.8","1.2","120","0.1","120","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C95 H151 B F16 Si10 -","- C95 H151 B F16 Si10 -","- C380 H604 B4 F64 Si40 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053202+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100204","30.746","0.002","13.5846","0.0008","14.3291","0.0009","90","","109.851","0.002","90","","5629.3","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H45 Ga6 N4 O42 P9 Zn3 -","- C18.68 Ga6.19 N3 O39.74 P9 Zn2.82 -","- C74.72 Ga24.76 N12 O158.96 P36 Zn11.28 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512879","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100205","30.748","0.006","13.534","0.003","14.31","0.003","90","","109.733","0.005","90","","5605","2","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H45 Ga6 N4 O42 P9 Zn3 -","- C24 Ga5.914 N4 O43.11 P9 Zn3.08 -","- C96 Ga23.656 N16 O172.44 P36 Zn12.32 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512879","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100206","16.0236","0.001","16.0236","0.001","16.0236","0.001","74.445","0.001","74.445","0.001","74.445","0.001","3732","0.4","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C84.5 H111 N3 O3.5 U -","- C84 H111 N4 O3 U -","- C168 H222 N8 O6 U2 -","2","0.333333","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053497r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100207","16.1204","0.0017","16.1204","0.0017","16.1204","0.0017","73.85","0.002","73.85","0.002","73.85","0.002","3772.4","0.7","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C28 H37 N1.5 O U0.33 -","- C28 H37 N1.5 O U0.333333 -","- C168 H222 N9 O6 U2 -","6","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053497r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100208","27.6121","0.0011","27.6121","0.0011","31.7727","0.0018","90","","90","","90","","24224.4","1.9","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C61 H100 N3 O4 U -","- C61 H100 N3 O4 U -","- C976 H1600 N48 O64 U16 -","16","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053497r","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100209","13.7443","0.0002","13.7443","0.0002","60.7777","0.0002","90","","90","","120","","9943.1","0.2","220","2","220","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C38 H43 O8.5 S3 -","- C33 H28 O6 S3 -","- C396 H336 O72 S36 -","12","0.666667","","Song, Qiuling; Ho, Douglas M.; Pascal Jr.; Robert A.","A Sterically Congested in-Methylcyclophane","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100210","8.822","0.003","16.4","0.005","17.952","0.006","90","","100.581","0.008","90","","2553.2","1.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","{Me2NN]Ni(2,4-lutidine)","","","- C28 H34 N3 Ni -","- C28 H34 N3 Ni -","- C112 H136 N12 Ni4 -","4","1","","Kogut, E.; Wiencko, H. L.; Zhang, L; Cordeau, D. E.; Warren, T. H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100211","11.544","0.004","14.664","0.002","16.55","0.004","90","","106.65","0.02","90","","2684","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Me3NN]Ni(2,4-lutidine)","","","- C30 H38 N3 Ni -","- C30 H38 N3 Ni -","- C120 H152 N12 Ni4 -","4","1","","Kogut, E.; Wiencko, H. L.; Zhang, L.; Cordeau, D. E.;Warren, T. H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100212","10.749","0.004","15.625","0.007","33.698","0.015","90","","98.613","0.013","90","","5596","4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","{[Me2NN]Ni}2(m-NAd)","","","- C52 H65 N5 Ni2 -","- C52 H65 N5 Ni2 -","- C208 H260 N20 Ni8 -","4","1","","Kogut, E.; Wiencko, H. L.; Zhang, L; Cordeau, D. E.; Warren, T. H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100213","17.0088","0.0011","9.2319","0.0006","19.0881","0.0012","90","","90","","90","","2997.3","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","[Me3NN]Ni=NAd","","","- C33 H44 N3 Ni -","- C33 H44 N3 Ni -","- C132 H176 N12 Ni4 -","4","0.5","","Kogut, E.; Wiencko, H. L.; Zhang, L.; Cordeau, D. E.; Warren, Timothy H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100214","10.9909","0.0009","29.777","0.002","11.2275","0.0009","90","","90","","90","","3674.5","0.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","[Me3NN]Ni-NAd(h4-C5H5CoCp)","","","- C43 H54 Co N3 Ni -","- C43 H54 Co N3 Ni -","- C172 H216 Co4 N12 Ni4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100215","25.992","0.006","25.992","0.006","10.506","0.003","90","","90","","90","","7098","3","273","2","273","2","","","","","","","","4","P -4 21 c","P -4 2n","114","[Me3NN]Ni-NHAd","","","- C33 H45 N3 Ni -","- C33 H45 N3 Ni -","- C264 H360 N24 Ni8 -","8","1","","Kogut, E.; Wiencko, H. L.; Zhang, L.; Cordeau, D. E.; Warren, T. H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100216","6.552","0.0003","38.443","0.0003","8.845","0.0003","90","","95.89","0.02","90","","2216.11","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H55 N O10 -","- C48 H55 N O10 -","- C96 H110 N2 O20 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0537068","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100217","8.775","0.0017","10.558","0.002","15.442","0.003","89.165","0.004","79.929","0.004","67.509","0.003","1299.3","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H24 B Cl3 Mo N6 O5 -","- C22 H24 B Cl3 Mo N6 O5 -","- C44 H48 B2 Cl6 Mo2 N12 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0538132","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100218","11.203","0.0002","13.3349","0.0002","14.7243","0.0003","95.661","0.001","96.933","0.001","103.407","0.001","2105.74","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 N2 O3 S -","- C20 H30 N2 O3 S -","- C80 H120 N8 O12 S4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051104i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100219","10.102","0.002","14.204","0.003","17.338","0.004","83.31","0.03","83.62","0.03","88.11","0.03","2455.1","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H45 Mn4 N10 O22.5 -","- C36 H44 Mn4 N10 O22.5 -","- C72 H88 Mn8 N20 O45 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050994z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100220","8.1041","0.0009","9.669","0.001","13.2092","0.0014","90","","94.113","0.002","90","","1032.39","0.19","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Ir N O4 -","- C21 H24 Ir N O4 -","- C42 H48 Ir2 N2 O8 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051532o","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100221","8.3752","0.0012","19.188","0.003","14.088","0.002","90","","96.132","0.002","90","","2251","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 Ir N O4 -","- C23 H28 Ir N O4 -","- C92 H112 Ir4 N4 O16 -","4","1","","Periana, R. A.; Bhalla, G","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051532o","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100222","9.828","0.003","18.793","0.005","25.558","0.007","75.083","0.007","86.603","0.007","80.683","0.006","4501","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H119 Co2 Cr2 N8 O12 -","- C96 H111 Co2 Cr2 N8 O12 -","- C192 H222 Co4 Cr4 N16 O24 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051874u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100223","13.4908","0.0014","19.0632","0.0017","20.867","0.002","90","","96.607","0.002","90","","5330.9","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H55 Cl6 N7 O7 S -","- C48 H55 Cl6 N7 O7 S -","- C192 H220 Cl24 N28 O28 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0522938","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178748","2020-10-21","18:00:00",""
"4100224","17.5831","0.0005","15.311","0.0005","18.6423","0.0007","90","","114.702","0.002","90","","4559.5","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H52 N10 O2 -","- C47 H46 N8 O2 -","- C188 H184 N32 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0522938","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100225","9.75","0.01","10.807","0.012","12.172","0.01","103.37","0.08","95.24","0.08","113.1","0.08","1123.7","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C52 H48 N4 O8 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518880","","","","","","","0.0355","","","0.1044","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100226","10.155","0.008","14.69","0.014","17.696","0.016","113.53","0.07","101.53","0.07","90.01","0.07","2362.1","3.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C104 H96 N8 O16 S4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518880","","","","","","","0.0386","","","0.0879","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100227","9.8027","0.0003","9.5376","0.0003","21.8327","0.0007","90","","100.932","0.002","90","","2004.19","0.11","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 I2 O10 P2 Zn2 -","- C34 H40 I2 O10 P2 Zn2 -","- C68 H80 I4 O20 P4 Zn4 -","2","0.5","","Charette, André B.; Poulard, Cyril; Bélanger-Gariépy, Francine","Structure of CHAR91","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100228","10.2202","0.0008","10.8186","0.0008","31.611","0.002","90","","97.093","0.002","90","","3468.4","0.5","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H98 B2 Li2 O8 -","- C78 H98 B2 Li2 O8 -","- C156 H196 B4 Li4 O16 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178748","2020-10-21","18:00:00",""
"4100229","12.3265","0.0006","12.3265","0.0006","29.6626","0.0019","90","","90","","90","","4507","0.4","133","2","133","2","","","","","","","","5","P 41","P 4w","76","gammma-TBC3_Br_TCE2","","","- C28 H30 Br Cl6 S16 -","- C28 H24 Br Cl6 S16 -","- C112 H96 Br4 Cl24 S64 -","4","1","","Michio M. Matsushita; Tadashi Sugawara","Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100230","12.4007","0.0003","12.4007","0.0003","29.8325","0.001","90","","90","","90","","4587.6","0.2","270","2","270","2","","","","","","","","5","P 41","P 4w","76","gammma-TBC3_Br_TCE2","","","- C28 H30 Br Cl6 S16 -","- C27.8 H16 Br Cl6 S16 -","- C111.2 H64 Br4 Cl24 S64 -","4","1","","Michio M. Matsushita; Tadashi Sugawara","Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100231","12.3954","0.0014","12.3954","0.0014","29.811","0.005","90","","90","","90","","4580.3","1.1","170","2","170","2","","","","","","","","5","P 41","P 4w","76","gammma-TBC3_Br_TCE2","","","- C28 H30 Br Cl6 S16 -","- C28 H24 Br Cl3.55 S16 -","- C112 H96 Br4 Cl14.2 S64 -","4","1","","Michio M. Matsushita; Tadashi Sugawara","Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100232","13.0074","0.0015","5.5271","0.0006","17.063","0.002","90","","106.658","0.002","90","","1175.2","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H35 N O4 -","- C23 H35 N O4 -","- C46 H70 N2 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100233","10.0876","0.0007","15.55","0.001","30.996","0.002","90","","90","","90","","4862.2","0.6","158.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H30 Cl2 N4 O5 P Re -","- C48 H51 Cl6 N3 O4 P Re -","- C192 H204 Cl24 N12 O16 P4 Re4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100234","10.9212","0.001","5.3916","0.0005","17.0437","0.0016","90","","90.27","0.003","90","","1003.57","0.16","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C46 H46 N2 O8 S2 -","2","1","","Evans, P. Andrew; Lai, Kwong Wah; Sawyer, James R.","Regio- and Enantioselective Intermolecular Rhodium-Catalyzed [2+2+2] Carbocyclization Reactions of 1,6-Enynes with Methyl Arylpropiolates","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100235","9.792","0.0005","11.3547","0.0005","21.4063","0.0011","88.0654","0.0016","79.5006","0.0018","89.938","0.004","2338.8","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C43.5 H60 F N2 O7 P -","- C43 H38 F N2 O7 P -","- C86 H76 F2 N4 O14 P2 -","2","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100236","11.2661","0.0002","16.8443","0.0002","30.1188","0.0005","90","","90","","90","","5715.63","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C55 H87 O10 P -","- C55 H87 O10 P -","- C220 H348 O40 P4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100237","9.3397","0.0002","11.4953","0.0003","12.0017","0.0003","79.242","0.002","83.47","0.002","80.402","0.002","1243.62","0.05","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N O5 -","- C28 H33 N O5 -","- C56 H66 N2 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100238","17.3357","0.0003","18.3236","0.0004","11.5161","0.0005","90","","92.498","0.0013","90","","3654.64","0.19","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 N2 O7 S -","- C41 H46 N2 O7 S -","- C164 H184 N8 O28 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100239","11.1857","0.0002","12.2691","0.0003","16.4143","0.0004","87.112","0.001","74.288","0.001","76.143","0.001","2105.14","0.08","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H53 N2 O7 S -","- C47 H53 N2 O7 S -","- C94 H106 N4 O14 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100240","8.8203","0.0005","12.4682","0.0003","16.9791","0.0002","102.634","0.001","90.79","0.001","98.378","0.001","1800.57","0.11","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H45 N3 O8 -","- C38 H44.76 N3 O8 -","- C76 H89.52 N6 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100241","9.0359","0.0004","12.6771","0.0006","14.4654","0.0007","87.72","0.002","78.039","0.002","79.337","0.002","1593.03","0.13","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C34.5 H42 N2 O8.5 -","- C34.5 H42 N2 O8.5 -","- C69 H84 N4 O17 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100242","11.0603","0.0009","14.4019","0.0011","15.575","0.0012","90","","103.891","0.001","90","","2408.4","0.3","90","","90","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C94 H14 S4 Sc3 -","- C94 H14 S4 Sc2.996 -","- C188 H28 S8 Sc5.992 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","201210","2020-10-21","18:00:00",""
"4100243","16.0353","0.0015","25.543","0.002","15.0618","0.0014","90","","90","","90","","6169.2","1","90","","90","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C109 H50 N S2 Sc3 -","- C109 H50 N S2 Sc2.9956 -","- C436 H200 N4 S8 Sc11.9824 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100244","6.5893","0.0013","5.4676","0.0011","18.392","0.003","90","","96.499","0.006","90","","658.4","0.2","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H18 N4 O3 S -","- C10.9991 H17.9979 N4 O3 S0.9997 -","- C21.9982 H35.9958 N8 O6 S1.9994 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4100245","6.0389","0.0007","7.2672","0.0009","12.9258","0.0015","90","","99.908","0.002","90","","558.8","0.11","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 O5 -","- C8 H16 N4 O5 -","- C16 H32 N8 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100246","12.24","0.003","21.081","0.005","6.1137","0.0014","90","","90","","90","","1577.6","0.6","193","2","193","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H22 N4 O4 -","- C12 H22 N4 O4 -","- C48 H88 N16 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100247","4.8451","0.0018","18.326","0.007","8.678","0.003","90","","104.029","0.007","90","","747.5","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H20 N4 O8 -","- C10 H20 N4 O8 -","- C20 H40 N8 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100248","4.9316","0.0007","15.472","0.002","8.6253","0.0013","90","","99.102","0.004","90","","649.84","0.17","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H16 N4 O5 -","- C11 H16 N4 O5 -","- C22 H32 N8 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100249","9.283","0.002","18.035","0.004","8.549","0.002","90","","90","","90","","1431.2","0.6","193","2","193","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22 H42 N8 O9 -","- C22 H42 N8 O9 -","- C44 H84 N16 O18 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100250","11.839","0.017","17.17","0.02","27.07","0.08","90","","92.689","0.019","90","","5497","19","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H74 N4 O8 Pd -","- C62 H74 N4 O8 Pd -","- C248 H296 N16 O32 Pd4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100251","16.191","0.015","24.3","0.02","30.66","0.05","105.54","0.05","101.08","0.05","90.607","0.011","11381","24","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C63.5 H77 N4 O8.5 Pd -","- C63.5 H75.5 N4 O8.5 Pd -","- C508 H604 N32 O68 Pd8 -","8","4","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100252","11.3837","0.0006","36.2251","0.0019","13.6178","0.0008","90","","97.838","0.003","90","","5563.2","0.5","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H74 N4 O8 Pd -","- C62 H74 N4 O8 Pd -","- C248 H296 N16 O32 Pd4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100253","24.017","0.002","12.684","0.001","13.349","0.001","90","","114.421","0.002","90","","3702.7","0.7","146.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 F6 O6 Pt S2 -","- C13 H15 F6 O6 Pt S2 -","- C104 H120 F48 O48 Pt8 S16 -","8","1","","Dmitry Karshtedt","Platinum-Based Catalysts for the Hydroamination of Olefins with Sulfonamides","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100254","12.013","0.009","8.448","0.006","15.988","0.012","90","","104.015","0.013","90","","1574.3","1.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H42 N2 O8 -","- C33 H42 N2 O8 -","- C66 H84 N4 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100255","15.5378","0.0012","15.5378","0.0012","27.043","0.004","90","","90","","90","","6528.9","1.2","27","2","27","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C232 H172 Cl68 N32 O2 Ru8 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100256","15.7834","0.0005","15.7834","0.0005","27.0879","0.0017","90","","90","","90","","6748","0.5","300","2","300","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C232 H172 Cl68 N32 O2 Ru8 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100257","19.4501","0.001","19.4501","0.001","28.922","0.003","90","","90","","120","","9475.6","1.2","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","05090","","","- C24.5 H61 Cl13 Cu3 F18 N6 S2 Sb3 -","- C24.51 H61.02 Cl13.02 Cu3 F18 N6 S2 Sb3 -","- C147.06 H366.12 Cl78.12 Cu18 F108 N36 S12 Sb18 -","6","0.333333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100258","12.81","0.005","24.332","0.005","18.638","0.005","90","","90","","90","","5809","3","173","2","173","2","","","","","","","","8","C 2 2 21","C 2c 2","20","05073","","","- C33 H72 Cl6 Cu3 F18 N6 P3 S2 -","- C33 H72 Cl6 Cu3 F18 N6 P3 S2 -","- C132 H288 Cl24 Cu12 F72 N24 P12 S8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100259","10.9433","0.0007","13.8349","0.001","14.3122","0.0008","72.949","0.005","78.142","0.004","75.68","0.005","1986.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H110 Br2 N2 O4 Ru2 S8 -","- C74 H110 Br2 N2 O4 Ru2 S8 -","- C74 H110 Br2 N2 O4 Ru2 S8 -","1","0.5","","Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.","Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","208160","2020-10-21","18:00:00",""
"4100260","9.4625","0.0008","9.9173","0.0007","16.7418","0.0008","99.58","0.005","92.874","0.005","101.063","0.006","1514.91","0.18","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C65 H76 N2 O2 Ru S4 Si2 -","- C65 H76 N2 O2 Ru S4 Si2 -","- C65 H76 N2 O2 Ru S4 Si2 -","1","1","","Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.","Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","208164","2020-10-21","18:00:00",""
"4100261","11.3865","0.0002","28.604","0.0005","17.1645","0.0003","90","","92.782","0.002","90","","5583.88","0.17","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 Br Cl2 N3 O Ru S4 Si2 -","- C58 H48 Br Cl2 N3 O Ru S4 Si2 -","- C232 H192 Br4 Cl8 N12 O4 Ru4 S16 Si8 -","4","1","","Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.","Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4100262","19.8857","0.0004","10.9211","0.0002","26.5136","0.0005","90","","98.956","0.001","90","","5687.9","0.2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C61 H57 Br N3 O2 Ru S4 Si2 -","- C61 H57 Br N3 O2 Ru S4 Si2 -","- C244 H228 Br4 N12 O8 Ru4 S16 Si8 -","4","0.5","","Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.","Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4100263","25.048","0.002","11.7172","0.001","15.9494","0.0014","90","","94.255","0.002","90","","4668.1","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 Br Cl2 N Ni0.5 -","- C25 H25 Br Cl2 N Ni0.5 -","- C200 H200 Br8 Cl16 N8 Ni4 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100264","10.5395","0.0018","14.49","0.003","19.322","0.004","90","","90","","90","","2950.7","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H40 B10 Cl Li O2 Zr -","- C20 H40 B10 Cl Li O2 Zr -","- C80 H160 B40 Cl4 Li4 O8 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100265","10.556","0.002","24.47","0.0013","13.1219","0.0016","90","","90","","90","","3389.3","0.8","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C29 H50 B10 N2 O Zr -","- C29 H50 B10 N2 O Zr -","- C116 H200 B40 N8 O4 Zr4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201210","2020-10-21","18:00:00",""
"4100266","10.8276","0.0006","11.4701","0.0007","11.7051","0.0007","72.599","0.001","78.075","0.001","86.91","0.001","1357.19","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 B10 N3 O Zr -","- C22 H33 B10 N3 O Zr -","- C44 H66 B20 N6 O2 Zr2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100267","11.4402","0.0009","22.1976","0.0018","15.326","0.0012","90","","91.335","0.002","90","","3890.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H51 B10 N3 O0.5 Zr -","- C29 H51 B10 N3 O0.5 Zr -","- C116 H204 B40 N12 O2 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100268","11.009","0.002","11.266","0.002","22.931","0.005","90","","90","","90","","2844.2","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 B10 N2 Zr -","- C26 H30 B10 N2 Zr -","- C104 H120 B40 N8 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100269","5.4939","0.0011","11.115","0.002","15.503","0.003","90","","90","","90","","946.7","0.3","150","2","150","2","","","","","","","","4","P n 21 m","P -2 -2bc","31","","","","- Bi4 Mn2.7 Ni1.3 O12 -","- Bi4 Mn2.72 Ni1.28 O12 -","- Bi16 Mn10.88 Ni5.12 O48 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100270","11.5598","0.0011","17.1877","0.0019","19.413","0.002","89.31","0.003","86.152","0.003","83.293","0.003","3822.1","0.7","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H36 S11 -","- C40 H36 S11 -","- C160 H144 S44 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100271","16.309","0.004","8.446","0.002","22.011","0.005","90","","94.396","0.006","90","","3022.9","1.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 S7 -","- C32 H36 S7 -","- C128 H144 S28 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100272","12.236","0.003","23.692","0.006","10.969","0.003","90","","90","","90","","3179.9","1.3","193","2","193","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C17 H28 O2 -","- C17 H28 O2 -","- C136 H224 O16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100273","8.6513","0.0014","9.3877","0.0015","19.313","0.003","90","","90","","90","","1568.5","0.4","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O2 -","- C17 H28 O2 -","- C68 H112 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100274","7.6245","0.0009","9.0143","0.0011","11.5451","0.0014","100.447","0.002","101.757","0.002","98.479","0.002","749.82","0.16","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C34 H52 O4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100275","6.431","0.002","17.308","0.006","16.719","0.006","90","","90.93","0.01","90","","1860.7","1.1","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","compound 24","","","- C40 H54 B N O4 Si -","- C40 H54 B N O4 Si -","- C80 H108 B2 N2 O8 Si2 -","2","1","","Biljana Peric Simov; Frank Wuggenig; Kurt Mereiter; Hendrik Andres; Julien France; Peter Schnelli; Friedrich Hammerschmidt","Direct Chemical Synthesis of Chiral Methanol of 98% ee Isolated as its 3,5-Dinitrobenzoate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100276","9.439","0.001","25.767","0.001","9.547","0.001","90","","113.02","0.01","90","","2137.1","0.3","198","2","198","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H53 Cl2 Co N3 O -","- C46 H53 Cl2 Co N3 O -","- C92 H106 Cl4 Co2 N6 O2 -","2","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100277","9.872","0.001","27.669","0.001","13.89","0.001","90","","96.96","0.01","90","","3766.1","0.5","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H47 Cl Co N3 -","- C43 H47 Cl Co N3 -","- C172 H188 Cl4 Co4 N12 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100278","8.775","0.001","22.971","0.001","15.634","0.001","90","","101.2","0.01","90","","3091.3","0.4","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 Cl Co N3 -","- C33 H43 Cl Co N3 -","- C132 H172 Cl4 Co4 N12 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100279","20.027","0.001","12.241","0.001","25.895","0.001","90","","93.75","0.01","90","","6334.6","0.7","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H53 B Br Co F20 N4 -","- C68 H53 B Br Co F20 N4 -","- C272 H212 B4 Br4 Co4 F80 N16 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100280","19.736","0.002","11.967","0.001","16.077","0.002","90","","106.03","0.01","90","","3649.4","0.7","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 N3 -","- C43 H47 N3 -","- C172 H188 N12 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100281","13.521","0.001","16.29","0.001","19.298","0.001","90","","98.26","0.01","90","","4206.4","0.5","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H51 Cl2 Fe N3 -","- C46.5 H51 Cl2 Fe N3 -","- C186 H204 Cl8 Fe4 N12 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219032","2020-10-21","18:00:00",""
"4100282","27.0925","0.001","27.0925","","8.2461","0.0003","90","","90","","90","","6052.7","0.3","117","1","117","1","","","","","","","","4","I -4","I -4","82","","","","- C33 H43 N3 O2 -","- C33 H43 N3 O2 -","- C264 H344 N24 O16 -","8","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100283","11.5856","0.0005","18.9039","0.001","34.762","0.0016","90","","90","","90","","7613.3","0.6","117","1","117","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H51 Cl2 Fe N3 O2 -","- C40 H51 Cl2 Fe N3 O2 -","- C320 H408 Cl16 Fe8 N24 O16 -","8","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100284","35.52","0.003","11.5844","0.001","18.7071","0.0016","90","","90","","90","","7697.6","1.1","117","1","117","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C39 H55 Cl2 Co N3 O3.5 -","- C39 H55 Cl2 Co N3 O3.5 -","- C312 H440 Cl16 Co8 N24 O28 -","8","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100285","11.7149","0.0009","13.5659","0.001","20.8201","0.0016","90","","105.229","0.002","90","","3192.6","0.4","117","1","117","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Co N3 O2 -","- C34 H46 Co N3 O2 -","- C136 H184 Co4 N12 O8 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100286","18.2816","0.0007","13.9935","0.0005","18.7573","0.0007","90","","96.312","0.001","90","","4769.5","0.3","117","1","117","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 B Co F15 N3 O2 -","- C52 H46 B Co F15 N3 O2 -","- C208 H184 B4 Co4 F60 N12 O8 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100287","10.338","0.004","17.76","0.008","11.002","0.005","90","","106.408","0.008","90","","1937.7","1.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H60 O19 V6 -","- C24 H60 O19 V6 -","- C48 H120 O38 V12 -","2","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates","219223","2020-10-21","18:00:00",""
"4100288","17.5332","0.0015","17.5332","0.0015","11.224","0.002","90","","90","","120","","2988.2","0.6","295","2","295","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C24 H60 O19 V6 -","- C24 H66 O19 V6 -","- C72 H198 O57 V18 -","3","0.0833333","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219223","2020-10-21","18:00:00",""
"4100289","10.4567","0.0017","10.5469","0.0017","10.6194","0.0017","88.751","0.004","86.169","0.004","88.269","0.004","1167.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H60 Cl6 O19 Sb V6 -","- C24 H60 Cl6 O19 Sb V6 -","- C24 H60 Cl6 O19 Sb V6 -","1","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219223","2020-10-21","18:00:00",""
"4100290","11.1503","0.0019","11.584","0.002","12.829","0.002","109.445","0.003","102.351","0.004","93.771","0.004","1509.3","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H64 Cl16 O19 Sb2 V6 -","- C26 H64 Cl16 O19 Sb2 V6 -","- C26 H64 Cl16 O19 Sb2 V6 -","1","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates","219223","2020-10-21","18:00:00",""
"4100291","20.8343","0.0012","10.083","0.0006","13.5064","0.0008","90","","90","","90","","2837.3","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H36 O19 V6 -","- C12 H36 O19 V6 -","- C48 H144 O76 V24 -","4","1","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates","219223","2020-10-21","18:00:00",""
"4100292","13.943","0.004","13.943","0.004","16.773","0.006","90","","90","","120","","2823.8","1.5","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Cl6 O19 Sb V6 -","- C4 H12 Cl2 O6.33333 Sb0.333333 V2 -","- C36 H108 Cl18 O57 Sb3 V18 -","9","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219223","2020-10-21","18:00:00",""
"4100293","10.485","0.002","15.867","0.003","16.467","0.003","90","","101.66","0.03","90","","2683","0.9","253","2","253","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H58 P4 Ru -","- C60 H58 P4 Ru -","- C120 H116 P8 Ru2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178748","2020-10-21","18:00:00",""
"4100294","10.235","0.002","11.677","0.002","14.976","0.003","90","","99.97","0.03","90","","1762.8","0.6","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 N2 P4 Ru -","- C32 H52 N2 P4 Ru -","- C64 H104 N4 P8 Ru2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178748","2020-10-21","18:00:00",""
"4100295","13.283","0.003","12.833","0.003","22.746","0.005","90","0.005","90","0.005","90","0.005","3877.3","1.5","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H50 P4 Ru -","- C40 H50 P4 Ru -","- C160 H200 P16 Ru4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100296","12.9478","0.0006","17.5133","0.0009","16.9599","0.0009","90","","111.879","0.001","90","","3568.8","0.3","100","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 Er4 Hg2 N8 Se10 -","- C118.712 H184.78 Cl2 Cr2 N4 O8.678 P2 -","- C237.424 H369.56 Cl4 Cr4 N8 O17.356 P4 -","2","0.5","","Anna Kornienko; Santanu Banerjee; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Heterometallic Chalcogenido Clusters Containing Lanthanides and Main Group Metals: Emissive Precursors to Ternary Solid-State Compounds","Journal of the American Chemical Society","2005","127","","14008","14014","10.1021/ja0534708","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178748","2020-10-21","18:00:00",""
"4100297","27.264","0.004","21.61","0.003","17.695","0.003","90","","90.546","0.003","90","","10425","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H59 Cl0.5 Cr0.5 N5 O3 P2 -","- C58 H59 Cl0.5 Cr0.5 N5 O3 P2 -","- C464 H472 Cl4 Cr4 N40 O24 P16 -","8","2","","Donald J. Darensbourg; Ryan M. Mackiewicz","Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes","Journal of the American Chemical Society","2005","127","","14026","14038","10.1021/ja053544f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100298","14.41","0.004","11.391","0.003","17.611","0.004","90","","103.542","0.005","90","","2810.3","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H40 Cr N7 O2 -","- C60 H80 Cr N7 O2 -","- C120 H160 Cr2 N14 O4 -","2","1","","Donald J. Darensbourg; Ryan M. Mackiewicz","Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes","Journal of the American Chemical Society","2005","127","","14026","14038","10.1021/ja053544f","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100299","9.2374","0.001","18.966","0.002","4.6027","0.0005","90","","90","","90","","806.37","0.15","243","2","243","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C8 H9 N O S -","- C8 H9 N O S -","- C32 H36 N4 O4 S4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100300","9.9894","0.0014","10.6153","0.0015","17.306","0.002","105.875","0.003","92.654","0.003","96.521","0.003","1748","0.4","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 B N7 O S4 Zn -","- C35 H30 B N7 O S4 Zn -","- C70 H60 B2 N14 O2 S8 Zn2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100301","17.64","0.001","9.8639","0.0006","25.2516","0.0016","90","","110.351","0.001","90","","4119.5","0.4","233","2","233","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 B N7 O2.5 S4 Zn -","- C38 H39 B N7 O2.5 S4 Zn -","- C152 H156 B4 N28 O10 S16 Zn4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100302","34.2735","0.0019","10.1637","0.0007","24.2411","0.0015","90","","110.735","0.003","90","","7897.3","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H56 N2 Zr2 -","- C46 H56 N2 Zr2 -","- C368 H448 N16 Zr16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100303","22.2372","0.0005","22.2372","0.0005","12.7232","0.0007","90","","90","","90","","6291.5","0.4","173","2","173","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C36 H52 N2 Zr2 -","- C36 H52 N2 Zr2 -","- C288 H416 N16 Zr16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100304","11.6843","0.0007","12.2044","0.0008","16.2169","0.0011","98.848","0.004","106.712","0.003","96.448","0.003","2158.3","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H67 N2 Zr2 -","- C51 H67 N2 Zr2 -","- C102 H134 N4 Zr4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100305","11.719","0.003","9.905","0.002","17.403","0.005","90","","97.939","0.01","90","","2000.9","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H38 N2 O3 Ru -","- C46 H38 N2 O3 Ru -","- C92 H76 N4 O6 Ru2 -","2","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100306","11.7114","0.0006","11.7098","0.0006","7.9329","0.0004","80.255","0.008","99.759","0.008","39.5969","0.0005","600.46","0.07","","","","","","","","","","","","5","P -1","-P 1","2","","","","- Cu2 La4 Mo O12 Zn -","- Cu2.00001 La4 Mo O12 Zn0.99999 -","- Cu4.00002 La8 Mo2 O24 Zn1.99998 -","2","1","","Li, Guobao; You, Liping; Wei, Wutao; Lu, Yue; Ju, Jing; Wannberg, Anders; Rundlöf, Håkan; Zou, Xiaodong; Yang, Tao; Tian, Shujian; Liao, Fuhui; Toyota, Naoki; Lin, Jianhua","La~4~Cu~3-x~Zn~x~MoO~12~: Zinc-Doped Cuprates with Kagomé Lattices","Journal of the American Chemical Society","2005","127","40","14094","14099","10.1021/ja053489a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","278158","2022-09-26","15:28:11",""
"4100307","15.922","0.002","14.31","0.0018","14.658","0.0018","90","","104.236","0.002","90","","3237.1","0.7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 B Cl3 N7 Rh -","- C26 H44 B Cl3 N7 Rh -","- C104 H176 B4 Cl12 N28 Rh4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100308","10.5031","0.0001","18.9228","0.0003","25.0747","0.0005","90","","90","","90","","4983.55","0.14","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H10 Co O4 -","- C14 H10 Co O4 -","- C224 H160 Co16 O64 -","16","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100309","10.4764","0.0002","10.5116","0.0002","10.9597","0.0002","85.32","0.001","86.288","0.001","88.897","0.001","1200.26","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H40 Co3 N2 O12 -","- C52 H40 Co3 N2 O12 -","- C52 H40 Co3 N2 O12 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100310","13.5935","0.0003","20.5552","0.0005","20.2288","0.0006","90","","101.267","0.001","90","","5543.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C119 H99 Co6 O30 -","- C119 H99 Co6 O30 -","- C238 H198 Co12 O60 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100311","11.3534","0.0001","11.9927","0.0002","23.2928","0.0004","98.732","0.001","90.811","0.001","106.525","0.001","2999.75","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H56 Mn N6 Ni2 O12 -","- C66 H56 Mn N6 Ni2 O12 -","- C132 H112 Mn2 N12 Ni4 O24 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100312","18.7936","0.0003","20.8663","0.0004","25.3089","0.0006","90","","106.229","0.001","90","","9529.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H76 Co2 Ni4 O30 -","- C98 H76 Co2 Ni4 O30 -","- C392 H304 Co8 Ni16 O120 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100313","10.6761","0.0002","19.1023","0.0005","24.9963","0.001","90","","90","","90","","5097.7","0.3","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C28 H20 Co Mn O8 -","- C28 H20 Co Mn O8 -","- C224 H160 Co8 Mn8 O64 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100314","8.836","0.0003","15.257","0.0006","17.437","0.0007","79.554","0.0016","86.526","0.0013","80.798","0.0017","2280.78","0.15","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H26 Cl2 Hg N6 O13 Ru S2 -","- C26 H16 Cl2 Hg N6 O13 Ru S2 -","- C52 H32 Cl4 Hg2 N12 O26 Ru2 S4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100315","13.513","0.003","12.731","0.003","16.728","0.004","90","","111.403","0.004","90","","2679.3","1","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H80 Cl10 Fe4 N6 -","- C32 H80 Cl10 Fe4 N6 -","- C64 H160 Cl20 Fe8 N12 -","2","0.5","","Bennett, Miriam V.; Stoian, Sebastian.; Bominaar, Emile L.; Munck, Eckard; Holm, R. H.","Initial Members of the Family of Molecular Mid-Valent High-Nuclearity Iron Nitrides: [Fe4N2X10]4- and [Fe10N8X12]5- (X = Cl-, Br-)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100316","10.064","0.005","12.042","0.006","24.16","0.012","90","","90.519","0.01","90","","2928","2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H86 Cl10 Fe4 N8 -","- C36 H86 Cl10 Fe4 N8 -","- C72 H172 Cl20 Fe8 N16 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100317","11.502","0.003","11.882","0.003","12.206","0.003","108.305","0.005","103.908","0.005","107.892","0.005","1398.5","0.6","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H80 Br10 Fe4 N6 -","- C32 H80 Br10 Fe4 N6 -","- C32 H80 Br10 Fe4 N6 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100318","43.523","0.015","23.303","0.008","15.201","0.005","90","","90","","90","","15417","9","193","2","193","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C44 H103 Cl12 Fe10 N15 -","- C44 H103 Cl12 Fe10 N15 -","- C352 H824 Cl96 Fe80 N120 -","8","","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100319","11.514","0.003","25.738","0.005","25.254","0.005","90","","90","","90","","7484","3","193","2","193","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C44 H32 Br12 Fe10 N13 -","- C44 H32 Br12 Fe10 N13 -","- C176 H128 Br48 Fe40 N52 -","4","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100320","14.8106","0.0003","10.495","0.0003","30.8449","0.001","90","","103.297","0.0016","90","","4665.9","0.2","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H41 P Ti -","- C24 H41 P Ti -","- C192 H328 P8 Ti8 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052214s","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100321","10.6523","0.0002","14.1425","0.0002","19.0644","0.0003","90.767","0.0011","103.029","0.0008","92.0666","0.0011","2795.62","0.08","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H84 F8 Ti4 -","- C52 H84 F8 Ti4 -","- C104 H168 F16 Ti8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052214s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100322","13.6891","0.0013","19.5881","0.0018","10.1627","0.001","90","","95.125","0.002","90","","2714.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 N Si2 -","- C27 H37 N Si2 -","- C108 H148 N4 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100323","15.202","0.003","16.481","0.003","16.361","0.003","90","","109.26","0.03","90","","3869.6","1.3","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H56 N P2 Rh Si2 -","- C38 H56 N P2 Rh Si2 -","- C152 H224 N4 P8 Rh4 Si8 -","4","0.5","","Krug, C.; Hartwig, J. F.","Transfer of an Amido Group from Rhodium(I) to an Unactivated Olefin","Journal of the American Chemical Society","2005","","","","","10.1021/ja052473h","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100324","9.757","0.002","12.353","0.003","22.411","0.005","90","","101.08","0.03","90","","2650.9","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 N2 P4 Rh2 -","- C54 H76 N2 P4 Rh2 -","- C108 H152 N4 P8 Rh4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052473h","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100325","39.605","0.004","10.0796","0.0008","15.831","0.0014","90","","103.419","0.002","90","","6147.2","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H47 Cl N4 Si2 -","- C27 H47 Cl N4 Si2 -","- C216 H376 Cl8 N32 Si16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178749","2020-10-21","18:00:00",""
"4100326","9.9685","0.0008","12.0502","0.0008","15.0987","0.0011","90","","90","","90","","1813.7","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 Br N2 Si -","- C16 H25 Br N2 Si -","- C64 H100 Br4 N8 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100327","10.0175","0.0008","10.0979","0.0008","16.7974","0.0012","82.555","0.001","86.374","0.002","61.183","0.001","1476.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H45 Br N4 Si2 -","- C26 H45 Br N4 Si2 -","- C52 H90 Br2 N8 Si4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100328","13.4619","0.0013","9.4603","0.0009","27.419","0.003","90","","95.668","0.002","90","","3474.8","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H40 F7.5 I1.5 N4 Si2 -","- C26 H40 F5 I N4 Si2 -","- C104 H160 F20 I4 N16 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100329","10.1224","0.0011","15.9526","0.0018","16.8701","0.0018","90","","90","","90","","2724.2","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H41 Cl3 N4 Si2 -","- C21 H41 Cl3 N4 Si2 -","- C84 H164 Cl12 N16 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100330","10.288","0.0009","11.3745","0.0009","12.3997","0.0009","90","","92.421","0.002","90","","1449.7","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H53 Cl N4 Si2 -","- C24 H53 Cl N4 Si2 -","- C48 H106 Cl2 N8 Si4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100331","12.5909","0.0006","9.8884","0.0005","20.6792","0.001","90","","96.004","0.001","90","","2560.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Cl2 N4 Si2 -","- C20 H40 Cl2 N4 Si2 -","- C80 H160 Cl8 N16 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100332","12.0505","0.0009","16.8545","0.0012","12.7894","0.0009","90","","94.94","0.001","90","","2587.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 Cl2 N4 Si2 -","- C20 H44 Cl2 N4 Si2 -","- C80 H176 Cl8 N16 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100333","9.0609","0.0016","10.806","0.002","13.188","0.004","99.668","0.01","97.413","0.013","97.84","0.009","1245.7","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N O4 S -","- C28 H29 N O4 S -","- C56 H58 N2 O8 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100334","6.5428","0.0003","14.7024","0.0008","31.477","0.002","90","","90","","90","","3027.9","0.3","143.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Br Cl2 N4 O10 -","- C27 H25 Br Cl2 N4 O10 -","- C108 H100 Br4 Cl8 N16 O40 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100335","11.763","0.006","12.695","0.007","14.822","0.008","85.997","0.012","87.468","0.013","78.568","0.012","2163.1","2","293","","","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H46 Cl N O2 P2 Pd -","- C50 H46 Cl N O2 P2 Pd -","- C100 H92 Cl2 N2 O4 P4 Pd2 -","2","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100336","28.1891","0.0011","28.1878","0.0013","12.0345","0.0005","90","","90","","90","","9562.5","0.7","293.1","","","","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C24 H35 Cl N2 Pd -","- C24 H35 Cl N2 Pd -","- C384 H560 Cl16 N32 Pd16 -","16","2","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100337","14.139","0.003","24.411","0.005","15.468","0.003","90","","113.889","0.002","90","","4881.5","1.8","173.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Cl N2 Pd -","- C26.5 H39 Cl2 N2 Pd -","- C212 H312 Cl16 N16 Pd8 -","8","2","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100338","12.278","0.003","13.33","0.003","17.546","0.004","88.863","0.009","88.465","0.008","63.02","0.005","2558.2","1","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H57 Cl N2 P2 Pd -","- C62 H57 Cl N2 P2 Pd -","- C124 H114 Cl2 N4 P4 Pd2 -","2","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100339","18.804","0.003","8.874","0.001","24.37","0.004","89","","89","","90","","4066.7","1.2","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Cl N2 Pd -","- C20 H31 Cl N2 Pd -","- C160 H248 Cl8 N16 Pd8 -","8","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100340","20.739","0.003","22.011","0.003","28.091","0.004","90","","90","","90","","12822.9","3.5","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H45 Cl3 N2 Pd -","- C33 H38.5 Cl3 N2 Pd -","- C528 H616 Cl48 N32 Pd16 -","16","2","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100341","19.546","0.003","17.932","0.003","24.484","0.004","90","","90","","90","","8581.7","2.6","173.1","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H23 Cl N2 Pd -","- C24 H23 Cl N2 Pd -","- C384 H368 Cl16 N32 Pd16 -","16","4","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100342","13.426","0.002","18.748","0.003","19.735","0.003","89.998","0.003","99.884","0.003","89.998","0.003","4893.8","1.4","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H53 Cl N2 P2 Pd -","- C60 H53 Cl N2 P2 Pd -","- C240 H212 Cl4 N8 P8 Pd4 -","4","2","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100343","12.116","0.003","12.229","0.003","19.976","0.005","80.272","0.01","74.98","0.01","64.724","0.008","2579.3","1","173.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H57 Cl N2 O2 P2 Pd -","- C62 H57 Cl N2 O2 P2 Pd -","- C124 H114 Cl2 N4 O4 P4 Pd2 -","2","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100344","12.2613","0.0005","12.4185","0.0005","23.9133","0.0011","90","","90","","90","","3641.2","0.3","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H45 Cl N4 O2 Pd -","- C41 H45 Cl N4 O2 Pd -","- C164 H180 Cl4 N16 O8 Pd4 -","4","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100345","10.0483","0.0009","24.824","0.002","9.4468","0.0003","90","","90","","90","","2356.4","0.7","150.2","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C31 H29 N -","- C31 H29 N -","- C124 H116 N4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100346","23.75","0.02","8.456","0.009","18.78","0.02","90","","118.39","","90","","3318","6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H28 Cl2 O8 -","- C39 H28 Cl2 O8 -","- C156 H112 Cl8 O32 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052828x","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100347","8.4828","0.0008","13.0644","0.0013","13.703","0.002","90","","101.579","0.013","90","","1487.7","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34.2 H14.4 Cl0.4 F12 -","- C34.2 H14.4 Cl0.4 F12 -","- C68.4 H28.8 Cl0.8 F24 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052828x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100348","28.0983","0.0009","12.0933","0.0005","19.9538","0.0007","90","","128.477","0.001","90","","5308","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H64 Cl4 N4 -","- C62 H64 Cl4 N4 -","- C248 H256 Cl16 N16 -","4","0.5","","Yamamoto, Yohsuke; Yamamoto, Akihiro; Furuta, Shin-ya; Horie, Masanori; Kodama, Megumi; Sato, Wataru; Akiba, Kin-ya; Tsuzuki, Seiji; Uchimaru, Tadafumi; Hashizume, Daisuke; Iwasaki, Fujiko","Synthesis and Structure of 16 π Octaalkyltetraphenylporphyrins","Journal of the American Chemical Society","2005","127","42","14540","14541","10.1021/ja052842+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","190779","2020-10-21","18:00:00",""
"4100349","13.1254","0.0006","13.804","0.0006","16.7037","0.0007","103.853","0.001","96.6651","0.001","108.434","0.0013","2726.5","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H74 N4 O2 -","- C64 H74 N4 O2 -","- C128 H148 N8 O4 -","2","1","","Yamamoto, Yohsuke; Yamamoto, Akihiro; Furuta, Shin-ya; Horie, Masanori; Kodama, Megumi; Sato, Wataru; Akiba, Kin-ya; Tsuzuki, Seiji; Uchimaru, Tadafumi; Hashizume, Daisuke; Iwasaki, Fujiko","Synthesis and Structure of 16 π Octaalkyltetraphenylporphyrins","Journal of the American Chemical Society","2005","127","42","14540","14541","10.1021/ja052842+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100350","18.048","0.0003","18.048","0.0003","25.862","0.0006","90","","90","","90","","8424","0.3","200","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C76 H94 N4 O -","- C76 H92 N4 O2 -","- C304 H368 N16 O8 -","4","0.25","","Yamamoto, Yohsuke; Yamamoto, Akihiro; Furuta, Shin-ya; Horie, Masanori; Kodama, Megumi; Sato, Wataru; Akiba, Kin-ya; Tsuzuki, Seiji; Uchimaru, Tadafumi; Hashizume, Daisuke; Iwasaki, Fujiko","Synthesis and Structure of 16 π Octaalkyltetraphenylporphyrins","Journal of the American Chemical Society","2005","127","42","14540","14541","10.1021/ja052842+","","","","","","","","","","","","","","","","","","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4100351","23.509","0.001","10.5602","0.0006","16.909","0.002","90","","99.166","0.006","90","","4144.1","0.5","298.2","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C56 H42 -","- C56 H42 -","- C224 H168 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052864w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100352","12.0856","0.0008","19.236","0.001","15.8922","0.0009","90","","93.143","0.003","90","","3688.9","0.4","298.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 S8 -","- C40 H23 S8 -","- C160 H92 S32 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052864w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100353","8.941","0.001","10.139","0.001","8.765","0.001","90","","90","","90","","794.57","0.15","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H6 F5 N O Si -","- C3 H6 F5 N O Si -","- C12 H24 F20 N4 O4 Si4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100354","11.4","0.01","11.52","0.01","15.24","0.01","67.97","0.04","88.4","0.1","66.31","0.04","1682","2","153.2","","153.2","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H42 B2 F24 Zr2 -","- C76 H42 B2 F24 Zr2 -","- C76 H42 B2 F24 Zr2 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100355","6.9082","0.0014","21.246","0.004","21.65","0.004","64.24","0.03","81.37","0.03","82.51","0.03","2822","1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","N-methylcarbazole - trimeric perfluoro-ortho-phenylene mercury","","","- C31 H11 F12 Hg3 N -","- C31 H11 F12 Hg3 N -","- C124 H44 F48 Hg12 N4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053004i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100356","10.6791","0.0004","8.0091","0.0002","11.6796","0.0004","90","","107.846","0.0015","90","","950.89","0.05","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 B10 N2 -","- C16 H18 B10 N2 -","- C32 H36 B20 N4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053050i","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100357","62.1128","0.001","22.0071","0.0003","14.0494","0.0002","90","","89.9411","0.0008","90","","19204.4","0.5","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H70 B10 I2 P4 Pt2 -","- C30 H70 B10 I2 P4 Pt2 -","- C480 H1120 B160 I32 P64 Pt32 -","16","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053050i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178749","2020-10-21","18:00:00",""
"4100358","7.6658","0.0018","16.54","0.004","26.737","0.006","90","","91.558","0.005","90","","3388.8","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cu N6 O4 S2 -","- C36 H36 Cu N6 O4 S2 -","- C144 H144 Cu4 N24 O16 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053150o","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100359","8.407","0.004","13.578","0.007","15.815","0.006","72.28","0.02","80.88","0.02","89.7","0.03","1695.9","1.4","133.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 F3 N2 O4 S -","- C42 H35 F3 N2 O4 S -","- C84 H70 F6 N4 O8 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053161h","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100360","8.208","0.002","14.152","0.004","16.716","0.005","109.75","0.005","97.638","0.005","90.402","0.003","1808.4","0.9","103.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Cl3 F3 N2 O3 S -","- C42 H32 Cl3 F3 N2 O3 S -","- C84 H64 Cl6 F6 N4 O6 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053161h","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100361","9.057","0.002","19.794","0.003","14.905","0.003","90","","104.157","0.003","90","","2590.8","0.7","113.1","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C37 H26 N2 -","- C37 H26 N2 -","- C148 H104 N8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053161h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100362","17.833","0.004","9.664","0.002","20.097","0.004","90","","104.716","0.004","90","","3349.8","1.3","173","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 F6 S2 Si2 -","- C32 H32 F6 S2 Si2 -","- C128 H128 F24 S8 Si8 -","4","1","","Dr. Naoki Tanifuji; Prof. Kenji Matsuda; Prof. Masahiro. Irie","Regulation of the Photoreactivity and Switching of the Magnetic Interaction in Diarylethenes with 2,5-Bis(arylethynyl) -3-thienyl Group and Nitroxide Radical","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100363","10.539","0.002","12.555","0.003","16.466","0.003","83.57","0.03","80.09","0.03","82.23","0.03","2117.7","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H53 Cl2 N8 Na O5 S -","- C39 H53 Cl2 N8 Na O5 S -","- C78 H106 Cl4 N16 Na2 O10 S2 -","2","1","","Redko, Mikhail Y.; Jackson, James E.; Huang, Rui H.; Dye, James L.","Design and Synthesis of a Thermally Stable Organic Electride","Journal of the American Chemical Society","","127","35","12416","12422","10.1021/ja053216f","","","","","","","","","","","","","","","","","","","","","has coordinates","299975","2025-06-05","08:45:34",""
"4100364","11.074","0.002","14.812","0.003","18.825","0.004","90","","90","","90","","3087.8","1.1","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H48 N8 Na2 -","- C24 H48 N8 Na2 -","- C96 H192 N32 Na8 -","4","0.5","","Redko, Mikhail Y.; Jackson, James E.; Huang, Rui H.; Dye, James L.","Design and Synthesis of a Thermally Stable Organic Electride","Journal of the American Chemical Society","","127","35","12416","12422","10.1021/ja053216f","","","","","","","","","","","","","","","","","","","","","has coordinates","299975","2025-06-05","08:45:35",""
"4100365","10.703","0.002","14.608","0.003","18.606","0.004","90","","90","","90","","2909.1","1","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H48 N8 Na -","- C24 H48 N8 Na -","- C96 H192 N32 Na4 -","4","0.5","","Redko, Mikhail Y.; Jackson, James E.; Huang, Rui H.; Dye, James L.","Design and Synthesis of a Thermally Stable Organic Electride","Journal of the American Chemical Society","","127","35","12416","12422","10.1021/ja053216f","","","","","","","","","","","","","","","","","","","","","has coordinates","299975","2025-06-05","08:45:35",""
"4100366","18.149","0.004","20.315","0.004","27.882","0.006","90","","90","","90","","10280","4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C48 H96 N16 -","- C48 H96 N16 -","- C384 H768 N128 -","8","1","","Redko, Mikhail Y.; Jackson, James E.; Huang, Rui H.; Dye, James L.","Design and Synthesis of a Thermally Stable Organic Electride","Journal of the American Chemical Society","","127","35","12416","12422","10.1021/ja053216f","","","","","","","","","","","","","","","","","","","","","has coordinates","299975","2025-06-05","08:45:35",""
"4100367","14.494","0.003","10.669","0.002","18.43","0.004","90","","90.04","0.03","90","","2850","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 Cl N8 Na O4 -","- C24 H48 Cl N8 Na O4 -","- C96 H192 Cl4 N32 Na4 O16 -","4","1","","Redko, Mikhail Y.; Jackson, James E.; Huang, Rui H.; Dye, James L.","Design and Synthesis of a Thermally Stable Organic Electride","Journal of the American Chemical Society","","127","35","12416","12422","10.1021/ja053216f","","","","","","","","","","","","","","","","","","","","","has coordinates","299975","2025-06-05","08:45:35",""
"4100368","15.3043","0.0004","25.3617","0.0007","27.7091","0.0008","90","","90","","90","","10755.1","0.5","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","germane","","","- C30 H40 Ge -","- C30 H40 Ge -","- C480 H640 Ge16 -","16","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100369","8.1162","0.0002","12.8118","0.0005","24.325","0.0007","90","","90","","90","","2529.39","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O6 S -","- C28 H29 N O6 S -","- C112 H116 N4 O24 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100370","12.012","0.0005","6.8002","0.0003","13.1662","0.0005","90","","115.748","0.003","90","","968.69","0.07","253","2","253","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Diepoxide 6","","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","Katsuhiko Tomooka","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053347g","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100371","20.363","0.002","19.4145","0.0019","13.8696","0.0013","90","","94.4","0.002","90","","5466.9","0.9","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Fe2 N8 Ru2 -","- C60 H62 Fe2 N8 Ru2 -","- C240 H248 Fe8 N32 Ru8 -","4","1","","Ren, Tong","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100372","10.9105","0.0005","16.6264","0.0008","18.1033","0.0009","94.677","0.001","105.625","0.001","109.074","0.001","2936.7","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H68 Fe2 N8 Ru2 -","- C64.802 H62 Fe2 N8 Ru2 -","- C129.604 H124 Fe4 N16 Ru4 -","2","1","","Ren, Tong","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100373","12.2003","0.0006","14.9675","0.0007","18.2981","0.0009","83.358","0.001","74.311","0.001","84.788","0.001","3189.1","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H70 Fe2 N8 Ru2 -","- C70.993 H70 Fe2 N8 Ru2 -","- C141.986 H140 Fe4 N16 Ru4 -","2","1","","Ren, Tong","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100374","26.0092","0.0003","26.0092","0.0003","26.0092","0.0003","90","","90","","90","","17594.7","0.4","298","2","298","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C84 H84 Cl5 F6 O3 P7 Ru3 -","- C84 H84 Cl5 F6 O3 P7 Ru3 -","- C672 H672 Cl40 F48 O24 P56 Ru24 -","8","0.333333","","Chen, Yiyun; .; Ho, Douglas M.; .; Lee, Chulbom; .","Ruthenium-Catalyzed Hydrative Cyclization of 1,5-Enynes","Journal of the American Chemical Society","2005","","","","","10.1021/ja053462r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100375","10.603","0.002","19.515","0.004","27.927","0.006","90","","90","","90","","5779","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H81 Cl3 N8 O11 -","- C53 H81 Cl3 N8 O11 -","- C212 H324 Cl12 N32 O44 -","4","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100376","14.7536","0.0003","15.8798","0.0003","21.4784","0.0004","75.7066","0.0008","80.667","0.001","69.645","0.001","4555.6","0.2","193","","","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H127 Cl N6 O13 Zn -","- C92 H102 Cl N6 O14 Zn -","- C184 H204 Cl2 N12 O28 Zn2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100377","16.588","0.002","16.697","0.002","22.305","0.002","77.2","0.1","89.8","0.1","63.4","0.1","5354","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","calix[6]arene 1,3,5, tri-methoxy, 2,4, di-imidazoyl, 6-benzyl tris- terbutyl phenol, zinc complex, hydrate and methanol solvate, perchlorate salt","","","- C99 H146 Cl N5 O17 Zn -","- C99 H146 Cl N5 O17 Zn -","- C198 H292 Cl2 N10 O34 Zn2 -","2","1","","Olivier Seneque; Marie-Noëlle Rager; Michel Giorgi; Thierry Prangé; Alain Tomas; Olivia Reinaud","Biomimetic Zinc Funnel Complexes Based on Calix[6]N3ArO Ligands: an Acid-Base Switch for Guest Binding","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100378","10.3233","0.0006","11.2864","0.0006","31.2034","0.0018","90","","90","","90","","3635.6","0.4","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 Co2 N O6 P S -","- C34 H40 Co2 N O6 P S -","- C136 H160 Co8 N4 O24 P4 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100379","10.0274","0.0009","15.5465","0.0014","20.3707","0.0018","69.938","0.002","87.374","0.002","83.796","0.002","2965.3","0.5","173","2","100","2","","","","","","","","4","P -1","-P 1","2","trianthryltriphenylborazine-iPr","","","- C76 H68 B3 N3 -","- C76 H68 B3 N3 -","- C152 H136 B6 N6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100380","20.4905","0.001","20.4905","0.001","25.5846","0.0017","90","","90","","120","","9302.8","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","trianthryltriphenylborazine-CF3","","","- C76.5 H51 B3 F9 N3 -","- C76.49 H51 B3 F9 N3 -","- C458.94 H306 B18 F54 N18 -","6","0.333333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100381","26.021","0.002","9.986","0.001","16.95","0.002","90","","99.94","0.01","90","","4338.3","0.7","446","2","446","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H48 S2 -","- C60 H48 S2 -","- C240 H192 S8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100382","13.702","0.004","14.778","0.004","14.861","0.004","118.82","0.03","92.55","0.03","114.21","0.03","2291.5","1.7","446","2","446","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H46 Cl2 S2 -","- C61 H46 Cl2 S2 -","- C122 H92 Cl4 S4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100383","18.38","0.006","24.348","0.008","10.254","0.003","90","","90","","90","","4588.7","2.5","173.1","","","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C47 H71 N O3 Ti -","- C47 H53 N O3 Ti -","- C188 H212 N4 O12 Ti4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053740m","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100384","10.932","0.006","18.807","0.01","22.851","0.012","95.696","0.007","97.034","0.009","96.286","0.006","4604.1","4.1","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H68 O3 Ti -","- C50 H68 O3 Ti -","- C200 H272 O12 Ti4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053740m","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100385","15.589","0.004","18.322","0.004","20.355","0.005","90","","93.609","0.004","90","","5802.1","2.4","173.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H92 O6 Zr -","- C62 H86 O6 Zr -","- C248 H344 O24 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053740m","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100386","8.8395","0.0011","10.6587","0.0015","13.4582","0.0019","90","","105.205","0.002","90","","1223.6","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H16 F3 N O -","- C12 H16 F3 N O -","- C48 H64 F12 N4 O4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100387","9.0626","0.0002","22.3248","0.0004","9.9673","0.0001","90","","101.464","0.001","90","","1976.36","0.06","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl2 N2 O4 -","- C19 H22 Cl2 N2 O4 -","- C76 H88 Cl8 N8 O16 -","4","1","","Michael S. Sherburn; Alan D. Payne; Anthony C. Willis","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100388","9.6231","0.0002","19.1305","0.0004","12.2601","0.0002","90","","109.799","0.0013","90","","2123.59","0.07","200","","200","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H25 N3 O6 -","- C23 H25 N3 O6 -","- C92 H100 N12 O24 -","4","1","","Michael S. Sherburn; Alan D. Payne; Anthony C. Willis","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100389","8.0578","0.0001","14.7735","0.0002","24.2902","0.0003","90","","95.4998","0.0009","90","","2878.24","0.06","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H24 Cl6 N2 O4 -","- C25 H24 Cl6 N2 O4 -","- C100 H96 Cl24 N8 O16 -","4","1","","Michael S. Sherburn; Alan Payne; Anthony C. Willis","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100390","9.9338","0.0002","26.1144","0.0004","7.9396","0.0001","90","","90","","90","","2059.65","0.06","200","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H25 N3 O6 -","- C23 H25 N3 O6 -","- C92 H100 N12 O24 -","4","1","","Michael S. Sherburn; Alan D. Payne; Anthony C. Willis","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100391","13.0062","0.0016","13.7917","0.0017","25.015","0.003","89.6","0.002","75.968","0.002","89.119","0.002","4352.7","0.9","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C78 H152 B3 F12 N4 O2 Rh -","- C78 H152 B3 F12 N4 O2 Rh -","- C156 H304 B6 F24 N8 O4 Rh2 -","2","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100392","8.3325","0.001","15.3628","0.0017","31.061","0.004","90","","90","","90","","3976.1","0.8","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C36 H56 B2 F8 O6 Rh2 -","- C36 H56 B2 F8 O6 Rh2 -","- C144 H224 B8 F32 O24 Rh8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100393","11.6783","0.0015","18.775","0.003","28.507","0.004","90","","97.76","0.003","90","","6193.2","1.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H90 N4 Zn2 -","- C65 H82 N4 Zn2 -","- C260 H328 N16 Zn8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053819r","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100394","6.8233","0.0009","6.8233","0.0009","14.03","0.003","90","","90","","120","","565.67","0.17","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","zincian paratacamite, syn","","","- Cl2 Cu3.58 H6 O6 Zn0.42 -","- Cl2 Cu3.58 H6 O6 Zn0.42 -","- Cl6 Cu10.74 H18 O18 Zn1.26 -","3","0.0833333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100395","6.8342","0.0003","6.8342","0.0003","14.032","0.0012","90","","90","","120","","567.58","0.06","130","2","130","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","herbertsmithite, syn","","","- Cl2 Cu3 H6 O6 Zn -","- Cl2 Cu3 H6 O6 Zn -","- Cl6 Cu9 H18 O18 Zn3 -","3","0.0833333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100396","6.8293","0.0006","6.8293","0.0006","14.024","0.002","90","","90","","120","","566.46","0.12","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl2 Cu3 H6 O6 Zn -","- Cl2 Cu3 H6 O6 Zn -","- Cl6 Cu9 H18 O18 Zn3 -","3","0.0833333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100397","6.8293","0.0006","6.8293","0.0006","14.024","0.002","90","","90","","120","","566.46","0.12","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","zincian paratacamite, syn","","","- Cl2 Cu3.67 H6 O6 Zn0.33 -","- Cl2 Cu3.7 H6 O6 Zn0.3 -","- Cl6 Cu11.1 H18 O18 Zn0.9 -","3","0.0833333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100400","19.3","0.005","4.7397","0.001","16.127","0.004","90","","102.838","0.007","90","","1438.4","0.6","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H25 Cl O -","- C14 H25 Cl O -","- C56 H100 Cl4 O4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100401","6.8584","0.0003","13.6465","0.0008","21.3782","0.0014","90","","90","","90","","2000.9","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 I O4 -","- C20 H29 I O4 -","- C80 H116 I4 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100402","6.448","0.001","20.322","0.003","6.7818","0.001","90","","102.779","0.004","90","","866.7","0.2","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C36 H56 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100403","6.094","0.006","15.229","0.014","20.355","0.018","90","","90","","90","","1889","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 I O4 -","- C18 H27 I O4 -","- C72 H108 I4 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100404","10.089","0.0013","9.621","0.0012","22.019","0.003","90","","102.17","0.003","90","","2089.3","0.5","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H47 B2 Cl2 F8 O2 P2 Rh -","- C38 H47 B2 Cl2 F8 O2 P2 Rh -","- C76 H94 B4 Cl4 F16 O4 P4 Rh2 -","2","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100405","10.6154","0.0008","15.8025","0.0012","25.0896","0.0019","90","","90","","90","","4208.8","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H45 F12 Ir O2 P2 Sb2 -","- C37 H45 F12 Ir O2 P2 Sb2 -","- C148 H180 F48 Ir4 O8 P8 Sb8 -","4","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100406","13.6002","0.0014","13.6002","0.0014","51.477","0.01","90","","90","","90","","9521","2","100","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C42 H49 Cl2 F12 O P2 Rh Sb2 -","- C42 H47 Cl2 F12 O P2 Rh Sb2 -","- C336 H376 Cl16 F96 O8 P16 Rh8 Sb16 -","8","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100407","13.6161","0.0003","13.6161","0.0003","51.58","0.002","90","","90","","90","","9562.8","0.5","100","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C42 H49 Cl2 F12 Ir O P2 Sb2 -","- C42 H47 Cl2 F12 Ir O P2 Sb2 -","- C336 H376 Cl16 F96 Ir8 O8 P16 Sb16 -","8","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100408","13.6029","0.0004","13.6029","0.0004","51.708","0.003","90","","90","","90","","9567.9","0.7","100","2","100","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C42 H50 Cl2 F12 Ir N O P2 Sb2 -","- C42 H48 Cl2 F12 Ir N O P2 Sb2 -","- C336 H384 Cl16 F96 Ir8 N8 O8 P16 Sb16 -","8","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100409","11.3849","0.0008","7.4838","0.0005","13.4086","0.0009","90","","105.204","0.001","90","","1102.46","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 Cl N2 O -","- C25 H29 Cl N2 O -","- C50 H58 Cl2 N4 O2 -","2","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100410","13.6725","0.0003","13.6725","0.0003","52.004","0.003","90","","90","","90","","9721.5","0.6","100","2","100","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C43 H50 Cl2 F12 N O P2 Rh Sb2 -","- C43 H50 Cl2 F12 N O P2 Rh Sb2 -","- C344 H400 Cl16 F96 N8 O8 P16 Rh8 Sb16 -","8","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100411","9.6642","0.0001","18.9689","0.0002","17.8475","0.0002","90","","91.317","0.001","90","","3270.93","0.06","120","1","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 Lu N3 Na3 O24 -","- C21 H27 Lu N3 Na3 O24 -","- C84 H108 Lu4 N12 Na12 O96 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100412","9.6914","0.0004","19.1705","0.0008","18.0663","0.0007","90","","91.671","0.003","90","","3355.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N3 Na3 O24 Y -","- C21 H17 N3 Na3 O24 Y -","- C84 H68 N12 Na12 O96 Y4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100413","15.8453","0.0007","15.8453","0.0007","33.121","0.003","90","","90","","120","","7201.6","0.7","293","2","100","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C36 H52 N8 O15 -","- C36 H52 N8 O15 -","- C216 H312 N48 O90 -","6","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100414","8.0718","0.0016","8.6934","0.0018","12.536","0.003","92.987","0.004","106.117","0.003","112.401","0.003","768.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Cl2 F3 N O2 -","- C15 H10 Cl2 F3 N O2 -","- C30 H20 Cl4 F6 N2 O4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100415","14.911","0.001","20.1383","0.0014","7.0209","0.0005","90","","90.293","0.001","90","","2108.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H42 Ag2 B2 F8 N10 -","- C36 H42 Ag2 B2 F8 N10 -","- C72 H84 Ag4 B4 F16 N20 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100416","14.8307","0.001","20.5641","0.0013","7.0449","0.0005","90","","90.118","0.001","90","","2148.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H36 Ag2 B2 F8 N8 -","- C32 H36 Ag2 B2 F8 N8 -","- C64 H72 Ag4 B4 F16 N16 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100417","11.8734","0.0015","17.225","0.002","22.814","0.003","90.536","0.002","103.247","0.002","108.671","0.002","4285.3","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- H34 K10 Na3 O89 P2 Pd W19 -","- K10 Na3 O89 P2 Pd W19 -","- K20 Na6 O178 P4 Pd2 W38 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100418","11.95","0.0008","17.3589","0.0012","22.9619","0.0016","90.478","0.001","103.281","0.001","108.628","0.001","4375.7","0.5","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- H28 K10 Na3 O89 P2 Pd W19 -","- K10 Na3 O89 P2 Pd W19 -","- K20 Na6 O178 P4 Pd2 W38 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100419","11.9383","0.0016","17.332","0.002","22.94","0.003","90.414","0.003","103.278","0.002","108.585","0.002","4362.1","1","30","2","30","2","","","","","","","","7","P -1","-P 1","2","","","","- H28 K10 Na3 O89 P2 Pd W19 -","- K10 Na3 O89 P2 Pd W19 -","- K20 Na6 O178 P4 Pd2 W38 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100420","17.6882","0.0004","27.3758","0.0007","12.8257","0.0003","90","","100.957","0.001","90","","6097.4","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C80 H64 Cl4 -","- C80 H64 Cl4 -","- C320 H256 Cl16 -","4","0.5","","Song, Qiuling; .; Lebeis, Christopher W.; .; Shen, Xianfeng; .; Ho, Douglas M.; .; Pascal Jr., Robert A.; .","2,3,10,11,18,19-Hexaphenyl-1,4,9,12,17,20-hexamethylhexa-o-phenylene Dichloromethane Disolvate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178750","2020-10-21","18:00:00",""
"4100421","31.7079","0.0012","20.3142","0.0008","26.6109","0.001","90","","109.871","0.002","90","","16120.1","1.1","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C210 H147 N7 O14 -","- C168 H112 -","- C672 H448 -","4","1","","Song, Qiuling; .; Lebeis, Christopher W.; .; Shen, Xianfeng; .; Ho, Douglas M.; .; Pascal Jr., Robert A.; .","3^3,3^4,3^5,3^6,6^3,6^4,6^5,6^6,9^3,9^4,9^5,9^6,12^3,12^4,12^5,12^6- Hexadecaphenyl-1,2(1,4),3(1,2),4,5(1,4),6(1,2),7,8(1,4),9(1,2),10,- 11(1,4),12(1,2)-dodecabenzenacyclododecaphane Nitrobenzene Heptasolvate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100422","11.6499","0.0002","19.9833","0.0003","20.8163","0.0003","90","","95.872","0.001","90","","4820.68","0.13","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C64 H54 O6 -","- C56 H38 O2 -","- C224 H152 O8 -","4","0.5","","Song, Qiuling; .; Lebeis, Christopher W.; .; Shen, Xianfeng; .; Ho, Douglas M.; .; Pascal Jr., Robert A.; .","1,2-Bis[4-(4-formylphenyl)phenyl]-3,4,5,6-tetraphenylbenzene Ethyl Acetate Disolvate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100423","13.1326","0.0016","5.8396","0.0008","26.555","0.003","90","","91.813","0.004","90","","2035.5","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 I N2 O9 -","- C17 H19 I N2 O9 -","- C68 H76 I4 N8 O36 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4100424","53.617","0.012","7.403","0.0017","6.5735","0.0015","90","","94.259","0.004","90","","2602","1","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H8 F10 O2 S4 -","- C30 H8 F10 O2 S4 -","- C120 H32 F40 O8 S16 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100425","6.0174","0.0008","7.4293","0.001","52.685","0.007","90","","93.137","0.002","90","","2351.8","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 O2 S4 -","- C30 H18 O2 S4 -","- C120 H72 O8 S16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100426","11.043","0.004","10.218","0.004","16.867","0.006","90","","92.803","0.0013","90","","1901.1","1.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N2 P -","- C24 H19 N2 P -","- C96 H76 N8 P4 -","4","1","","Masaki Yamamura; Naokazu Kano; Takayuki Kawashima","Thermal and Photo-control of the Equilibrium between a Phosphinoazobenzene and an Inner Phosphonium Salt","Journal of the American Chemical Society","2005","","","","","10.1021/ja054293d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100427","11.968","0.009","13.961","0.009","15.856","0.012","92.877","0.016","105.566","0.015","98.843","0.016","2510","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H61 Cl2 N11 O9 -","- C39 H55 Cl2 N11 O7 -","- C78 H110 Cl4 N22 O14 -","2","1","","Kang Sung-Ok; Powell, Douglas; Bowman-James, Kristin","Anion Binding Motifs: Topicity and Charge in Amidocryptands","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100428","15.063","0.005","16.368","0.005","20.627","0.006","95.197","0.008","92.281","0.009","99.878","0.009","4982","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H64 N12 O15 S -","- C39 H61.7855 N11 O14.5 S -","- C156 H247.142 N44 O58 S4 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100429","25.422","0.011","20.991","0.009","11.102","0.004","90","","104.961","0.01","90","","5724","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C49 H79 Cl2 N15 O11 -","- C45 H73 Cl2 N13 O11 -","- C180 H292 Cl8 N52 O44 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100430","13.235","0.004","13.829","0.004","17.234","0.005","79.429","0.006","85.435","0.006","68.223","0.005","2879.2","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H87 N11 O25 -","- C43 H81 N11 O22 -","- C86 H162 N22 O44 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100431","11.2325","0.0006","23.7339","0.0013","28.7821","0.0016","90","","90","","90","","7673","0.7","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C120 H46 Ce2 S6 Si2 -","- C120 H46 Ce2 S6 Si2 -","- C480 H184 Ce8 S24 Si8 -","4","1","","Akasaka, Takeshi","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100432","9.1428","0.0003","9.1428","0.0003","8.2587","0.0006","90","","90","","90","","690.35","0.06","293","","294","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- K O7 Si2 U -","- K O7 Si2 U -","- K4 O28 Si8 U4 -","4","0.25","","Chih-Shan Chen; Shang-Fan Lee; Kwang-Hwa Lii","K(UO)Si2O6: A Pentavalent-Uranium Silicate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100433","13.893","0.0002","32.511","0.0008","11.792","0.0004","90","","110.68","0.001","90","","4983","0.2","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H84 Ge Li O Si5 -","- C42 H84 Ge Li O Si5 -","- C168 H336 Ge4 Li4 O4 Si20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100434","6.4334","0.0011","13.248","0.002","11.4784","0.0018","90","","98.002","0.004","90","","968.8","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H26 Br N O3 S -","- C15 H26 Br N O3 S -","- C30 H52 Br2 N2 O6 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054401w","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100435","13.712","0.002","23.001","0.004","30.221","0.005","90","","91.006","0.006","90","","9530","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C110 H124 B2 Fe2 N Na O5 P6 -","- C110 H124 B2 Fe2 N Na O5 P6 -","- C440 H496 B8 Fe8 N4 Na4 O20 P24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178750","2020-10-21","18:00:00",""
"4100436","23.519","0.005","13.524","0.003","25.937","0.006","90","","95.178","0.004","90","","8216","3","96","2","96","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H98 B2 Fe2 N O2 P6 -","- C98 H98 B2 Fe2 N O2 P6 -","- C392 H392 B8 Fe8 N4 O8 P24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100437","5.1796","0.0009","15.931","0.003","7.7324","0.0012","90","","90.41","0.003","90","","638.04","0.18","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C28 H36 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100438","5.2384","0.001","13.518","0.003","13.72","0.003","90","","90","","90","","971.5","0.3","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100439","5.0429","0.0007","9.789","0.0013","33.327","0.005","90","","90","","90","","1645.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O5 -","- C18 H15 Br O5 -","- C72 H60 Br4 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100440","11.743","0.002","8.1468","0.0015","16.04","0.003","90","","94.742","0.004","90","","1529.3","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15.5 H19 Cl O5 -","- C15.5 H19 Cl O5 -","- C62 H76 Cl4 O20 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100441","5.4579","0.0015","18.473","0.006","9.635","0.003","90","","104.069","0.004","90","","942.3","0.5","193","2","193","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100442","15.666","0.0016","14.2237","0.0015","11.4188","0.0012","90","","102.645","0.002","90","","2482.7","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N2 O3 -","- C30 H30 N2 O3 -","- C120 H120 N8 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100443","15.7191","0.0007","15.8526","0.0007","12.402","0.0006","90","","110.888","0.001","90","","2887.3","0.2","218","2","218","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N4 O6 Pd2 -","- C30 H28 N4 O6 Pd2 -","- C120 H112 N16 O24 Pd8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100444","13.9833","0.0015","27.405","0.003","27.411","0.003","104.281","0.002","94.969","0.002","101.353","0.002","9878.8","1.8","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C147.5 H185.5 Cl34.5 F18 N3 O30 P3 -","- C142 H180 Cl18 F18 N3 O30 P3 -","- C284 H360 Cl36 F36 N6 O60 P6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100445","10.3817","0.0015","20.576","0.003","8.7912","0.0013","90","","101.985","0.003","90","","1837","0.5","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 -","- C25 H22 -","- C100 H88 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100446","13.4641","0.0013","11.2411","0.0011","14.4956","0.0014","90","","99.602","0.002","90","","2163.2","0.4","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 -","- C30 H24 -","- C120 H96 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100447","18.7703","0.0015","11.8068","0.0009","21.5849","0.0015","90","","108.256","0.007","90","","4542.8","0.6","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H45 O2 P3 Ru -","- C56 H45 O2 P3 Ru -","- C224 H180 O8 P12 Ru4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100448","12.329","0.0013","12.731","0.0014","14.5591","0.0016","83.334","0.013","65.932","0.012","66.29","0.011","1907.3","0.4","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H42 N O2 P3 Ru -","- C43 H42 N O2 P3 Ru -","- C86 H84 N2 O4 P6 Ru2 -","2","1","","Guy Lavigne et al.","Instant base-promoted"" generation of Roper's type Ru(0) complexes...","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100449","13.6063","0.0015","15.7331","0.001","19.9643","0.0018","90","","102.34","0.012","90","","4175","0.7","180","2","180","2","","","","","","","","6","P 21/n","-P 2yn","14","","","","- C48 H45 N2 O2 P3 Ru -","- C48 H45 N2 O2 P3 Ru -","- C192 H180 N8 O8 P12 Ru4 -","4","","","Lavigne, G.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","34330","2020-10-21","18:00:00",""
"4100450","38.406","0.002","10.1745","0.0006","23.4954","0.0011","90","","107.838","0.005","90","","8739.8","0.8","180","2","180","2","","","","","","","","6","C 2/c","-C 2yc","15","","","","- C47 H48 O3 P2 Ru Si -","- C47 H48 O3 P2 Ru Si -","- C376 H384 O24 P16 Ru8 Si8 -","8","","","Lavigne, G.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","34330","2020-10-21","18:00:00",""
"4100451","5.946","0.0003","11.5541","0.0007","12.6351","0.0009","96.432","0.003","95.564","0.004","103.692","0.002","831.18","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H17 Cl N2 O3 S -","- C17.5 H17 Cl N2 O3 S -","- C35 H34 Cl2 N4 O6 S2 -","2","1","","Streuff, Jan; Hövelmann, Claas H.; Nieger, Martin; Muniz, Kilian","Palladium-Catalyzed Intramolecular Diamination of Unfunctionalized Alkenes","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100452","32.672","0.006","10.77","0.002","15.855","0.003","90","","116.19","0.03","90","","5006.2","1.6","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H42 Cl N2 O P Ru -","- C22.5 H42 Cl N2 O P Ru -","- C180 H336 Cl8 N16 O8 P8 Ru8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052862b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100453","10.3337","0.0005","11.6537","0.0006","14.5004","0.0007","70.113","0.002","75.377","0.002","80.004","0.002","1581.5","0.14","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Ar*2Fe","","","- C72 H98 Fe S2 -","- C72 H98 Fe S2 -","- C72 H98 Fe S2 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100454","10.3845","0.0015","11.6674","0.0017","14.568","0.002","69.444","0.011","75.886","0.011","80.284","0.012","1596","0.4","130","2","130","2","","","","","","","","4","P -1","-P 1","2","(Bert*S)2Mn","","","- C72 H98 Mn S2 -","- C72 H98 Mn S2 -","- C72 H98 Mn S2 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100455","10.38","0.0015","11.5353","0.0017","14.359","0.002","72.834","0.005","83.944","0.004","78.82","0.003","1609.4","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","(Ar*S)2Cr","","","- C72 H98 Cr S2 -","- C72 H98 Cr S2 -","- C72 H98 Cr S2 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100456","10.212","0.004","11.828","0.005","14.54","0.006","70.942","0.007","83.534","0.008","80.246","0.008","1632.8","1.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","(Ar*S)~2~Zn","","","- C72 H98 S2 Zn -","- C72 H98 S2 Zn -","- C72 H98 S2 Zn -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100457","11.665","0.003","16.711","0.003","18.263","0.004","103.453","0.006","106.382","0.011","99.023","0.006","3226","1.2","91","2","91","2","","","","","","","","4","P -1","-P 1","2","(Bert*S2)Co","","","- C72 H98 Co S2 -","- C72 H98 Co S2 -","- C144 H196 Co2 S4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100458","14.887","0.009","29.093","0.018","22.814","0.01","90","","130.73","0.02","90","","7488","7","91","2","91","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Ar*S)2Ni.2PhMe","","","- C86 H114 Ni S2 -","- C86 H114 Ni S2 -","- C344 H456 Ni4 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042958q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100459","10.6403","0.0013","19.65","0.003","17.091","0.002","90","","94.803","0.002","90","","3560.9","0.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H22 Al F15 Zr -","- C40 H22 Al F15 Zr -","- C160 H88 Al4 F60 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0429622","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100460","9.921","0.003","18.683","0.003","14.218","0.003","90","","101.4","0.02","90","","2583.3","1","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 N3 O4 -","- C30 H27 N3 O4 -","- C120 H108 N12 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0455291","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100461","14.883","0.006","13.509","0.004","20.809","0.009","90","","92.07","0.04","90","","4180","2","93.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Cl8 N4 O5 -","- C40 H34 Cl8 N4 O5 -","- C160 H136 Cl32 N16 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0455291","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100462","11.819","0.002","13.49","0.002","15.6589","0.0009","106.26","0.01","106.353","0.01","100.402","0.005","2206.7","0.5","113.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H49 N5 O8 -","- C50 H49 N5 O8 -","- C100 H98 N10 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0455291","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100463","10.704","0.003","11.993","0.003","13.714","0.003","87.72","0.02","87.36","0.02","85.13","0.02","1751.2","0.8","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 N4 O8 -","- C40 H38 N4 O8 -","- C80 H76 N8 O16 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0455291","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100464","12.1433","0.0007","12.3153","0.0007","15.6682","0.0009","82.247","0.001","86.606","0.001","81.976","0.001","2297.1","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C70 F30 -","- C70 F30 -","- C140 F60 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050305j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100465","20.65","0.003","27.279","0.0016","19.546","0.003","90","","91.404","0.005","90","","11007","2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C156 H117 K O9 -","- C156 H117 K O9 -","- C624 H468 K4 O36 -","4","1","","Matsuo, Yutaka; Nakamura, Eiichi","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050318x","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100466","15.777","0.005","17.554","0.005","21.761","0.005","81.86","0.005","72.851","0.005","77.342","0.005","5600","3","153","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C159 H124 K2 O9 -","- C159 H120 K2 O9 -","- C318 H240 K4 O18 -","2","1","","Matsuo, Y.; Nakamura, E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050318x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100467","9.3455","0.0006","11.4513","0.0008","14.9049","0.0008","90","","99.072","0.002","90","","1575.1","0.2","263.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0508323","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100468","8.6118","0.0006","8.2267","0.0005","22.13","0.001","90","","97.9041","0.0006","90","","1553","0.2","296.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0508323","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100469","33.417","0.002","33.417","0.002","12.6691","0.0018","90","","90","","90","","14148","2","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C72 H98 B4 N4 O8 -","- C72 H98 B4 N4 O8 -","- C576 H784 B32 N32 O64 -","8","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051073r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178750","2020-10-21","18:00:00",""
"4100470","9.209","0.0005","14.712","0.0008","12.5178","0.0006","90","","109.01","0.03","90","","1603.42","0.15","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H13 Cl2 Fe2 N O11 -","- C6 H13 Cl2 Fe2 N O11 -","- C24 H52 Cl8 Fe8 N4 O44 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100471","14.754","0.003","23.596","0.004","9.273","0.0017","90","","90","","90","","3228.2","1","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C6 H13 Cl2 Fe2 N O11 -","- C6 Cl2 Fe2 N O11 -","- C48 Cl16 Fe16 N8 O88 -","8","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100472","11.1633","0.0018","10.7657","0.0018","13.605","0.002","90","","90.146","0.003","90","","1635","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","- C84 H72 N4 O8 -","2","0.5","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512172","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100473","16.1429","0.0017","16.8733","0.0018","17.309","0.0019","89.578","0.002","89.332","0.002","88.507","0.002","4712.7","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H108 Fe2 N4 O12 -","- C112 H108 Fe2 N4 O12 -","- C224 H216 Fe4 N8 O24 -","2","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100474","14.624","0.003","16.815","0.003","19","0.004","101.087","0.004","108.835","0.004","96.944","0.004","4254.2","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C92.5 H66 Cl9 F8 Fe2 N4 O8 -","- C92.5 H64 Cl9 F8 Fe2 N4 O8 -","- C185 H128 Cl18 F16 Fe4 N8 O16 -","2","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100475","15.623","0.017","16.588","0.018","16.961","0.018","63.993","0.018","88.56","0.02","72.31","0.02","3733","7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H136 Cl14 Fe6 N8 O20 -","- C156 H136 Cl14 Fe6 N8 O20 -","- C156 H136 Cl14 Fe6 N8 O20 -","1","0.5","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100476","10.4297","0.0019","13.26","0.002","14.204","0.003","110.408","0.003","99.903","0.003","96.652","0.003","1780.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H56 F8 Fe2 N4 O10 -","- C88 H56 F8 Fe2 N4 O10 -","- C88 H56 F8 Fe2 N4 O10 -","1","0.5","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100477","10.501","0.003","13.256","0.004","15.364","0.004","112.975","0.004","100.074","0.004","94.916","0.004","1910.4","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H80 Fe2 N4 O10 -","- C96 H80 Fe2 N4 O10 -","- C96 H80 Fe2 N4 O10 -","1","0.5","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100478","16.155","0.003","17.578","0.003","23.105","0.004","92.951","0.003","91.752","0.003","94.955","0.003","6524.2","1.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C142 H122 Cl8 Fe2 N4 O14 -","- C142 H122 Cl8 Fe2 N4 O14 -","- C284 H244 Cl16 Fe4 N8 O28 -","2","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100479","17.422","0.001","14.772","0.0013","36.703","0.002","90","","101.969","0.004","90","","9240.4","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C95 H108 Fe4 N0 O19 -","- C95 H108 Fe4 O19 -","- C380 H432 Fe16 O76 -","4","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0512531","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100480","26.815","0.0015","26.815","0.0015","23.7356","0.0018","90","","90","","120","","14780.4","1.6","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C83 H128 Cl2 N4 O17.33 Zn -","- C83 H128 Cl1.96433 N4 O17.1907 Zn -","- C498 H768 Cl11.786 N24 O103.144 Zn6 -","6","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051299u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100481","8.9046","0.0005","17.4366","0.001","20.8837","0.0012","92.292","0.001","92.525","0.001","92.968","0.001","3232.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H58 Ir N P2 -","- C32 H58 Ir N P2 -","- C128 H232 Ir4 N4 P8 -","4","2","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051300p","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100482","9.3998","0.0007","31.751","0.002","11.3603","0.0008","90","","113.128","0.001","90","","3118","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H56 Ir N P2 -","- C30 H56 Ir N P2 -","- C120 H224 Ir4 N4 P8 -","4","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051300p","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100483","23.2568","0.0017","21.2282","0.0016","14.2049","0.001","90","","123.311","0.001","90","","5860.7","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H52 Ir N P2 -","- C28 H52 Ir N P2 -","- C224 H416 Ir8 N8 P16 -","8","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051300p","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100484","6.3945","0.0016","10.532","0.003","8.707","0.002","90","","102.679","0.005","90","","572.1","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N O -","- C12 H21 N O -","- C24 H42 N2 O2 -","2","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051330s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100485","18.151","0.004","14.728","0.003","16.064","0.003","90","","96.93","0.03","90","","4263","2","293","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cu2 N12 O14 -","- C29 H44 Cu2 N21 O14 -","- C116 H176 Cu8 N84 O56 -","4","1","","M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer","Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex","Journal of the American Chemical Society","2005","","","15061","","10.1021/ja051357b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100486","10.323","0.005","13.178","0.007","31.61","0.02","90","","94.41","0.02","90","","4287","4","293","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 B2 Cu2 F8 N8 O6 -","- C40 H48 B2 Cu2 F8 N8 O6 -","- C160 H192 B8 Cu8 F32 N32 O24 -","4","1","","M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer","Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex","Journal of the American Chemical Society","2005","","","15061","","10.1021/ja051357b","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100487","14.5986","0.0016","20.862","0.002","28.726","0.003","90","","90","","90","","8748.7","1.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H48 Cu2 N11 O15 P -","- C39 H46 Cu2 N11 O15 P -","- C312 H368 Cu16 N88 O120 P8 -","8","1","","M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer","Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex","Journal of the American Chemical Society","2005","","","15061","","10.1021/ja051357b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100488","18.8716","0.001","18.4126","0.0009","14.8895","0.0008","90","","90","","90","","5173.7","0.5","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C44 H52 Cl3 Cu3 N11 O15 -","- C44 H53 Cl3 Cu3 N11 O15 -","- C176 H212 Cl12 Cu12 N44 O60 -","4","0.5","","M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer","Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex","Journal of the American Chemical Society","2005","","","15061","","10.1021/ja051357b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100489","9.869","0.004","13.787","0.006","29.042","0.012","90","","97.765","0.007","90","","3915","3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 Fe2 N2 O3 P2 S2 -","- C43 H34 Fe2 N2 O3 P2 S2 -","- C172 H136 Fe8 N8 O12 P8 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051584d","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100490","9.8843","0.0003","12.807","0.0004","16.246","0.0005","90","","90","","90","","2056.55","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br2 N3 O3 -","- C20 H17 Br2 N3 O3 -","- C80 H68 Br8 N12 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051650b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100491","8.3448","0.0007","8.2704","0.0007","10.2329","0.0009","90","","110.033","0.001","90","","663.5","0.1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C28 H36 O10 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051745d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100492","8.5029","0.0007","16.5521","0.0014","9.2757","0.0008","90","","92.45","0.002","90","","1304.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C56 H72 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051745d","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100493","10.631","0.003","6.5388","0.0017","15.525","0.004","90","","101.755","0.004","90","","1056.5","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051745d","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100494","15.8683","0.001","11.002","0.002","26.673","0.003","90","","90","","90","","4656.5","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H23 O P -","- C32 H23 O P -","- C256 H184 O8 P8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100495","9.668","0.0006","18.5565","0.0014","13.8635","0.0017","90","","104.847","0.008","90","","2404.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 O2 -","- C33 H24 O2 -","- C132 H96 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178750","2020-10-21","18:00:00",""
"4100496","13.085","0.002","11.329","0.002","13.562","0.003","90","","109.002","0.014","90","","1900.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100497","8.7697","0.0009","9.8373","0.0007","18.649","0.002","97.78","0.006","103.258","0.011","99.454","0.007","1519.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H32 N2 O -","- C40 H32 N2 O -","- C80 H64 N4 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100498","10.2408","0.0005","14.2305","0.0008","17.7423","0.0013","90","","101.205","0.009","90","","2536.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 N2 O -","- C34 H28 N2 O -","- C136 H112 N8 O4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100499","10.3635","0.0012","11.9949","0.0017","28.844","0.003","90","","99.327","0.008","90","","3538.2","0.8","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cl2 Cr N O3 -","- C40 H44 Cl2 Cr N O3 -","- C160 H176 Cl8 Cr4 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178750","2020-10-21","18:00:00",""
"4100500","10.0877","0.0014","12.7206","0.0013","15.0052","0.0016","68.125","0.006","71.097","0.008","88.279","0.008","1681.4","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H43 Cl2 Cr N O3 -","- C38 H43 Cl2 Cr N O3 -","- C76 H86 Cl4 Cr2 N2 O6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
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"4100506","18.188","0.003","18.188","0.003","8.1281","0.0016","90","","90","","90","","2688.7","0.8","288","2","288","2","","","","","","","","6","P 4/n :2","-P 4a","85","CoL4","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100507","17.958","0.003","17.958","0.003","8.0826","0.0016","90","","90","","90","","2606.6","0.7","4","2","4","2","","","","","","","","6","P 4/n :2","-P 4a","85","NiL4","","","- C52 H60 N12 Ni O12 S -","- C52 H60 N12 Ni O12 S -","- C104 H120 N24 Ni2 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100508","18.028","0.003","18.028","0.003","8.1143","0.0016","90","","90","","90","","2637.2","0.7","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","NiL4","","","- C52 H60 N12 Ni O12 S -","- C52 H60 N12 Ni O12 S -","- C104 H120 N24 Ni2 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100509","18.0055","0.0005","18.0055","0.0005","8.0891","0.0003","90","","90","","90","","2622.47","0.14","4","2","4","2","","","","","","","","6","P 4/n :2","-P 4a","85","Zn_4K_p4n","","","- C52 H60 N12 O12 S Zn -","- C52 H60 N12 O12 S Zn -","- C104 H120 N24 O24 S2 Zn2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100510","18.076","0.0005","18.076","0.0005","8.1208","0.0003","90","","90","","90","","2653.41","0.14","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","Zn_120K_P4n","","","- C52 H60 N12 O12 S Zn -","- C52 H60 N12 O12 S Zn -","- C104 H120 N24 O24 S2 Zn2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100511","18.124","0.0006","18.124","0.0006","8.1865","0.0003","90","","90","","90","","2689.1","0.16","296","2","296","2","","","","","","","","6","P 4/n :2","-P 4a","85","ZnL4 D19","","","- C52 H60 N12 O12 S Zn -","- C52 H60 N12 O12 S Zn -","- C104 H120 N24 O24 S2 Zn2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100512","18.084","0.003","18.084","0.003","8.054","0.002","90","","90","","90","","2633.9","0.9","30","2","30","2","","","","","","","","6","P -4","P -4","81","CoTUP","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100513","18.07","0.003","18.07","0.003","8.0756","0.0016","90","","90","","90","","2636.9","0.7","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100514","18.028","0.003","18.028","0.003","8.1143","0.0016","90","","90","","90","","2637.3","0.7","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H60 N12 Ni O12 S -","- C52 H60 N12 Ni O12 S -","- C104 H120 N24 Ni2 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100515","17.846","0.003","17.846","0.003","8.3019","0.0017","90","","90","","90","","2644","0.8","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H60 Cu N12 O12 S -","- C52 H60 Cu N12 O12 S -","- C104 H120 Cu2 N24 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100516","18.076","0.0005","18.076","0.0005","8.1208","0.0003","90","","90","","90","","2653.41","0.14","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H60 N12 O12 S Zn -","- C52 H60 N12 O12 S Zn -","- C104 H120 N24 O24 S2 Zn2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100517","8.8381","0.001","18.5394","0.0019","26.865","0.003","90","","90","","90","","4401.9","0.8","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 N2 O7 S Si -","- C48 H54 N2 O7 S Si -","- C192 H216 N8 O28 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052151d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100518","16.301","0.002","20.044","0.003","27.789","0.004","90","","95.832","0.003","90","","9033","2","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H109 Fe3 N2 Ni O1.5 P S13 -","- C76 H75 Fe3 N2 Ni O1.5 P S13 -","- C304 H300 Fe12 N8 Ni4 O6 P4 S52 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052381s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100519","18.258","0.003","18.942","0.004","27.283","0.004","78.38","0.019","88.961","0.011","81.981","0.013","9152","3","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C76.5 H101.25 Fe3 N3.25 O0.25 P2 Pd S13 -","- C76.505 H100.5 Fe3 N3.25 O0.25 P2 Pd S13 -","- C306.02 H402 Fe12 N13 O P8 Pd4 S52 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052381s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100520","18.256","0.004","19.011","0.005","27.376","0.008","78.797","0.014","89.16","0.04","81.827","0.016","9225","4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H111.5 Fe3 N3.5 P2 Pt S13 -","- C76 H99 Fe3 N3.5 P2 Pt S13 -","- C304 H396 Fe12 N14 P8 Pt4 S52 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052381s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100521","23.945","0.004","34.261","0.006","22.48","0.004","90","","111.899","0.004","90","","17111","5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H101 Fe4 N5 S14 -","- C75 H93 Fe4 N5 S14 -","- C600 H744 Fe32 N40 S112 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052381s","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100522","12.847","0.003","13.073","0.003","29.484","0.006","87.695","0.004","83.999","0.004","62.947","0.004","4385.6","1.6","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H100.5 Fe4 N2.5 O P S14 -","- C82 H99 Fe4 N2.5 O P S14 -","- C164 H198 Fe8 N5 O2 P2 S28 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052381s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100523","9.32","0.002","19.38","0.004","8.096","0.0018","90","","90","","90","","1462.3","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H10 B F4 Mn O3 -","- C15 H10 B F4 Mn O3 -","- C60 H40 B4 F16 Mn4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100524","9.6434","0.0014","15.0779","0.0017","12.3093","0.0019","90","","90.289","0.012","90","","1789.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Mn2 O5 -","- C21 H16 Mn2 O5 -","- C84 H64 Mn8 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100525","12.956","0.003","7.105","0.002","8.327","0.002","90","","90","","90","","766.6","0.3","298","2","298","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C17 H12 Mn2 O5 -","- C17 H12 Mn2 O5 -","- C34 H24 Mn4 O10 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","0.0489","","","0.125","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100526","7.4875","0.0011","11.8536","0.0012","17.787","0.002","90","","90.785","0.01","90","","1578.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Fe Mn O3 -","- C18 H13 Fe Mn O3 -","- C72 H52 Fe4 Mn4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","0.0475","","","0.0973","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100527","12.412","0.003","8.07","0.003","17.78","0.004","90","","102.15","0.02","90","","1741","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Mn2 O6 -","- C18 H12 Mn2 O6 -","- C72 H48 Mn8 O24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","0.0534","","","0.1204","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100528","8.4388","0.001","10.3101","0.0015","15.789","0.002","90.064","0.013","93.306","0.01","111.463","0.01","1276","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 Mn2 O8 P -","- C23 H27 Mn2 O8 P -","- C46 H54 Mn4 O16 P2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","0.0501","","","0.1236","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100529","17.4257","0.001","7.8816","0.0005","11.0119","0.0006","90","","90","","90","","1512.4","0.15","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H8 B F4 Mn O3 -","- C15 H8 B F4 Mn O3 -","- C60 H32 B4 F16 Mn4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100530","10.5826","0.0007","18.6465","0.0012","17.0073","0.0011","90","","98.474","0.001","90","","3319.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H20 B2 F8 Mn2 O6 -","- C38 H20 B2 F8 Mn2 O6 -","- C152 H80 B8 F32 Mn8 O24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100531","14.636","0.005","25.02","0.009","15.322","0.005","90","","90","","90","","5611","3","90","2","90","2","","","","","","","","7","C m c 21","C 2c -2","36","2{[(μ3-S)(AuCNC6H11)3](PF6)}","","","- C21 H33 Au3 F6 N3 P S -","- C21 H33 Au3 F6 N3 P S -","- C168 H264 Au24 F48 N24 P8 S8 -","8","1","","Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L.","A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~)","Journal of the American Chemical Society","2005","127","31","10838","10839","10.1021/ja052799q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","264766","2021-05-03","09:48:25",""
"4100532","15.1136","0.0008","26.613","0.0014","15.988","0.0009","90","","90","","90","","6430.7","0.6","190","2","190","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C24 H39 Au3 F6 N3 S Sb -","- C24 H39 Au3 F6 N3 S Sb -","- C192 H312 Au24 F48 N24 S8 Sb8 -","8","1","","Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L.","A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~)","Journal of the American Chemical Society","2005","127","31","10838","10839","10.1021/ja052799q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","264766","2021-05-03","09:48:25",""
"4100533","14.9353","0.0011","15.7717","0.0012","26.457","0.002","90","","91.1412","0.0014","90","","6231","0.8","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H39 Au3 F6 N3 S Sb -","- C24 H39 Au3 F6 N3 S Sb -","- C192 H312 Au24 F48 N24 S8 Sb8 -","8","4","","Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L.","A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~)","Journal of the American Chemical Society","2005","127","31","10838","10839","10.1021/ja052799q","","","","","","","","","","","","","","","","","","","","","has coordinates","264766","2021-05-03","09:48:25",""
"4100535","10.1218","0.0016","17.502","0.003","18.76","0.003","108.138","0.003","98.883","0.003","106.553","0.003","2917.5","0.8","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H70 N8 O12 S4 -","- C50 H70 N8 O12 S4 -","- C100 H140 N16 O24 S8 -","2","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0529337","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100536","39.028","0.008","7.6664","0.0015","15.523","0.003","90","","96.35","0.03","90","","4615.9","1.6","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H45 N7 O15 S3 -","- C34 H43 N7 O15 S3 -","- C136 H172 N28 O60 S12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0529337","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100537","8.6821","0.0008","10.7405","0.001","24.115","0.002","90","","90","","90","","2248.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N2 O6 S -","- C19 H30 N2 O6 S -","- C76 H120 N8 O24 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0529337","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100538","12.524","0.0019","15.788","0.002","30.928","0.005","90","","90","","90","","6115.4","1.6","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H51 N O2 P2 Ru Si2 -","- C24 H51 N O2 P2 Ru Si2 -","- C192 H408 N8 O16 P16 Ru8 Si16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052973a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100539","12.3817","0.0008","11.1746","0.0007","30.4532","0.0019","90","","100.81","0.001","90","","4138.7","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H60 B2 Cl2 F8 O2 Os P2 -","- C34 H60 B2 Cl2 F8 O2 Os P2 -","- C136 H240 B8 Cl8 F32 O8 Os4 P8 -","4","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Modrego, J.; Oñate, E.","Hydride-Alkenycarbyne to Alkenylcarbene Transformation in Bisphosphine-Osmium Complexes","Journal of the American Chemical Society","2005","","","","","10.1021/ja053186g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100540","18.2946","0.0017","10.9593","0.001","21.991","0.002","90","","92.074","0.002","90","","4406.2","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 B2 F8 N3 Os P2 -","- C39 H63 B2 F8 N3 Os P2 -","- C156 H252 B8 F32 N12 Os4 P8 -","4","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Modrego, J.; Oñate, E.","Hydride-Alkenycarbyne to Alkenylcarbene Transformation in Bisphosphine-Osmium Complexes","Journal of the American Chemical Society","2005","","","","","10.1021/ja053186g","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100541","10.5144","0.0007","20.9994","0.0013","13.8029","0.0008","90","","111.103","0.001","90","","2843.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Fe N2 O4 -","- C36 H32 Fe N2 O4 -","- C144 H128 Fe4 N8 O16 -","4","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Modrego, J.; Oñate, E.","Hydride-Alkenycarbyne to Alkenylcarbene Transformation in Bisphosphine-Osmium Complexes","Journal of the American Chemical Society","2005","","","","","10.1021/ja053408a","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100542","19.35","0.03","5.11","0.007","6.988","0.01","90","","90","","90","","691.1","1.7","121.1","","","","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C6 H20 Br3 N4 Ni -","- C6 H24 Br3 N4 Ni -","- C12 H48 Br6 N8 Ni2 -","2","0.25","","Mari Sasaki; Shinya Takaishi; Hitoshi Miyasaka; Ken-ichi Sugiura; Masahiro Yamashita","Novel Quasi-One-Dimensional Halogen-Bridged PtII-PtIV Mixed-Valence Compounds with Magnetic Counter-anions, {[Pt(en)2][PtX2(en)2]}3{(MX5)X3}2 12H2O (M=Co2+, Mn2+, and Fe2+; X=Cl- and Br-)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100543","20.8","0.03","5.136","0.006","7.102","0.009","90","","101.33","0.02","90","","744","1.6","121.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Br3 N4 Ni -","- C8 H24 Br3 N4 Ni -","- C16 H48 Br6 N8 Ni2 -","2","0.5","","Mari Sasaki; Shinya Takaishi; Hitoshi Miyasaka; Ken-ichi Sugiura; Masahiro Yamashita","Direct Observation of Real Disorder of Methyl Group of (R)-1,2-Diaminopropane Ligand in Quasi-1D Bromo-Bridged Ni(III) Complex by STM","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100544","5.6585","0.0006","7.9422","0.0008","26.129","0.003","90","","90","","90","","1174.3","0.2","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C48 H64 N8 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100545","11.647","0.003","11.647","0.003","26.381","0.008","90","","90","","90","","3578.5","1.5","213","2","213","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C44 H32 Cl2 Ni P2 -","- C44 H32 Cl2 Ni P2 -","- C176 H128 Cl8 Ni4 P8 -","4","0.5","","Evans, David A.; Thomson, Regan J.","Ni(II) Tol-BINAP-Catalyzed Enantioselective Orthoester Alkylations of N-Acylthiazolidinethiones","Journal of the American Chemical Society","2005","127","30","10506","10507","10.1021/ja053386s","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100546","13.6928","0.0008","15.6738","0.0009","22.562","0.0013","104.489","0.001","98.279","0.001","102.292","0.001","4480","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H30 Ag15 F33 N6 O22 -","- C56 H30 Ag15 F33 N6 O22 -","- C112 H60 Ag30 F66 N12 O44 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100547","8.6188","0.0009","39.546","0.004","13.9061","0.0014","90","","100.988","0.002","90","","4652.8","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H13 Ag8 B0 F18 N3 O14.5 -","- C28 H13 Ag8 F18 N3 O14.5 -","- C112 H52 Ag32 F72 N12 O58 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100548","11.6882","0.0008","13.7871","0.0009","32.499","0.002","90","","97.748","0.001","90","","5189.3","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C62 H18 Ag20 F42 N2 O37 -","- C62 H18 Ag19.996 F42 N2 O37 -","- C124 H36 Ag39.992 F84 N4 O74 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100549","6.575","0.004","34.86","0.02","6.896","0.004","90","","96.31","0.016","90","","1571","1.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100550","12.865","0.004","10.424","0.003","29.519","0.008","90","","99.343","0.005","90","","3906.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 F2 P3 Rh -","- C48 H40 F2 P3 Rh -","- C192 H160 F8 P12 Rh4 -","4","1","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100551","13.3165","0.0007","19.8008","0.0011","20.23","0.0011","90","","100.206","0.001","90","","5249.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H57 F P3 Rh -","- C66 H57 F P3 Rh -","- C264 H228 F4 P12 Rh4 -","4","1","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100552","9.702","0.006","22.373","0.013","22.947","0.013","90","","90","","90","","4981","5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H55 F O P3 Rh -","- C58 H55 F O P3 Rh -","- C232 H220 F4 O4 P12 Rh4 -","4","1","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100553","12.4782","0.0009","20.1446","0.0014","16.0477","0.0011","90","","95.785","0.001","90","","4013.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H41 F3 P3 Rh -","- C48 H41 F3 P3 Rh -","- C192 H164 F12 P12 Rh4 -","4","1","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100554","36.569","0.003","13.3334","0.0011","26.1782","0.0019","90","","90","","90","","12764.2","1.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C124.5 H113 Cl5 F12 N4 P10 Ru2 -","- C122 H108 F12 N4 P10 Ru2 -","- C488 H432 F48 N16 P40 Ru8 -","4","0.5","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100555","6.4449","0.0003","9.0872","0.0004","9.9654","0.0006","90","0.002","96.794","0.0019","90","0.002","579.54","0.05","90","0.2","90","0.2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","1,3-dimethylcyclopenta[c]thienyltricarbonylmanganese","","","- C12 H9 Mn O3 S -","- C12 H9 Mn O3 S -","- C24 H18 Mn2 O6 S2 -","2","0.5","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100556","11.1212","0.0002","13.214","0.0002","13.3159","0.0003","66.5713","0.0009","85.037","0.0009","76.7723","0.0009","1747.85","0.06","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","1,3-diphenylcyclopenta[c]thienyltricarbonylmanganese","","","- C22 H13 Mn O3 S -","- C22 H13 Mn O3 S -","- C88 H52 Mn4 O12 S4 -","4","2","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100557","13.0577","0.0012","13.3559","0.0014","22.142","0.002","90","","90","","90","","3861.5","0.6","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 F12 I4 N Na O6 -","- C30 H24 F12 I4 N Na O6 -","- C120 H96 F48 I16 N4 Na4 O24 -","4","1","","Andrea Mele; Pierangelo Metrangolo; Hannes Neukirch; Tullio Pilati; Giuseppe Resnati","A Halogen Bonding-Based Heteroditopic Receptor for Alkali Metal Halides","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100558","15.229","0.002","10.9352","0.0017","20.058","0.003","90","","103.385","0.003","90","","3249.6","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cl2 Mo O5 P -","- C32 H41 Cl2 Mo O5 P -","- C128 H164 Cl8 Mo4 O20 P4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100559","30.656","0.01","9.859","0.003","20.754","0.007","90","","122.007","0.004","90","","5319","3","120","0.1","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H37 Mo O3 P S -","- C26 H37 Mo O3 P S -","- C208 H296 Mo8 O24 P8 S8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100560","10.903","0.002","11.395","0.002","12.157","0.002","104.57","0.03","108.57","0.03","103.77","0.03","1299.8","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H34 Br Mo O3 P -","- C25 H34 Br Mo O3 P -","- C50 H68 Br2 Mo2 O6 P2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100561","8.9","0.0018","23.129","0.005","13.248","0.003","90","","94.72","0.03","90","","2717.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 Mo O3 P S -","- C26 H37 Mo O3 P S -","- C104 H148 Mo4 O12 P4 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100562","6.7184","0.0013","17.702","0.004","22.591","0.005","90","","90","","90","","2686.8","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Br Cl N O3 S2 -","- C27 H29 Br Cl N O3 S2 -","- C108 H116 Br4 Cl4 N4 O12 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100563","34.764","0.007","7.7896","0.0016","8.8527","0.0018","90","","101.6","0.03","90","","2348.3","0.8","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H28 Cl N O3 S2 -","- C22 H28 Cl N O3 S2 -","- C88 H112 Cl4 N4 O12 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100564","7.5875","0.0015","28.279","0.006","10.105","0.002","90","","91.42","0.03","90","","2167.6","0.7","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H12.5 Cl N O3 S2 -","- C22 H26 Cl N O3 S2 -","- C88 H104 Cl4 N4 O12 S8 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100565","8.461","0.001","26.688","0.004","26.69","0.004","60.028","0.015","89.981","0.017","89.782","0.017","5220.8","1.3","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H63 N15 Na4.25 O44.5 P3 U3 -","- C30 H30 N15 Na4.26 O44.215 P3 U3 -","- C60 H60 N30 Na8.52 O88.43 P6 U6 -","2","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","286259","2023-09-07","06:00:48",""
"4100566","12.9232","0.0001","19.6316","0.0002","22.5922","0.0003","90","","94.371","0.001","90","","5715.04","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fe(OEP)(2-MeIm)]K(222)","","","- C58 H85 Fe K N8 O6 -","- C58 H85 Fe K N8 O6 -","- C232 H340 Fe4 K4 N32 O24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100567","12.431","0.003","21.078","0.004","23.879","0.005","90","","95.74","0.03","90","","6225","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Fe(TPP)(2-MeIm)]K(222)","","","- C69 H71.5 Cl0.5 Fe K N8 O6 -","- C69 H69 Cl0.5 Fe K N8 O6 -","- C276 H276 Cl2 Fe4 K4 N32 O24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100568","16.115","0.005","11.761","0.003","8.482","0.003","90","","90","","90","","1607.6","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H24 F2 Ir P -","- C14 H22 F2 Ir P -","- C56 H88 F8 Ir4 P4 -","4","0.5","","Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold","A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium","Journal of the American Chemical Society","2005","127","","15020","15021","10.1021/ja055166k","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100569","12.6958","0.0017","17.033","0.002","17.415","0.002","109.33","0.002","100.572","0.002","90.329","0.002","3484.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 F4 Ir P -","- C15 H24 F4 Ir P -","- C120 H192 F32 Ir8 P8 -","8","4","","Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold","A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium","Journal of the American Chemical Society","2005","127","","15020","15021","10.1021/ja055166k","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100570","31.5032","0.0005","30.1445","0.0005","61.3699","0.001","90","","94.982","0.001","90","","58059.6","1.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","COV-1CdS-TMDPy","","","- C242 H208 Cd32 N4 S50 -","- C236 Cd32 N4 S50 -","- C1888 Cd256 N32 S400 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100571","26.3539","0.0008","34.515","0.001","73.258","0.002","90","","90","","90","","66636","4","150","2","150","2","","","","","","","","6","I b c a","-I 2b 2c","73","COV-2CdS-TMDPy","","","- C289 H244 Cd32 N2 P2 S52 -","- C249 Cd32 N2 P2 S52 -","- C1992 Cd256 N16 P16 S416 -","8","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100572","30.075","0.0005","58.6144","0.001","31.8999","0.0005","90","","101.945","0.001","90","","55016.4","1.6","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","COV-3CdS-BPy","","","- C166 H138 Cd17 N2 S30 -","- C162 Cd17 N2 S30 -","- C1944 Cd204 N24 S360 -","12","1.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100573","23.4374","0.0004","18.9054","0.0003","24.3535","0.0004","90","","108.546","0.001","90","","10230.5","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","COV-4CdS-TMDPy","","","- C97 H84 Cd8 N2 S15 -","- C97 H84 Cd8 N2 S15 -","- C388 H336 Cd32 N8 S60 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100574","8.7703","0.0008","12.6055","0.0012","9.0914","0.0009","90","","118.124","0.002","90","","886.42","0.15","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 I N O3 -","- C16 H20 I N O3 -","- C32 H40 I2 N2 O6 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100575","11.5886","0.0008","18.9715","0.0013","7.2785","0.0005","90","","90","","90","","1600.2","0.19","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C64 H84 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100576","8.6587","0.0005","8.6285","0.0005","10.8061","0.0006","90","","108.403","0.001","90","","766.05","0.08","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O -","- C17 H16 Br N O -","- C34 H32 Br2 N2 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100577","7.0983","0.0007","11.0402","0.0012","8.6438","0.0009","90","","112.212","0.002","90","","627.12","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 I N O -","- C12 H14 I N O -","- C24 H28 I2 N2 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100578","9.166","0.002","10.794","0.003","17.987","0.004","90","","90","","90","","1779.6","0.7","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 I N O -","- C17 H22 I N O -","- C68 H88 I4 N4 O4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100579","4.688","0.006","13.37","0.02","14.57","0.02","99.62","0.06","97.97","0.05","94.74","0.06","886","7","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 F6 N2 S2 -","- C20 H10 F6 N2 S2 -","- C40 H20 F12 N4 S4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100580","18.58","0.02","6.736","0.005","7.38","0.007","90","","104.7","0.04","90","","893","5","453.2","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H10 F6 N2 S2 -","- C20 H10 F6 N2 S2 -","- C40 H20 F12 N4 S4 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100581","18.228","0.003","11.9701","0.0019","34.062","0.006","90","","122.355","0.002","90","","6278.2","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H38 In4 O32 -","- C56 H32 In4 O32 -","- C224 H128 In16 O128 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100582","12.3292","0.0017","12.7323","0.0018","13.4515","0.0019","79.955","0.002","63.53","0.002","89.547","0.002","1855.4","0.5","116","2","116","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.45 H33.75 F6 Mn N5 O11 S2 -","- C32.45 H33.75 F6 Mn N5 O11 S2 -","- C64.9 H67.5 F12 Mn2 N10 O22 S4 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja039283w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100583","12.2904","0.0017","12.4154","0.0018","13.574","0.002","68.808","0.002","71.611","0.002","85.975","0.002","1830.4","0.5","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Cl2 Mn N6 O14 -","- C31 H29 Cl2 Mn N6 O12 -","- C62 H58 Cl4 Mn2 N12 O24 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja039283w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100584","11.1722","0.0017","13.105","0.002","19.514","0.003","92.328","0.002","98.748","0.002","94.309","0.003","2812","0.7","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H63.5 Cl Mn N10.5 O3 V -","- C55 H63.75 Cl Mn N10.25 O3 V -","- C110 H127.5 Cl2 Mn2 N20.5 O6 V2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438112","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100585","13.959","0.003","42.297","0.015","18.391","0.005","90","","94.814","0.018","90","","10820","5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73.6 H73.6 Cu1.6 N8 O16 -","- C73.6 H73.6 Cu1.6 N8 O16 -","- C368 H368 Cu8 N40 O80 -","5","1.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438112","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100586","8.2324","0.0004","11.8173","0.0005","12.3121","0.0006","90","","102.505","0.001","90","","1169.36","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052098t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100587","12.6016","0.0005","10.6999","0.0005","12.1039","0.0006","90","","90","","90","","1632","0.1","296.2","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H14 Cl N O Se -","- C17 H14 Cl N O Se -","- C68 H56 Cl4 N4 O4 Se4 -","4","1","","Fujiwara, Shin-ichi","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052175k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100588","8.952","0.0004","10.9237","0.0005","13.4982","0.0005","90","","107.191","0.002","90","","1261.01","0.09","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H14 O Se -","- C13 H14 O Se -","- C52 H56 O4 Se4 -","4","1","","Fujiwara, Shin-ichi","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052175k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100589","4.8551","0.0002","13.333","0.0005","15.6798","0.0008","97.241","0.002","96.07","0.002","95.031","0.002","996","0.08","150","","","","","","","","","","","5","P 1","P 1","1","","","","- C23 H24 Br N O -","- C23 H24 Br N O -","- C46 H48 Br2 N2 O2 -","2","2","","","Crystal and molecular structure of ca030205","Journal of the American Chemical Society","2005","","","","","10.1021/ja052411r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100590","16.7411","0.0001","28.5619","0.0003","19.501","0.0002","90","","111.975","0.0005","90","","8647.12","0.14","150","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C207 H200 N12 O8 P4 -","- C207 H157 N12 O8 P4 -","- C414 H314 N24 O16 P8 -","2","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja052411r","","","","","","","","","","","","","","","","","","","","","has coordinates","201210","2020-10-21","18:00:00",""
"4100591","13.0823","0.0004","23.5818","0.0009","21.4652","0.0008","90","","101.852","0.001","90","","6480.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H82 B Fe N3 O Si -","- C65 H82 B Fe N3 O Si -","- C260 H328 B4 Fe4 N12 O4 Si4 -","4","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja0524447","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100592","12.963","0.0006","22.7555","0.001","22.4921","0.0011","90","","99.957","0.001","90","","6534.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H92 B Fe N3 O2 Si -","- C69 H92 B Fe N3 O2 Si -","- C276 H368 B4 Fe4 N12 O8 Si4 -","4","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja0524447","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100593","15.1477","0.0013","18.5854","0.0013","22.0858","0.0018","90","","96.923","0.002","90","","6172.4","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H65 B F15 Fe N3 Si2 -","- C59 H65 B F15 Fe N3 Si2 -","- C236 H260 B4 F60 Fe4 N12 Si8 -","4","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja0524447","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100594","20.5977","0.0019","13.7738","0.0013","15.3609","0.0014","90","","90","","90","","4358","0.7","90","","90","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41 H1.5 Cl La0.5 S2 -","- C41 H1.5 Cl La0.5 S2 -","- C328 H12 Cl8 La4 S16 -","8","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja0524806","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100595","18.922","0.004","10.186","0.002","20.927","0.004","90","","106.838","0.003","90","","3860.5","1.4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1-(dimesitylfluoroborato)-8-(pentafluorophenylmercury) naphthalenediyl-tris(dimethylamino)sulfonium","","","- C40 H46 B F6 Hg N3 S -","- C40 H46 B F6 Hg N3 S -","- C160 H184 B4 F24 Hg4 N12 S4 -","4","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja053058s","","","","","","","","","","","","","","","","","","","","","has coordinates","120677","2020-10-21","18:00:00",""
"4100596","8.4154","0.0016","9.9386","0.0019","17.397","0.003","80.908","0.003","89.072","0.003","77.901","0.003","1404.7","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","1-(dimesitylboron)-8-(pentafluorophenylmercury)naphthalenediyl","","","- C34 H28 B F5 Hg -","- C34 H28 B F5 Hg -","- C68 H56 B2 F10 Hg2 -","2","1","","","Crystal and molecular structure of ca170105","Journal of the American Chemical Society","2005","","","","","10.1021/ja053058s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100597","9.4932","0.0018","17.566","0.003","27.28","0.005","90","","96.382","0.003","90","","4521","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 F12 N5 O2 P2 -","- C16 H19 F12 N5 O2 P2 -","- C128 H152 F96 N40 O16 P16 -","8","2","","Abdulkareem Melaiye; Zhaohui Sun; Khadijah Hindi; Amy Milsted; Daniel Ely; Darrell H. Reneker; Tessier A. Claire; Wiley J. Youngs","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100598","19.292","0.006","10.259","0.003","20.859","0.006","90","","93.522","0.005","90","","4120","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 Ag2 N10 O7 -","- C33 H34 Ag2 N10 O7 -","- C132 H136 Ag8 N40 O28 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100599","9.793","0.0001","14.426","0.0002","29.275","0.0005","90","","90","","90","","4135.79","0.1","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H31 N O -","- C24 H31 N O -","- C192 H248 N8 O8 -","8","1","","","Efficient Synthesis of Optically Active Atropisomeric Anilides through Catalytic Asymmetric N-Arylation Reaction","Journal of the American Chemical Society","2005","","","","","10.1021/ja042216x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100600","9.93","0.0003","7.879","0.0001","25.78","0.0007","90","","90","","90","","2016.99","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042216x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100601","14.9159","0.0007","14.9159","0.0007","14.9159","0.0007","90","","90","","90","","3318.6","0.3","123","2","123","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C6 H12 Cu N3 O -","- C6 H12 Cu N3 O1.01 -","- C72 H144 Cu12 N36 O12.12 -","12","0.25","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100602","43.733","0.005","26.579","0.003","39.339","0.004","90","","90","","90","","45726","8","123","2","123","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C41 H72 Cu5 N13 -","- C41 H72 Cu5 N13 -","- C1312 H2304 Cu160 N416 -","32","2","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100603","15.7158","0.0006","21.862","0.0008","23.7775","0.0009","90","","108.778","0.008","90","","7734.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H60 Cu6 N18 -","- C84 H60 Cu6 N18 -","- C336 H240 Cu24 N72 -","4","1","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100604","10.4237","0.0009","12.6458","0.001","13.6176","0.0011","67.539","0.001","71.225","0.001","67","0.001","1495.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 Cu4 N22 O6 -","- C60 H44 Cu4 N22 O6 -","- C60 H44 Cu4 N22 O6 -","1","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100605","17.4879","0.0011","12.5107","0.0008","21.5927","0.0013","90","","93.604","0.001","90","","4714.8","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H36 Cu5 N21 O5 -","- C48 H36 Cu5 N21 O5 -","- C192 H144 Cu20 N84 O20 -","4","1","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100606","17.4349","0.0009","7.1639","0.0004","18.6729","0.001","90","","110.843","0.001","90","","2179.7","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cu N10 -","- C24 H20 Cu N10 -","- C96 H80 Cu4 N40 -","4","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100607","17.4679","0.0008","6.9798","0.0003","19.2699","0.0009","90","","112.332","0.001","90","","2173.22","0.17","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N10 Ni -","- C24 H20 N10 Ni -","- C96 H80 N40 Ni4 -","4","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100608","6.9193","0.001","9.4382","0.0013","9.7675","0.0014","81.852","0.003","73.411","0.003","82.154","0.003","602.04","0.15","423","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N10 Ni O2 -","- C24 H24 N10 Ni O2 -","- C24 H24 N10 Ni O2 -","1","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100609","20.4436","0.0013","16.9489","0.0011","23.1265","0.0015","90","","112.007","0.001","90","","7429.4","0.8","220","2","220","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H93 B4 Cu9 F16 N40 O8 -","- C96 H93.04 B4 Cu9 F16 N40 O8.02 -","- C192 H186.08 B8 Cu18 F32 N80 O16.04 -","2","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100610","31.667","0.002","10.4902","0.0007","21.2886","0.0015","90","","90","","90","","7071.8","0.8","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H24 Cl3 Cu6 N15 -","- C36 H24 Cl3 Cu6 N15 -","- C288 H192 Cl24 Cu48 N120 -","8","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100611","10.4549","0.0008","13.4937","0.001","8.6815","0.0007","90","","100.579","0.002","90","","1203.93","0.16","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cu2 N4 O10 -","- C20 H24 Cu2 N4 O10 -","- C40 H48 Cu4 N8 O20 -","2","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100612","8.0017","0.0007","8.5956","0.0007","10.5915","0.0009","79.648","0.004","79.043","0.003","78.855","0.004","693.94","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H2 Cu N3 -","- C2 H2 Cu N3 -","- C16 H16 Cu8 N24 -","8","4","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100613","8.127","0.0006","8.7159","0.0007","11.4385","0.0009","80.177","0.004","79.31","0.006","84.147","0.006","782.43","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H2 Ag N3 -","- C2 H2 Ag N3 -","- C16 H16 Ag8 N24 -","8","4","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100614","6.314","0.003","7.148","0.003","16.263","0.006","90","","90","","90","","734","0.5","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 N3 O2 -","- C5 H11 N3 O2 -","- C20 H44 N12 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042258l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100615","28.764","0.009","19.258","0.006","32.519","0.01","90","","114.012","0.005","90","","16455","9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C144 H268 Co18 N96 O86 W12 -","- C144 H268 Co18 N96 O86 W12 -","- C288 H536 Co36 N192 O172 W24 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042334k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100616","28.72","0.02","19.276","0.013","32.49","0.02","90","","114.241","0.012","90","","16403","20","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C152 H288 Co18 Mo12 N96 O88 -","- C152 H288 Co18 Mo12 N96 O88 -","- C304 H576 Co36 Mo24 N192 O176 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042334k","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100617","9.3834","0.0006","24.0014","0.0016","14.5305","0.0009","90","","93.104","0.001","90","","3267.7","0.4","243","2","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 N O9 P Ru3 -","- C32 H20 N O9 P Ru3 -","- C128 H80 N4 O36 P4 Ru12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042510p","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100618","10.4744","0.0006","23.1133","0.0011","30.5198","0.0017","90","","90","","90","","7388.8","0.7","243","2","243","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H29 N O5 P2 Ru2 -","- C40 H29 N O5 P2 Ru2 -","- C320 H232 N8 O40 P16 Ru16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042510p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100619","34.013","0.002","8.9515","0.0005","18.0183","0.0011","90","","121.221","0.001","90","","4691.4","0.5","243","2","243","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 N2 O6 P2 Ru3 -","- C52 H40 N2 O6 P2 Ru3 -","- C208 H160 N8 O24 P8 Ru12 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042510p","","","","","","","","","","","","","","","","","","","","","has coordinates","201214","2020-10-21","18:00:00",""
"4100620","11.64","0.003","6.8189","0.0019","15.419","0.004","90","","107.106","0.005","90","","1169.7","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfamethoxazole","","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C40 H44 N12 O12 S4 -","4","1","","Price, C.P.; Grzesiak, A.L.; Matzger, A.J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042561m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100621","5.4895","0.0009","16.761","0.003","12.422","0.002","90","","97.08","0.002","90","","1134.2","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C40 H44 N12 O12 S4 -","4","1","","Price, C.P.; Grzesiak, A.L.; Matzger, A.J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042561m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100622","17.543","0.003","6.1234","0.001","12.0521","0.0019","90","","105.708","0.004","90","","1246.3","0.3","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Price, C.P.; Grzesiak, A.L.; Matzger, A.J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042595u","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100623","20.881","0.01","8.843","0.004","10.102","0.005","90","","92.772","0.01","90","","1863.1","1.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","Price, C.P.; Grzesiak, A.L.; Matzger, A.J.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042595u","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100624","5.2632","0.0002","12.3766","0.0005","13.1225","0.0006","90","","90","","90","","854.81","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 H7 N9 O4 -","- C8 H28 N36 O16 -","- C8 H28 N36 O16 -","","","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja042596m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100625","8.536","0.004","19.159","0.008","11.715","0.005","90","","91.962","0.009","90","","1914.8","1.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja042636m","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100626","13.9427","0.0014","15.7739","0.0016","12.9419","0.0014","90","","91.362","0.002","90","","2845.5","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H34 I2 N2 Si2 -","- C22 H34 I2 N2 Si2 -","- C88 H136 I8 N8 Si8 -","4","1","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja042636m","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100627","5.7943","0.0006","10.6358","0.0011","15.5975","0.0016","90","","90.385","0.002","90","","961.21","0.17","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C52 H40 N4 -","2","0.5","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja042636m","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100628","9.2317","0.0001","11.5165","0.0002","17.5796","0.0003","85.575","0.001","89.308","0.001","89.733","0.001","1863.29","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H64 N2 O3 W2 -","- C35 H64 N2 O3 W2 -","- C70 H128 N4 O6 W4 -","2","1","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja0426692","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100629","22.1618","0.0003","13.0316","0.0002","17.9373","0.0003","90","","131.682","0.002","90","","3868.93","0.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Complex 3","","","- C22 H33 N O W -","- C22 H33 N O W -","- C176 H264 N8 O8 W8 -","8","1","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja0426692","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100630","32.6504","0.0013","32.6504","0.0013","32.6504","0.0013","90","","90","","90","","34807","2","258","2","258","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","IRMOP-50","","","- C108 H84 Fe12 N12 O84 S12 -","- C108 H84 Fe12 N12 O88 S12 -","- C432 H336 Fe48 N48 O352 S48 -","4","0.0416667","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100631","32.6504","0.0013","32.6504","0.0013","32.6504","0.0013","90","","90","","90","","34807","2","258","2","258","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","IRMOP-50","","","- C108 H84 Fe12 N12 O76 S12 -","- C108 H84 Fe12 N12 O76 S12 -","- C432 H336 Fe48 N48 O304 S48 -","4","0.0416667","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100632","25.8626","0.0009","26.8359","0.0009","28.1926","0.001","75.138","0.001","88.568","0.001","63.783","0.001","16878.6","1","258","2","258","2","","","","","","","","6","P -1","-P 1","2","IRMOP-51t","","","- C212.5 H100 Fe12 N36.5 O90 S12 -","- C212.5 H100 Fe12 N36.5 O90 S12 -","- C425 H200 Fe24 N73 O180 S24 -","2","1","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4100633","25.8626","0.0009","26.8359","0.0009","28.1926","0.001","75.138","0.001","88.568","0.001","63.783","0.001","16878.6","1","258","2","258","2","","","","","","","","6","P -1","-P 1","2","IRMOP-51t","","","- C144 H100 Fe12 N12 O76 S12 -","- C144 H100 Fe12 N12 O76 S12 -","- C288 H200 Fe24 N24 O152 S24 -","2","1","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4100634","38.508","0.009","38.508","0.009","38.508","0.009","90","","90","","90","","57102","24","153","2","153","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","IRMOF-51c","","","- C150 H108 Fe12 N18 O76 S12 -","- C150 H108 Fe12 N18 O76 S12 -","- C600 H432 Fe48 N72 O304 S48 -","4","0.0416667","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100635","38.508","0.009","38.508","0.009","38.508","0.009","90","","90","","90","","57101.8","23.1","153","2","153","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","IRMOF-51c","","","- C144 H108 Fe12 N12 O76 S12 -","- C144 H108 Fe12 N12 O76 S12 -","- C576 H432 Fe48 N48 O304 S48 -","4","0.0416667","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100636","43.73","0.004","22.671","0.002","41.328","0.004","90","","120.182","0.002","90","","35418","6","258","2","258","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","IRMOP-52","","","- C226 H132 Fe12 N26 O94 S12 -","- C226 H132 Fe12 N26 O94 S12 -","- C904 H528 Fe48 N104 O376 S48 -","4","0.5","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100637","43.73","0.004","22.671","0.002","41.328","0.004","90","","120.182","0.002","90","","35418","6","258","2","258","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","IRMOP-52","","","- C168 H132 Fe12 N12 O76 S12 -","- C168 H132 Fe12 N12 O76 S12 -","- C672 H528 Fe48 N48 O304 S48 -","4","0.5","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100638","31.642","0.003","31.762","0.003","31.83","0.003","75.847","0.002","75.264","0.002","60.155","0.002","26568","4","293","2","258","2","","","","","","","","6","P -1","-P 1","2","IRMOF-53","","","- C188.5 H132 Fe12 N13.5 O104.5 S12 -","- C188.5 H132 Fe12 N13.5 O104.5 S12 -","- C377 H264 Fe24 N27 O209 S24 -","2","1","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100639","31.642","0.003","31.762","0.003","31.83","0.003","75.847","0.002","75.264","0.002","60.155","0.002","26568","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","IRMOF53","","","- C180 H132 Fe12 N12 O76 S12 -","- C180 H132 Fe12 N12 O76 S12 -","- C360 H264 Fe24 N24 O152 S24 -","2","1","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100640","26.8549","0.0013","26.8549","0.0013","40.9221","0.0019","90","","90","","90","","29512","2","258","2","258","2","","","","","","","","6","I 41/a :2","-I 4ad","88","IRMOP-54","","","- C180 H120 Fe12 N16 O115 S12 -","- C180 H120 Fe12 N16 O115 S12 -","- C720 H480 Fe48 N64 O460 S48 -","4","0.25","","Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi","Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra","Journal of the American Chemical Society","2005","","","","","10.1021/ja042802q","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100641","9.5634","0.0002","13.7333","0.0004","22.4731","0.0007","90","","90","","90","","2951.55","0.14","173","2","173","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C35 H30 N2 O7 U -","- C35 H30 N2 O7 U -","- C140 H120 N8 O28 U4 -","4","0.5","","Nissinen Maija; Cametti Massimo; Dalla Cort Antonella; Rissanen Kari; Mandolini Luigi","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100642","9.6034","0.0001","13.323","0.0002","23.3439","0.0003","90","","90","","90","","2986.76","0.07","173","2","173","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C36 H29 N3 O6 U -","- C36 H29 N3 O6 U -","- C144 H116 N12 O24 U4 -","4","0.5","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100643","32.4597","0.0007","15.9145","0.0004","26.1849","0.0004","90","","120.983","0.001","90","","11596.6","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H52 Cl Cs N6 O12 U2 -","- C59 H50 Cl Cs N6 O12 U2 -","- C472 H400 Cl8 Cs8 N48 O96 U16 -","8","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","214503","2020-10-21","18:00:00",""
"4100644","16.3779","0.0007","13.9653","0.0006","16.6928","0.0005","90","","107.568","0.002","90","","3639.9","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cs F N4 O6 U -","- C38 H32 Cs F N4 O6 U -","- C152 H128 Cs4 F4 N16 O24 U4 -","4","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100645","12.0338","0.0003","12.362","0.0003","14.5835","0.0005","108.135","0.002","97.069","0.001","108.179","0.002","1899.66","0.09","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 Cl Cs N4 O6 U -","- C38 H32 Cl Cs N4 O6 U -","- C76 H64 Cl2 Cs2 N8 O12 U2 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100646","14.3905","0.0002","15.2086","0.0003","15.5041","0.0003","93.2582","0.0007","107.142","0.0007","100.843","0.001","3161.7","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H60 Cl K N4 O14 U2 -","- C70 H60 Cl K N4 O14 U2 -","- C140 H120 Cl2 K2 N8 O28 U4 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100647","11.8754","0.0004","12.2205","0.0005","14.6154","0.0007","107.79","0.002","96.735","0.002","108.296","0.002","1863.44","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32.5 Cl N4 O6.25 Rb U -","- C38 H32 Cl N4 O6.25 Rb U -","- C76 H64 Cl2 N8 O12.5 Rb2 U2 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100648","12.5316","0.0005","13.5637","0.0004","13.9037","0.0005","99.611","0.002","101.62","0.002","91.385","0.002","2278.26","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H37 Cl3 N4 O11 U2 -","- C43 H37 Cl3 N4 O11 U2 -","- C86 H74 Cl6 N8 O22 U4 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","214503","2020-10-21","18:00:00",""
"4100649","12.5727","0.0005","16.8834","0.0008","9.4789","0.0003","90","","90","","90","","2012.09","0.14","173","2","173","2","","","","","","","","5","C c m 21","C 2c -2c","36","","","","- C22 H17 N3 O4 U -","- C22 H17 N3 O4 U -","- C88 H68 N12 O16 U4 -","4","0.5","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100650","18.859","0.016","24.37","0.02","15.585","0.014","90","","111.17","0.08","90","","6680","10","293","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","6-AmCio-b-CD","","","- C51 H57 N O43 -","- C51 H57 N O43 -","- C204 H228 N4 O172 -","4","1","","Nissinen, Maija; Cametti, Massimo; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042840+","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100651","20.11","0.02","21.94","0.02","16.054","0.017","90","","114.11","0.04","90","","6466","12","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","calix[4]arene-diester-diazide","","","- C62 H86 N6 O12 -","- C62 H86 N6 O12 -","- C248 H344 N24 O48 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042882y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100652","10.6806","0.0013","13.271","0.0016","14.7945","0.0018","90","","90.257","0.002","90","","2097","0.4","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 O2 Si -","- C22 H34 O2 Si -","- C88 H136 O8 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042893r","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100653","6.3526","0.0008","19.973","0.003","14.0526","0.0017","90","","93.574","0.002","90","","1779.6","0.4","158","2","158","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 O2 Si -","- C17 H32 O2 Si -","- C68 H128 O8 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042893r","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100654","12.42","0.003","12.547","0.003","12.71","0.003","94.592","0.004","117.208","0.004","115.894","0.004","1484.6","0.6","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H82 Cl6 Fe6 N2 Ni2 P2 S6 -","- C34 H82 Cl6 Fe6 N2 Ni2 P2 S6 -","- C34 H82 Cl6 Fe6 N2 Ni2 P2 S6 -","1","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042938o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100655","16.947","0.002","16.975","0.002","20.846","0.003","90","","90","","90","","5996.7","1.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H70 Cl4 Cu4 Fe4 P4 S6 -","- C36.94 H70 Cl4 Cu4 Fe4 P4 S6 -","- C147.76 H280 Cl16 Cu16 Fe16 P16 S24 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042938o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100656","13.9364","0.0018","15.934","0.002","15.719","0.002","90","","96.004","0.002","90","","3471.6","0.8","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H51 Cl3 Cu Fe3 N P S3 -","- C44 H102 Cl6 Cu2 Fe6 N2 P2 S6 -","- C88 H204 Cl12 Cu4 Fe12 N4 P4 S12 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042938o","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100657","19.9487","0.0016","19.9487","0.0016","26.536","0.005","90","","90","","120","","9145.2","1.9","123","2","123","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C36 H84 Cl4 Fe4 Ni4 P4 S6 -","- C36 H84 Cl4 Fe4 Ni4 P4 S6 -","- C216 H504 Cl24 Fe24 Ni24 P24 S36 -","6","0.333333","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042938o","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100658","21.5707","0.0015","21.4607","0.0015","23.8297","0.0017","90","","90","","90","","11031.3","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","{(PNP)cu}2","","","- C56 H88 Cu2 N2 P4 -","- C56 H88 Cu2 N2 P4 -","- C448 H704 Cu16 N16 P32 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043092r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100659","21.143","0.003","12.572","0.002","23.8","0.003","90","","108.62","0.05","90","","5995.1","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C126 H146 N9 O14.5 -","- C126 H146 N9 O14.5 -","- C252 H292 N18 O29 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043116u","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100660","14.971","0.005","8.349","0.003","21.008","0.007","90","","98.835","0.007","90","","2594.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C27 H32 N2 O3 S -","- C27 H32 N2 O3 S -","- C108 H128 N8 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0432968","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100661","12.0567","0.0007","21.0432","0.0012","16.1596","0.0009","90","","101.502","0.001","90","","4017.5","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 Au2 Cl3 P2 -","- C45 H39 Au2 Cl3 P2 -","- C180 H156 Au8 Cl12 P8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043401d","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100662","12.061","0.005","9.564","0.004","8.887","0.004","90","","110.683","0.007","90","","959.1","0.7","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H14 Cu N2 O5 -","- C6 H14 Cu N2 O5 -","- C24 H56 Cu4 N8 O20 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043461j","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100663","9.6257","0.0008","19.4236","0.0014","11.1331","0.0008","90","","94.26","0.003","90","","2075.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H36 N2 O3 -","- C18 H35 N2 O3 -","- C72 H140 N8 O12 -","4","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043470s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100664","12.7464","0.0002","15.0932","0.0002","18.6957","0.0003","95.3241","0.0007","95.2033","0.0007","108.001","0.0007","3378.78","0.09","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C158 H134 Cl6 N6 O18 -","- C158 H134 Cl6 N6 O18 -","- C158 H134 Cl6 N6 O18 -","1","0.5","","Scherer, Lukas J.; Merz, Leo; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Hermann, B. A.","Conformational Analysis of Self-Organized Monolayers with Scanning Tunneling Microscopy at Near-Atomic Resolution","Journal of the American Chemical Society","2005","127","11","4033","4041","10.1021/ja043638+","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4100665","6.413","0.01","7.285","0.012","14.211","0.016","81.839","0.01","80.624","0.01","79.736","0.007","640.2","1.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O -","- C13 H22 O -","- C26 H44 O2 -","2","1","","Bhargava, Surbhi; Hou, Jianjun; Parvez, Masood; Sorensen, Ted S.","Preparation and Crystal Structure of Two Bicyclo[1.1.0]butan-2-ones. A Hybrid Oxyallyl-Cyclopropanone Motif","Journal of the American Chemical Society","2005","","","","","10.1021/ja043646q","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100666","6.659","0.004","10.52","0.005","10.674","0.005","96.64","0.03","95.54","0.03","107.96","0.03","699.6","0.6","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H26 O -","- C15 H26 O -","- C30 H52 O2 -","2","1","","Bhargava, Surbhi; Hou, Jianjun; Parvez, Masood; Sorensen, Ted S.","Preparation and Crystal Structure of Two Bicyclo[1.1.0]butan-2-ones. A Hybrid Oxyallyl-Cyclopropanone Motif","Journal of the American Chemical Society","2005","","","","","10.1021/ja043646q","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100667","19.2943","0.0016","10.5163","0.0009","15.1501","0.0013","90","","104.137","0.0016","90","","2980.9","0.4","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Mes*NP-TMEDA]OTf","","","- C25 H45 F3 N3 O3 P S -","- C25 H45 F3 N3 O3 P S -","- C100 H180 F12 N12 O12 P4 S4 -","4","1","","Neil Burford; Andrew D. Phillips; Heather A. Spinney; Michael Lumsden; Ulrike Werner-Zwanziger; Michael J. Ferguson; Robert McDonald","Hypervalent, low coordinate phosphorus(III) centers in complexes of the phosphadiazonium cation with chelating ligands","Journal of the American Chemical Society","2005","","","","","10.1021/ja043691y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100668","17.492","0.0008","14.717","0.0007","19.1407","0.0009","90","","101.393","0.001","90","","4830.3","0.4","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Mes*NP-DIPHOS]OTf","","","- C51 H59 F3 N O3 P3 S -","- C51 H59 F3 N O3 P3 S -","- C204 H236 F12 N4 O12 P12 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043691y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100669","10.033","0.0005","12.5898","0.0006","18.1171","0.0009","106.487","0.0008","100.808","0.0008","98.1714","0.0008","2108.54","0.18","193","2","193","2","","","","","","","","7","P -1","-P 1","2","[Mes*NP-PMDETA]OTf","","","- C37 H65 F3 N4 O3.5 P S -","- C35 H60 F3 N4 O3 P S -","- C70 H120 F6 N8 O6 P2 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043691y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100670","16.2258","0.0006","17.1365","0.0007","20.7837","0.0008","90","","104.053","0.001","90","","5606","0.4","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fe(Tp-OCH3PP)(2-MeHIm)]","","","- C66.6 H54.7 Cl2.3 Fe N6.4 O4 -","- C66.79 H54.1 Cl2.3 Fe N6.39 O4 -","- C267.16 H216.4 Cl9.2 Fe4 N25.56 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044077p","","","","","","","0.0496","","","0.1258","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100671","9.7135","0.0011","10.7474","0.0013","25.525","0.003","85.98","0.002","87.73","0.002","74.323","0.003","2558.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Fe(Tp-OCH3PP)(1,2-Me2Im)]","","","- C62 H56 Cl Fe N6 O4 -","- C62 H56 Cl Fe N6 O4 -","- C124 H112 Cl2 Fe2 N12 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044077p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100672","13.0504","0.0008","9.4303","0.0006","35.931","0.002","90","","98.468","0.001","90","","4373.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Fe(TPP)(1,2-DiMeHIm)]","","","- C56 H44 Fe N6 -","- C56 H44 Fe N6 -","- C224 H176 Fe4 N24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044077p","","","","","","","0.0396","","","0.1077","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100673","13.9178","0.0003","22.8372","0.0004","15.4107","0.0003","90","","96.999","0.001","90","","4861.69","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe(TTP)(2-MeHIM)","","","- C61 H54 Cl Fe N6 -","- C61 H54 Cl Fe N6 -","- C244 H216 Cl4 Fe4 N24 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044077p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100674","7.2444","0.0009","7.2444","0.0009","28.417","0.005","90","","90","","90","","1491.4","0.4","123.2","","","","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C32 H12 Cs2 Cu7 Mo4 N32 O6 -","- C32 Cs2 Cu7 Mo4 N32 O6 -","- C32 Cs2 Cu7 Mo4 N32 O6 -","1","0.03125","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja044107o","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100675","10.5722","0.0004","10.5722","0.0004","10.5722","0.0004","90","","90","","90","","1181.67","0.08","293","2","293","2","","","","","","","","7","P -4 3 m","P -4 2 3","215","Guanidinium tetramethoxyborate hexafluorophosphate solvate","","","- C18 H68 B3 F6 N12 O14 P -","- C16 H60 B3 N12 O12 -","- C16 H60 B3 N12 O12 -","1","0.0416667","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja044200c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100676","10.6139","0.0004","10.6139","0.0004","10.6139","0.0004","90","","90","","90","","1195.71","0.08","293","2","293","2","","","","","","","","6","P -4 3 m","P -4 2 3","215","Guanidinium tetramethoxyborate chloride solvate","","","- C20 H76 B3 Cl N12 O16 -","- C16 H60 B3 N12 O12 -","- C16 H60 B3 N12 O12 -","1","0.0416667","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja044200c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100677","8.6678","0.0011","14.629","0.0018","22.004","0.003","101.23","0.002","94.949","0.002","91.42","0.002","2724.1","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H64 Ir4 O12 P2 Pt2 -","- C44 H64 Ir4 O12 P2 Pt2 -","- C88 H128 Ir8 O24 P4 Pt4 -","2","1","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja0443777","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100678","41.4988","0.0013","27.064","0.0009","25.7975","0.0008","90","","90","","90","","28973.8","1.6","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H108 Ir8 O12 P4 Pt4 -","- C60 H108 Ir8 O12 P4 Pt4 -","- C720 H1296 Ir96 O144 P48 Pt48 -","12","1.5","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja0443777","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100679","19.6831","0.0006","15.6634","0.0004","25.1088","0.0007","90","","91.732","0.001","90","","7737.6","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H111 Ir6 N O10 P4 Pt4 -","- C60 H111 Ir6 N O10 P4 Pt4 -","- C240 H444 Ir24 N4 O40 P16 Pt16 -","4","1","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja0443777","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100680","12.508","0.0007","14.9767","0.0009","23.6748","0.0014","105.119","0.001","99.902","0.001","104.222","0.001","4016","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H132 Ir6 O10 P4 Pt4 -","- C64 H132 Ir6 O10 P4 Pt4 -","- C128 H264 Ir12 O20 P8 Pt8 -","2","1","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja0443777","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100681","7.09","0.001","7.09","0.001","45.566","0.009","90","","90","","120","","1983.6","0.6","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","Platinindiumfluorogallateoxogallate","","","- F15 Ga3 In14 O8 Pt2 -","- F45 Ga9 In42 O24 Pt6 -","- F45 Ga9 In42 O24 Pt6 -","1","0.0277778","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja044389s","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100682","14.402","0.002","9.5935","0.0017","15.103","0.003","90","","107.905","0.003","90","","1985.6","0.6","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cl N O2 Ti -","- C20 H30 Cl N O2 Ti -","- C80 H120 Cl4 N4 O8 Ti4 -","4","1","","Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi","Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex","Journal of the American Chemical Society","2005","","","","","10.1021/ja044512f","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100683","10.3411","0.0007","12.6338","0.0008","17.9017","0.001","105.505","0.007","92.569","0.007","90.395","0.008","2251","0.3","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H38 Eu N11 O13 -","- C43 H38 Eu N11 O13 -","- C86 H76 Eu2 N22 O26 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100684","10.9828","0.0009","12.6817","0.0012","15.6892","0.0014","94.346","0.011","105.641","0.01","98.462","0.011","2066","0.4","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H32 N9 O13 Yb -","- C39 H29 N9 O13 Yb -","- C78 H58 N18 O26 Yb2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100685","11.4075","0.0009","15.8957","0.0012","17.4287","0.0012","76.098","0.008","76.094","0.009","71.858","0.009","2868","0.5","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 N10 O19 Zn -","- C52 H62 N10 O19 Zn -","- C104 H124 N20 O38 Zn2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100686","10.1303","0.0007","11.052","0.0009","18.7876","0.0016","96.292","0.01","93.702","0.009","101.232","0.009","2042.8","0.3","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H35 La N8 O14 -","- C40 H35 La N8 O14 -","- C80 H70 La2 N16 O28 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100687","8.9867","0.0003","14.0148","0.0006","30.7044","0.0011","90","","92.808","0.004","90","","3862.5","0.3","200","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H41 N5 O10 -","- C43 H41 N5 O10 -","- C172 H164 N20 O40 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100688","14.8858","0.0008","15.1794","0.0009","23.6556","0.0013","93.033","0.007","106.13","0.006","118.204","0.006","4416.7","0.6","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C83 H76 Lu2 N16 O29 -","- C83 H76 Lu2 N16 O29 -","- C166 H152 Lu4 N32 O58 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100689","19.2252","0.0008","13.829","0.0004","33.1357","0.0015","90","","90","","90","","8809.6","0.6","200","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C80 H68 Eu2 N19 O26.5 -","- C80 H67 Eu2 N19 O26.5 -","- C320 H268 Eu8 N76 O106 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100690","13.2588","0.0008","10.3996","0.0006","17.3331","0.001","90","","108.54","0.001","90","","2266","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C64 H72 F48 N8 O16 Zn4 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100691","18.216","0.006","10.448","0.002","13.242","0.004","90","","105.617","0.015","90","","2427.2","1.1","280","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C64 H72 F48 N8 O16 Zn4 -","4","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100692","10.7229","0.0011","17.7077","0.0019","24.76","0.003","90","","90.914","0.002","90","","4700.8","0.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C128 H144 F96 N16 O32 Zn8 -","8","2","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100693","18.284","0.014","12.623","0.01","20.466","0.016","90","","90","","90","","4723","6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H8 Al F15 O2 -","- C23 H8 Al F15 O2 -","- C184 H64 Al8 F120 O16 -","8","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100694","11.939","0.003","12.033","0.003","12.538","0.003","72.016","0.004","61.72","0.004","67.79","0.004","1449.9","0.6","169","2","169","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H46 Li3 O6 -","- C24 H46 Li3 O6 -","- C48 H92 Li6 O12 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100695","9.119","0.007","24.277","0.017","17.121","0.012","90","","93.528","0.016","90","","3783","5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 Al Li O4 -","- C38 H62 Al Li O4 -","- C152 H248 Al4 Li4 O16 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100696","25.957","0.0012","10.0679","0.0005","21.0622","0.001","90","","120.673","0.001","90","","4734.2","0.4","294","1","294","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H48 B2 Fe N12 -","- C52 H48 B2 Fe N12 -","- C208 H192 B8 Fe4 N48 -","4","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100697","15.297","0.0009","11.9528","0.0007","14.1961","0.0008","90","","97.659","0.001","90","","2572.5","0.3","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 B2 Fe N12 Si2 -","- C46 H56 B2 Fe N12 Si2 -","- C92 H112 B4 Fe2 N24 Si4 -","2","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178752","2020-10-21","18:00:00",""
"4100698","19.2722","0.001","10.1801","0.0005","20.1124","0.001","90","","92.995","0.001","90","","3940.5","0.3","294","1","294","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100699","19.1932","0.001","10.1436","0.0005","19.6711","0.001","90","","93.812","0.001","90","","3821.3","0.3","150","1","150","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100700","18.7923","0.001","10.1073","0.0005","19.8578","0.001","90","","94.987","0.001","90","","3757.5","0.3","90","1","90","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100701","18.0097","0.0009","16.9596","0.0008","23.1091","0.0011","90","","93.64","0.001","90","","7044.1","0.6","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C73.5 H120 Sm3 -","- C73.5 H99 Sm3 -","- C294 H396 Sm12 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100702","10.7702","0.0005","27.0242","0.0012","14.1407","0.0006","90","","108.459","0.001","90","","3904","0.3","163","2","163","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H66 Lu2 -","- C42 H66 Lu2 -","- C168 H264 Lu8 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100703","15.9095","0.0015","9.9404","0.0009","15.1263","0.0014","90","","90","","90","","2392.2","0.4","163","2","163","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H37 Sm -","- C27 H37 Sm -","- C108 H148 Sm4 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100704","10.2195","0.0005","11.0809","0.0006","13.9199","0.0007","104.571","0.001","99.493","0.001","108.219","0.001","1397.33","0.12","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H88 O4 Sm2 -","- C62 H88 O4 Sm2 -","- C62 H88 O4 Sm2 -","1","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100705","10.2254","0.0009","10.5715","0.001","12.7887","0.0012","87.415","0.002","75.338","0.001","68.223","0.001","1240.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H74 O4 Sm2 -","- C56 H74 O4 Sm2 -","- C56 H74 O4 Sm2 -","1","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176914","2020-10-21","18:00:00",""
"4100707","11.2987","0.0004","14.7901","0.0005","15.8237","0.0006","108.725","0.002","104.597","0.002","105.35","0.002","2244.56","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H68 B2 Cu2 F40 N10 O3 -","- C89 H60 B2 Cu2 F40 N10 O3 -","- C89 H60 B2 Cu2 F40 N10 O3 -","1","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100708","11.0861","0.0005","12.1285","0.0005","16.1999","0.0007","68.696","0.001","81.587","0.001","88.82","0.001","2006.27","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H48 B2 Cu2 F40 N6 O6 -","- C82 H48 B2 Cu2 F40 N6 O6 -","- C82 H48 B2 Cu2 F40 N6 O6 -","1","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100709","13.1013","0.0014","14.4428","0.0016","16.9894","0.0019","77.984","0.002","67.962","0.001","89.536","0.002","2905.8","0.6","98","2","98","2","","","","","","","","7","P -1","-P 1","2","[PhBP3]CoOSiPh3","","","- C72 H65 B Co O P3 Si -","- C72 H65 B Co O P3 Si -","- C144 H130 B2 Co2 O2 P6 Si2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100710","38.2238","0.0008","38.2238","0.0008","12.4091","0.0005","90","","90","","90","","18130.4","0.9","98","2","98","2","","","","","","","","6","I 41/a :2","-I 4ad","88","[PhBP3]CoO(4-tBu-Ph)","","","- C55 H54 B Co O P3 -","- C55 H54 B Co O P3 -","- C880 H864 B16 Co16 O16 P48 -","16","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100711","16.8066","0.0016","14.0767","0.0013","19.2736","0.0018","90","","113.801","0.002","90","","4172","0.7","96","","96","2","","","","","","","","6","P 1 21 1","P 2yb","4","[PhBP3]CoSPh","","","- C102 H92 B2 Co2 P6 S2 -","- C51 H46 B Co P3 S -","- C204 H184 B4 Co4 P12 S4 -","4","2","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100712","12.0158","0.0009","12.5469","0.0009","15.5078","0.0012","77.78","0.001","77.546","0.001","77.919","0.001","2198.2","0.3","100","","100","2","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,6-Me2-Ph)","","","- C53 H50 B Co P3 S -","- C53 H50 B Co P3 S -","- C106 H100 B2 Co2 P6 S2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100713","15.3738","0.0011","17.3171","0.0013","20.7953","0.0015","65.655","0.001","87.329","0.002","88.642","0.002","5038.5","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,4,6-iPr-Ph)","","","- C60 H64 B Co P3 S -","- C60 H64 B Co P3 S -","- C240 H256 B4 Co4 P12 S4 -","4","2","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100714","13.8333","0.001","13.9539","0.001","17.5922","0.0013","99.145","0.001","106.587","0.001","107.029","0.001","3000.8","0.4","96","","96","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,4,6-tBu-Ph)","","","- C69 H76 B Co P3 S -","- C69 H76 B Co P3 S -","- C138 H152 B2 Co2 P6 S2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100715","11.0416","0.0008","12.8426","0.0009","22.3975","0.0015","87.228","0.001","81.435","0.001","73.024","0.001","3003.7","0.4","96","","96","","","","","","","","","7","P -1","-P 1","2","[PhBP3]CoSSiPh3","","","- C75 H68 B Co P3 S Si -","- C75 H68 B Co P3 S Si -","- C150 H136 B2 Co2 P6 S2 Si2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100716","12.1092","0.0011","12.3919","0.0011","21.3227","0.0019","80.696","0.002","75.993","0.002","72.962","0.001","2954","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","[PhBP3]CoO(4-NMe2-Ph)3","","","- C69 H71 B Co N3 O P3 Si -","- C69 H71 B Co N3 O P3 Si -","- C138 H142 B2 Co2 N6 O2 P6 Si2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100717","12.942","0.001","20.8485","0.0015","21.5457","0.0016","77.529","0.001","82.143","0.001","88.626","0.001","5622.9","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoOCPh3","","","- C70 H62 B Co O P3 -","- C70 H62 B Co O P3 -","- C280 H248 B4 Co4 O4 P12 -","4","2","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100718","10.3161","0.0004","14.4678","0.0006","29.963","0.0013","90","","90","","90","","4472","0.3","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[PhBPiPr3]CoSSiPh3","","","- C45 H68 B Co P3 S Si -","- C45 H68 B Co P3 S Si -","- C180 H272 B4 Co4 P12 S4 Si4 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100719","13.592","0.002","14.814","0.002","19.251","0.003","72.567","0.003","87.945","0.003","82.565","0.002","3667","0.9","100","","100","","","","","","","","","8","P -1","-P 1","2","{[PhBP3]CoOSiPh3}{BPh4}","","","- C88.5 H79 B2 Cl1.5 Co O P3 Si -","- C88.5 H79 B2 Cl3 Co O P3 Si -","- C177 H158 B4 Cl6 Co2 O2 P6 Si2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100720","23.0774","0.0018","13.6982","0.001","7.9439","0.0006","90","","90","","90","","2511.2","0.3","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","(Tp*)CoS(2,6-Me2-Ph)","","","- C23 H31 B Co N6 S -","- C23 H31 B Co N6 S -","- C92 H124 B4 Co4 N24 S4 -","4","0.5","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100721","13.4295","0.0015","14.5619","0.0017","17.357","0.002","78.183","0.002","68.286","0.002","88.981","0.002","3080.3","0.6","295","","295","","","","","","","","","7","P -1","-P 1","2","BP3CoOSiPh3 295K","","","- C72 H65 B Co O P3 Si -","- C72 H65 B Co O P3 Si -","- C144 H130 B2 Co2 O2 P6 Si2 -","2","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100722","21.19","0.005","21.19","0.005","11.783","0.002","90","","90","","120","","4583.4","1.7","148","","148","","","","","","","","","7","P 64","P 64","172","[(R)-3,3'-dibromo-2,2'-binaphthoxy](di-t-butoxy)titanium(IV)","","","- C29.63 H28.63 Br2 Cl0.74 N0.63 O4 Ti -","- C29.63 H28.63 Br2 Cl0.37 N0.63 O4 Ti -","- C177.78 H171.78 Br12 Cl2.22 N3.78 O24 Ti6 -","6","1","","Tang, Hong-Zhi; Boyle, Paul D.; Novak, Bruce M.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0453533","","","","","","","0.051","","","0.048","","","","","","","","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4100723","20.576","0.004","10.621","0.002","21.728","0.004","90","","99.871","0.004","90","","4678","1","123.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H61 F3 Fe2 N6 O19 S -","- C35 H40 F3 Fe2 N6 O19 S -","- C140 H160 F12 Fe8 N24 O76 S4 -","4","0.5","","Xi Zhang","Models for Peroxo Intermediates of Non-Heme Diiron Enzymes Structural and Spectroscopic Characterization of (_-Hydroxo or_-oxo)(_-peroxo)diiron(III) Complexes having a Terminal Carboxylate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100724","14.863","0.003","21.036","0.004","21.788","0.004","90","","90.732","0.005","90","","6811","2","123.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64.5 H91 B Cl4 Fe2 N6 O13.5 -","- C64.5 H57 B Cl4 Fe2 N6 O13.5 -","- C258 H228 B4 Cl16 Fe8 N24 O54 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100725","15.92","0.004","15.912","0.004","21.288","0.005","90","","93.77","0.006","90","","5381","2","123.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H58 Fe2 N6 O14.5 -","- C35.5 H40 Fe2 N6 O14.5 -","- C142 H160 Fe8 N24 O58 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100726","10.8781","0.0002","15.8369","0.0002","33.7208","0.0003","90","","90.7775","0.0003","90","","5808.73","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H77.6 Cl N5 O10.8 -","- C54 H77.6 Cl N5 O10.8 -","- C216 H310.4 Cl4 N20 O43.2 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100727","16.0174","0.0001","10.3218","0.0001","35.6876","0.0003","90","","100.833","0.0004","90","","5795.03","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H84 Cl N5 O12 -","- C58 H84 Cl N5 O12 -","- C232 H336 Cl4 N20 O48 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100728","10.8811","0.0001","16.0952","0.0002","33.5237","0.0004","90","","90.6073","0.0004","90","","5870.79","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Br N5 O10 -","- C54 H76 Br N5 O10 -","- C216 H304 Br4 N20 O40 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100729","11.0374","0.0001","21.5071","0.0003","22.7595","0.0003","90","","100.948","0.0005","90","","5304.38","0.11","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H77 Cl N4 O10 -","- C54 H77 Cl N4 O10 -","- C216 H308 Cl4 N16 O40 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100730","18.2136","0.0013","18.2136","0.0013","18.2136","0.0013","90","","90","","90","","6042.1","0.7","233","2","233","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- H5 In7 Na5 O6 P0 S13 -","- H12 In7 Na5 O6 S13 -","- H96 In56 Na40 O48 S104 -","8","0.0833333","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050281g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100731","12.36","0.0008","13.2216","0.0009","28.7939","0.0019","90","","93.0864","0.0012","90","","4698.6","0.5","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H56 P2 Rh -","- C60 H56 P2 Rh -","- C240 H224 P8 Rh4 -","4","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja0502831","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100732","11.479","0.003","19.374","0.005","17.234","0.005","90","","91.107","0.005","90","","3832.1","1.7","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H47 P4 Rh -","- C43 H47 P4 Rh -","- C172 H188 P16 Rh4 -","4","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja0502831","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100733","11.3614","0.0008","14.4508","0.0007","17.8885","0.0011","90","","90.313","0.004","90","","2936.9","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H52 N2 P2 Ru Si2 -","- C22 H52 N2 P2 Ru Si2 -","- C88 H208 N8 P8 Ru4 Si8 -","4","2","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050361k","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100734","9.947","0.002","12.591","0.003","7.808","0.002","90","","95.54","0.006","90","","973.3","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 B F3 N0 O2 -","- C9 H10 B F3 O2 -","- C36 H40 B4 F12 O8 -","4","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050543e","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100735","6.018","0.0018","14.64","0.004","11.003","0.003","90","","92.89","0.006","90","","968.2","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 B F3 N O3 -","- C8 H7 B F3 N O3 -","- C32 H28 B4 F12 N4 O12 -","4","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050543e","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100736","17.998","0.003","13.063","0.002","18.084","0.003","90","","90","","90","","4251.7","1.1","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cl6 O3 Sb -","- C14 H19 Cl6 O3 Sb -","- C112 H152 Cl48 O24 Sb8 -","8","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050830i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100737","10.408","0.0019","12.304","0.002","18.297","0.003","90","","97.015","0.003","90","","2325.5","0.7","208","2","208","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 Cl6 O4 Sb -","- C14 H25 Cl6 O4 Sb -","- C56 H100 Cl24 O16 Sb4 -","4","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050830i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100738","9.8085","0.0002","30.7978","0.0007","10.1626","0.0002","90","","99.5875","0.001","90","","3027.04","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 Ca N4 O Si2 -","- C24 H46 Ca N4 O Si2 -","- C96 H184 Ca4 N16 O4 Si8 -","4","1","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051050c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100739","22.1186","0.0003","17.4676","0.0003","24.4576","0.0004","90","","103.381","0.001","90","","9192.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76.4 H144.39 Ca3 N3 O10.39 Si6 -","- C75.182 H129 Ca3 N3 O10.394 Si6 -","- C300.728 H516 Ca12 N12 O41.576 Si24 -","4","1","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051050c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100740","12.221","0.0003","30.8573","0.0007","15.7275","0.0004","90","","93.785","0.001","90","","5918","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H94 Ca K N3 O7 Si6 -","- C41 H94 Ca K N3 O7 Si6 -","- C164 H376 Ca4 K4 N12 O28 Si24 -","4","1","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051050c","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100741","17.422","0.003","17.076","0.002","15.536","0.002","90","","90","","90","","4622.2","1.1","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H70 Mg2 N2 O4 Si4 -","- C38 H70 Mg2 N2 O4 Si4 -","- C152 H280 Mg8 N8 O16 Si16 -","4","0.5","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051050c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100742","10.654","0.0018","14.514","0.003","16.899","0.003","64.694","0.003","88.776","0.005","89.879","0.005","2361.8","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H66 N2 O9 S Si -","- C46.5 H66 N2 O9 S Si -","- C93 H132 N4 O18 S2 Si2 -","2","1","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0510616","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100743","8.124","0.002","12.92","0.003","15.721","0.004","90","","90.069","0.004","90","","1650","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H48 O8 -","- C38 H48 O8 -","- C76 H96 O16 -","2","1","","Zhang, Liming; Kozmin, Sergey A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051110e","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100744","9.061","0.0003","31.43","0.0014","14.416","0.0006","90","","124.561","0.003","90","","3381","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H63 Al Si3 -","- C27 H63 Al Si3 -","- C108 H252 Al4 Si12 -","4","1","","Zhang, Liming; Kozmin, Sergey A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051814o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100745","9.078","0.0003","31.325","0.0018","14.412","0.0008","90","","124.835","0.004","90","","3363.9","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H63 Ga Si3 -","- C27 H63 Ga Si3 -","- C108 H252 Ga4 Si12 -","4","1","","Zhang, Liming; Kozmin, Sergey A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051814o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100746","12.212","0.0005","14.966","0.0007","16.599","0.0009","85.441","0.003","84.227","0.003","83.41","0.003","2991.3","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H102 Al K N2 O6 Si3 -","- C48 H102 Al K N2 O6 Si3 -","- C96 H204 Al2 K2 N4 O12 Si6 -","2","1","","Zhang, Liming; Kozmin, Sergey A.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051814o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100747","6.4552","0.0008","14.6777","0.0018","11.1916","0.0014","90","","102.127","0.003","90","","1036.7","0.2","180","2","180","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl N2 O2 Ru S -","- C22 H23 Cl N2 O2 Ru S -","- C44 H46 Cl2 N4 O4 Ru2 S2 -","2","1","","Jérôme Hannedouche; Guy J. Clarkson; Martin Wills","A New Class of ""Tethered"" Ruthenium(II) Catalyst for Asymmetric Transfer Hydrogenation Reactions","Journal of the American Chemical Society","2004","126","","986","987","10.1021/ja0392768","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100748","10.627","0.001","12.109","0.001","10.746","0.001","90","","113.193","0.001","90","","1271.2","0.2","118.2","","118.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H45 N Zr -","- C29 H45 N Zr -","- C58 H90 N2 Zr2 -","2","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100749","10.875","0.001","14.488","0.002","16.803","0.002","90","","93.866","0.002","90","","2641.3","0.6","123.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H45 N Si Zr -","- C28 H45 N Si Zr -","- C112 H180 N4 Si4 Zr4 -","4","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100750","9.4742","0.0004","13.8006","0.0006","19.2257","0.0008","90","","101.227","0.001","90","","2465.6","0.2","153.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 N Zr -","- C29 H38 N2 Zr -","- C116 H152 N8 Zr4 -","4","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100751","17.318","0.001","8.644","0.0006","33.192","0.002","89","","89","","90","","4968","1","123.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H33 F5 N2 Zr -","- C29 H33 F5 N2 Zr -","- C232 H264 F40 N16 Zr8 -","8","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100752","17.435","0.002","19.005","0.002","20.564","0.002","102.42","0.01","100.449","0.01","94.71","0.01","6491.9","1.2","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C261 H166 N34 O36 -","- C279 H262 N33 O35 -","- C279 H262 N33 O35 -","1","1","","Hua Jiang; Christel Dolain; Jean-Michel Léger; Heinz Gornitzka; Ivan Huc","Switching of Chiral Induction in Helical Aromatic Oligoamides Using Solid State-Solution State Equilibrium","Journal of the American Chemical Society","2004","126","","1034","1035","10.1021/ja039511m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100753","40.652","0.008","40.652","0.008","14.256","0.004","90","","90","","120","","20403","8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C33 H61 N4 O3 Si4 U -","- C32.5 H54 N4 O3 Si4 U -","- C585 H972 N72 O54 Si72 U18 -","18","1","","Mark J. Sarsfield; Madeleine Helliwell","Extending the Chemistry of the Uranyl Ion: Lewis Acid Coordination to a UO Oxygen","Journal of the American Chemical Society","2004","126","","1036","1037","10.1021/ja039101y","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100754","13.4316","0.001","15.6084","0.0012","17.2314","0.0013","112.095","0.001","93.246","0.001","112.454","0.001","3007.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H58.5 B F15 N4 O2 Si4 U -","- C54.5 H58.5 B F15 N4 O2 Si4 U -","- C109 H117 B2 F30 N8 O4 Si8 U2 -","2","1","","Mark J. Sarsfield; Madeleine Helliwell","Extending the Chemistry of the Uranyl Ion: Lewis Acid Coordination to a UO Oxygen","Journal of the American Chemical Society","2004","126","","1036","1037","10.1021/ja039101y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100755","7.9334","0.0016","35.541","0.008","13.126","0.003","90","","90.061","0.004","90","","3700.9","1.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15 Br O5 S -","- C20 H15 Br O5 S -","- C160 H120 Br8 O40 S8 -","8","4","","J. Adam McCubbin; Xia Tong; Ruiyao Wang; Yue Zhao; Victor Snieckus; Robert P. Lemieux","Directed Metalation Route to Ferroelectric Liquid Crystals with a Chiral Fluorenol Core: The Effect of Restricted Rotation on Polar Order","Journal of the American Chemical Society","2004","126","","1161","1167","10.1021/ja038920f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100756","9.933","0.009","16.926","0.016","16.484","0.015","90","","105.77","0.02","90","","2667","4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 F3 O3 P Pd S -","- C25 H38 F3 O3 P Pd S -","- C100 H152 F12 O12 P4 Pd4 S4 -","4","1","","James P. Stambuli; Christopher D. Incarvito; Michael Bühl; John F. Hartwig","Synthesis, Structure, Theoretical Studies, and Ligand Exchange Reactions of Monomeric, T-Shaped Arylpalladium(II) Halide Complexes with an Additional, Weak Agostic Interaction","Journal of the American Chemical Society","2004","126","","1184","1194","10.1021/ja037928m","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100757","8.7046","0.0017","17.837","0.004","12.781","0.003","90","","93.54","0.03","90","","1980.6","0.7","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Br P Pd -","- C18 H32 Br P Pd -","- C72 H128 Br4 P4 Pd4 -","4","1","","James P. Stambuli; Christopher D. Incarvito; Michael Bühl; John F. Hartwig","Synthesis, Structure, Theoretical Studies, and Ligand Exchange Reactions of Monomeric, T-Shaped Arylpalladium(II) Halide Complexes with an Additional, Weak Agostic Interaction","Journal of the American Chemical Society","2004","126","","1184","1194","10.1021/ja037928m","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100758","15.38","0.003","18.945","0.004","17.221","0.003","90","","116.14","0.03","90","","4504.4","1.6","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Br Fe P Pd -","- C54 H52 Br Fe P Pd -","- C216 H208 Br4 Fe4 P4 Pd4 -","4","1","","James P. Stambuli; Christopher D. Incarvito; Michael Bühl; John F. Hartwig","Synthesis, Structure, Theoretical Studies, and Ligand Exchange Reactions of Monomeric, T-Shaped Arylpalladium(II) Halide Complexes with an Additional, Weak Agostic Interaction","Journal of the American Chemical Society","2004","126","","1184","1194","10.1021/ja037928m","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100759","12.7858","0.0005","21.2972","0.0008","5.1864","0.0002","90","","90","","90","","1412.27","0.09","104","2","104","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H16 Cu Mn N2 O11 -","- C7 H16 Cu Mn N2 O11 -","- C28 H64 Cu4 Mn4 N8 O44 -","4","0.5","","Sébastien Pillet; Mohamed Souhassou; Corine Mathonière; Claude Lecomte","Electron Density Distribution of an Oxamato Bridged Mn(II)-Cu(II) Bimetallic Chain and Correlation to Magnetic Properties","Journal of the American Chemical Society","2004","126","","1219","1228","10.1021/ja030279u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100760","8.0836","0.0004","8.643","0.0004","14.6083","0.0007","88.564","0.002","86.5951","0.0018","85.039","0.002","1014.84","0.08","150","1","150","1","","","","","","","","9","P -1","-P 1","2","","","","- C11 H19 Cl2 F3 N3 O3 P S Si -","- C11 H19 Cl2 F3 N3 O3 P S Si -","- C22 H38 Cl4 F6 N6 O6 P2 S2 Si2 -","2","1","","Eric Rivard; Keith Huynh; Alan J. Lough; Ian Manners","Donor-Stabilized Cations and Imine Transfer from N-Silylphosphoranimines","Journal of the American Chemical Society","2004","126","","2286","2287","10.1021/ja039549z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100761","9.6148","0.0019","14.361","0.003","15.621","0.003","90","","91.421","0.001","90","","2156.2","0.8","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl N O4 -","- C25 H26 Cl N O4 -","- C100 H104 Cl4 N4 O16 -","4","1","","Patrick D. Pohlhaus; Roy K. Bowman; Jeffrey S. Johnson","Lewis Acid-Promoted Carbon-Carbon Bond Cleavage of Aziridines: Divergent Cycloaddition Pathways of the Derived Ylides","Journal of the American Chemical Society","2004","126","","2294","2295","10.1021/ja0397963","","","","","","","0.047","","","0.055","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100762","8.7338","0.0012","12.7194","0.0017","18.17","0.002","90","","90","","90","","2018.5","0.5","218","2","218","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 F5 I Ir P -","- C16 H24 F5 I Ir P -","- C64 H96 F20 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Reductive Activation of Carbon-Fluorine Bonds in Perfluoroalkyl Ligands: An Unexpected Route to the Only Known Tetrafluorobutatriene Transition Metal Complex: Ir(η5-C5Me5)(PMe3)(2,3-η2-CF2CCCF2)","Journal of the American Chemical Society","2004","126","","2308","2309","10.1021/ja031598o","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100763","14.8099","0.0008","10.7468","0.0006","12.6011","0.0007","90","","110.006","0.0011","90","","1884.56","0.18","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 F4 Ir P -","- C17 H24 F4 Ir P -","- C68 H96 F16 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Reductive Activation of Carbon-Fluorine Bonds in Perfluoroalkyl Ligands: An Unexpected Route to the Only Known Tetrafluorobutatriene Transition Metal Complex: Ir(η5-C5Me5)(PMe3)(2,3-η2-CF2CCCF2)","Journal of the American Chemical Society","2004","126","","2308","2309","10.1021/ja031598o","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100764","18.4013","0.0007","12.0982","0.0005","22.3482","0.0008","90","","90","","90","","4975.2","0.3","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C59 H57 Cl N2 P2 Ru -","- C58.994 H56.994 Cl N2 P2 Ru -","- C235.976 H227.976 Cl4 N8 P8 Ru4 -","4","1","","Christine Bibal; Maren Pink; Yegor D. Smurnyy; John Tomaszewski; Kenneth G. Caulton","Multifunctional Behavior by a Bis-(phosphinimino)methanide Ligand: η2- vs η3-coordination vs Bronsted Basicity","Journal of the American Chemical Society","2004","126","","2312","2313","10.1021/ja039711y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100765","8.029","0.0016","11.253","0.002","20.472","0.004","90","","105.38","0.03","90","","1783.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trans-[(NH3)2Pt(1,9-DimeAH-N7)2](ClO4)4*4H2O","","","- C14 H26 Cl4 N12 O20 Pt -","- C14 H26 Cl4 N12 O20 Pt -","- C28 H52 Cl8 N24 O40 Pt2 -","2","0.5","","Michael Roitzsch; Bernhard Lippert","Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of Strongly Shifted Adenine pKa Values","Journal of the American Chemical Society","2004","126","","2421","2424","10.1021/ja038834f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100766","13.026","0.003","21.698","0.004","19.871","0.004","90","","96.78","0.03","90","","5577","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trans-[(NH3)2Pt(1,9-DimeAH-N7)(1,9-DimeA-N7)](ClO4)3*1.5H2O","","","- C14 H25 Cl3 N12 O13.5 Pt -","- C14 H25 Cl3 N12 O13.5 Pt -","- C112 H200 Cl24 N96 O108 Pt8 -","8","2","","Michael Roitzsch; Bernhard Lippert","Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of Strongly Shifted Adenine pKa Values","Journal of the American Chemical Society","2004","126","","2421","2424","10.1021/ja038834f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100767","8.427","0.0017","12.633","0.003","13.015","0.003","101.34","0.03","100.41","0.03","101.76","0.03","1294.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","trans-[(NH3)2Pt(1,9-DimeA-N7)2](ClO4)2*H2O","","","- C14 H26 Cl2 N12 O9 Pt -","- C14 H26 Cl2 N12 O9 Pt -","- C28 H52 Cl4 N24 O18 Pt2 -","2","1","","Michael Roitzsch; Bernhard Lippert","Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of Strongly Shifted Adenine pKa Values","Journal of the American Chemical Society","2004","126","","2421","2424","10.1021/ja038834f","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100768","12.807","0.002","15.541","0.002","12.621","0.001","109.209","0.004","109.749","0.005","80.477","0.005","2228.5","0.4","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H43 N8 O10 P Zn2 -","- C46 H41 N7 O7 P Zn2 -","- C92 H82 N14 O14 P2 Zn4 -","2","1","","Akio Ojida; Yasuko Mito-oka; Kazuki Sada; Itaru Hamachi","Molecular Recognition and Fluorescence Sensing of Monophosphorylated Peptides in Aqueous Solution by Bis(zinc(II)-dipicolylamine)-Based Artificial Receptors","Journal of the American Chemical Society","2004","126","","2454","2463","10.1021/ja038277x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100769","26.4164","0.0005","26.4164","0.0005","13.6104","0.0002","90","","90","","120","","8225.2","0.3","150","1","150","1","","","","","","","","5","P 63","P 6c","173","","","","- C132 H234 O21 P12 Pt6 -","- C132 H216 O21.03 P12 Pt6 -","- C264 H432 O42.06 P24 Pt12 -","2","0.333333","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100770","26.2312","0.0009","26.2312","0.0009","14.5061","0.0005","90","","90","","120","","8644.1","0.5","150","1","150","1","","","","","","","","6","P 63","P 6c","173","","","","- C140 H218 Cl6 O12 P12 Pt6 -","- C139.99 H217.99 Cl5.97 O12 P12 Pt6 -","- C279.98 H435.98 Cl11.94 O24 P24 Pt12 -","2","0.333333","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100771","65.582","0.0013","13.9473","0.0003","18.5091","0.0004","90","","96.5331","0.0008","90","","16820.2","0.6","150","1","150","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C95 H147 Cl9 O8 P8 Pt4 -","- C95 H147 Cl9 O8 P8 Pt4 -","- C570 H882 Cl54 O48 P48 Pt24 -","6","1.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100772","17.2967","0.0002","21.7453","0.0002","26.3952","0.0003","90","","90","","90","","9927.81","0.19","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H146 N2 O10 P8 Pt4 -","- C90 H146 N2 O10 P8 Pt4 -","- C360 H584 N8 O40 P32 Pt16 -","4","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100773","12.293","0.0002","13.3346","0.0002","18.4568","0.0003","83.6936","0.0011","82.6978","0.0009","63.396","0.001","2678.43","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C90 H146 Cl6 O8 P8 Pt4 -","- C90 H146 Cl6 O8 P8 Pt4 -","- C90 H146 Cl6 O8 P8 Pt4 -","1","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100774","10.1898","0.0001","17.496","0.0004","20.0771","0.0004","65.8038","0.0009","89.45","0.0012","88.8228","0.0013","3264.21","0.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C108 H156 Cl12 O8 P8 Pt4 -","- C108 H156 Cl12 O8 P8 Pt4 -","- C108 H156 Cl12 O8 P8 Pt4 -","1","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100775","10.237","0.0003","15.5079","0.0004","21.7184","0.0007","110.764","0.0015","92.4544","0.0021","102.612","0.0018","3118.72","0.16","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C107 H155 Cl9 N4 O8 P8 Pt4 -","- C107 H155 Cl9 N4 O8 P8 Pt4 -","- C107 H155 Cl9 N4 O8 P8 Pt4 -","1","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100776","40.5363","0.0008","7.6077","0.0001","10.7656","0.0002","90","","96.553","0.002","90","","3298.29","0.1","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C128 H208 O24 -","8","2","","Svetlana A. Burova; Frank E. McDonald","Total Synthesis of the Polyene-Polyol Macrolide RK-397, Featuring Cross-Couplings of Alkynylepoxide Modules","Journal of the American Chemical Society","2004","126","","2495","2500","10.1021/ja039618+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100777","16.827","0.003","11.191","0.002","34.119","0.007","90","","99.31","0.03","90","","6340","2","301","2","301","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 Cl3 F6 N4 P Ru -","- C25 H44 Cl3 F6 N4 P Ru -","- C200 H352 Cl24 F48 N32 P8 Ru8 -","8","2","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100778","10.599","0.002","9.24","0.0018","18.651","0.004","90","","93.14","0.03","90","","1823.8","0.6","301","2","301","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H50 Cl3 F6 N4 P Ru -","- C32 H50 Cl3 F6 N4 P Ru -","- C64 H100 Cl6 F12 N8 P2 Ru2 -","2","1","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100779","8.875","0.002","11.351","0.002","33.375","0.007","90","","90","","90","","3362.2","1.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 Cl F6 N4 P Ru -","- C31 H46 Cl F6 N4 P Ru -","- C124 H184 Cl4 F24 N16 P4 Ru4 -","4","1","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100780","14.517","0.003","31.896","0.006","10.38","0.002","90","","133.14","0.03","90","","3507.1","1.2","301","2","301","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H50 Cl F6 N4 P Ru -","- C33 H50 Cl F6 N4 P Ru -","- C132 H200 Cl4 F24 N16 P4 Ru4 -","4","0.5","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100781","15.7889","0.0011","18.3915","0.0012","19.4754","0.0013","71.026","0.001","73.109","0.001","89.8","0.001","5091.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H127 Co N7 Si -","- C123 H118 Co N7 Si -","- C246 H236 Co2 N14 Si2 -","2","1","","Bobby Ramdhanie; Joshua Telser; Andrea Caneschi; Lev N. Zakharov; Arnold L. Rheingold; David P. Goldberg","An Example of O2 Binding in a Cobalt(II) Corrole System and High-Valent Cobalt-Cyano and Cobalt-Alkynyl Complexes","Journal of the American Chemical Society","2004","126","","2515","2525","10.1021/ja036983s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100782","9.6251","0.0017","10.1925","0.0018","15.986","0.003","84.335","0.003","78.348","0.004","89.358","0.003","1528.4","0.5","496","2","496","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H27 N9 O13 Pt2 -","- C15 H27 N9 O13 Pt2 -","- C30 H54 N18 O26 Pt4 -","2","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100783","9.6133","0.0006","10.0893","0.0007","17.1561","0.0011","106.867","0.001","100.741","0.001","93.34","0.001","1553.3","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14.5 H43 N9 O13.5 Pt2 -","- C13 N9 O12 Pt2 -","- C26 N18 O24 Pt4 -","2","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100784","9.5166","0.0015","10.1385","0.0017","16.124","0.003","84.358","0.003","78.82","0.003","88.152","0.003","1518.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H41 N10 O17 Pt2 -","- C15 N9 O13 Pt2 -","- C30 N18 O26 Pt4 -","2","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100785","9.4625","0.0004","10.0973","0.0004","30.1278","0.0012","90","","96.449","0.001","90","","2860.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H39 N9 O13 Pt2 -","- C14 N9 O13 Pt2 -","- C56 N36 O52 Pt8 -","4","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100786","9.807","0.008","10.045","0.008","14.724","0.011","88.363","0.014","82.96","0.012","84.854","0.014","1433.5","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H39 N9 O12 Pt2 -","- C14 N9 O12 Pt2 -","- C28 N18 O24 Pt4 -","2","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100787","10.134","0.001","10.2","0.001","19.395","0.001","90","","90","","90","","2004.8","0.3","120","2","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C6 H27 F6 N5 O5 P2 Ru -","- C6 H27 F6 N5 O5 P2 Ru -","- C24 H108 F24 N20 O20 P8 Ru4 -","4","1","","Rose Maria Carlos; Daniel Rodrigues Cardoso; Eduardo Ernesto Castellano; Renata Zachi Osti; Ademir João Camargo; Luis Guilherme Macedo; Douglas Wagner Franco","Reactivity of Radicals Generated on Irradiation of trans-[Ru(NH3)4(NO2)P(OEt)3](PF6)","Journal of the American Chemical Society","2004","126","","2546","2555","10.1021/ja0373263","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100788","15.458","0.003","14.22","0.003","14.245","0.003","90","","99.84","0.01","90","","3085.2","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H24 Gd0.5 N2 Na0.5 O7 -","- C11 H24 Gd0.5 N2 Na0.5 O7 -","- C88 H192 Gd4 N16 Na4 O56 -","8","1","","Weisheng Liu; Tianquan Jiao; Yizhi Li; Quanzhong Liu; Minyu Tan; Hong Wang; Liufang Wang","Lanthanide Coordination Polymers and Their Ag±Modulated Fluorescence","Journal of the American Chemical Society","2004","126","","2280","2281","10.1021/ja036635q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100789","10.1889","0.0013","11.05","0.003","19.46","0.002","87.09","0.03","77.37","0.02","89.02","0.02","2135.1","0.7","93.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Kohtaro Osakada","Formation of Pseudorotaxane Induced by Electrochemical Oxidation of Ferrocene-Containing Axis Molecule in the Presence of Crown Ether","Journal of the American Chemical Society","2004","126","","3684","3685","10.1021/ja039899l","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100790","10.5206","0.0008","19.82","0.002","13.2299","0.0002","90","","101.937","0.0003","90","","2699","0.3","295.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 B N7 O2 Ru -","- C27 H26 B N7 O2 Ru -","- C108 H104 B4 N28 O8 Ru4 -","4","1","","Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi","Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products","Journal of the American Chemical Society","2004","126","","3706","3707","10.1021/ja039365k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100791","24.981","0.004","14.817","0.002","15.9869","0.0004","90","","114.257","0.0008","90","","5395","1","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 B N7 O2 Ru -","- C27 H26 B N7 O2 Ru -","- C216 H208 B8 N56 O16 Ru8 -","8","1","","Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi","Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products","Journal of the American Chemical Society","2004","126","","3706","3707","10.1021/ja039365k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100792","9.163","0.002","12.631","0.003","13.078","0.003","76.4","0.01","89.411","0.003","78.864","0.002","1442.5","0.6","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 B N7 O4 Ru -","- C27 H24 B N7 O4 Ru -","- C54 H48 B2 N14 O8 Ru2 -","2","1","","Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi","Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products","Journal of the American Chemical Society","2004","126","","3706","3707","10.1021/ja039365k","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100793","23.365","0.004","10.161","0.0008","23.375","0.001","90","","101.44","0.001","90","","5439","1","295.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 B N7 O2 Ru -","- C25 H22 B N7 O2 Ru -","- C200 H176 B8 N56 O16 Ru8 -","8","1","","Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi","Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products","Journal of the American Chemical Society","2004","126","","3706","3707","10.1021/ja039365k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100794","9.7951","0.0009","15.3104","0.0013","18.4426","0.0017","101.362","0.002","104.892","0.002","92.428","0.002","2607.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H56 N8 O10 -","- C52 H56 N8 O10 -","- C104 H112 N16 O20 -","2","1","","Yoshihiko Yamamoto; Jun-ichi Ishii; Hisao Nishiyama; Kenji Itoh","Ru(II)-Catalyzed Chemo- and Regioselective Cyclotrimerization of Three Unsymmetrical Alkynes through Boron Temporary Tether. One-Pot Four-Component Coupling via Cyclotrimerization/Suzuki-Miyaura Coupling","Journal of the American Chemical Society","2004","126","","3712","3713","10.1021/ja049673y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100795","9.7618","0.001","11.1373","0.0012","13.994","0.002","75.116","0.007","88.385","0.005","81.432","0.004","1453.9","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N O3 Si -","- C35 H27 N O3 Si -","- C70 H54 N2 O6 Si2 -","2","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100796","12.16","0.0009","8.938","0.0007","27.063","0.002","90","","95.257","0.004","90","","2929","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N O Si -","- C36 H27 N O Si -","- C144 H108 N4 O4 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100797","12.8027","0.0003","12.3508","0.0003","19.4729","0.0005","90","","104.243","0.002","90","","2984.48","0.13","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N2 O2 Si -","- C36 H30 N2 O2 Si -","- C144 H120 N8 O8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100798","13.56","0.001","11.1079","0.0009","20.257","0.002","90","","97.208","0.004","90","","3027.1","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 N2 Si -","- C37 H30 N2 Si -","- C148 H120 N8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100799","21.4414","0.0002","14.376","0.0003","9.1017","0.0005","90","","90","","90","","2805.52","0.17","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H26 N2 O2 Si -","- C34 H26 N2 O2 Si -","- C136 H104 N8 O8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100800","21.8115","0.0004","14.0448","0.0002","9.2118","0.0001","90","","90","","90","","2821.93","0.07","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35 H26 N2 Si -","- C35 H26 N2 Si -","- C140 H104 N8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100801","41.7907","0.0009","7.5006","0.0001","17.4735","0.0003","90","","90","","90","","5477.16","0.17","293","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C35 H28 O Si -","- C35 H28 O Si -","- C280 H224 O8 Si8 -","8","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100802","10.425","0.002","10.502","0.002","10.984","0.002","76.11","0.03","83.4","0.03","66.3","0.03","1068.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br2 N4 O4 -","- C20 H22 Br2 N4 O4 -","- C40 H44 Br4 N8 O8 -","2","1","","Phil S. Baran; Alexandros L. Zografos; Daniel P. O'Malley","Short Total Synthesis of (\±)-Sceptrin","Journal of the American Chemical Society","2004","126","","3726","3727","10.1021/ja049648s","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100803","20.363","0.002","19.4145","0.0019","13.8696","0.0013","90","","94.4","0.002","90","","5466.9","0.9","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Fe2 N8 Ru2 -","- C60 H62 Fe2 N8 Ru2 -","- C240 H248 Fe8 N32 Ru8 -","4","1","","Guo-Lin Xu; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","trans-Bis(alkynyl) Diruthenium(III) Tetra(amidinate): An Effective Facilitator of Electronic Delocalization","Journal of the American Chemical Society","2004","126","","3728","3729","10.1021/ja049915u","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100804","9.9354","0.001","11.882","0.002","12.041","0.002","90","","115.247","0.011","90","","1285.7","0.4","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 O4 -","- C11 H20 O4 -","- C44 H80 O16 -","4","1","","A. Tessa ten Cate; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E.W. Meijer","Conformational control in cyclization of hydrogen-bonded supramolecular polymers","Journal of the American Chemical Society","2004","126","","3801","3808","10.1021/ja039408x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100805","6.17","0.0009","9.9686","0.0015","12.025","0.003","90","","118.864","0.016","90","","647.7","0.2","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 O4 -","- C12 H22 O4 -","- C24 H44 O8 -","2","0.5","","A. Tessa ten Cate; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E.W. Meijer","Conformational control in cyclization of hydrogen-bonded supramolecular polymers","Journal of the American Chemical Society","2004","126","","3801","3808","10.1021/ja039408x","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100806","12.488","0.002","11.018","0.002","11.207","0.002","90","","112.319","0.01","90","","1426.5","0.4","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 O4 -","- C13 H24 O4 -","- C52 H96 O16 -","4","1","","A. Tessa ten Cate; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E.W. Meijer","Conformational control in cyclization of hydrogen-bonded supramolecular polymers","Journal of the American Chemical Society","2004","126","","3801","3808","10.1021/ja039408x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100807","18.3004","0.0006","10.759","0.003","11.458","0.002","90","","90","","90","","2255.9","0.8","223.2","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H18 Co N8 O8 -","- C22 H18 Co N8 O8 -","- C88 H72 Co4 N32 O32 -","4","0.5","","Kazuhiro Uemura; Susumu Kitagawa; Kôichi Fukui; Kazuya Saito","A Contrivance for a Dynamic Porous Framework: Cooperative Guest Adsorption Based on Square Grids Connected by Amide-Amide Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","3817","3828","10.1021/ja039914m","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100808","10.481","0.007","19.03","0.01","10.894","0.008","90","","90","","90","","2172","2","293.2","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C22 H16 Br2 Co N6 O2 -","- C22 H16 Br2 Co N6 O2 -","- C88 H64 Br8 Co4 N24 O8 -","4","0.25","","Kazuhiro Uemura; Susumu Kitagawa; Kôichi Fukui; Kazuya Saito","A Contrivance for a Dynamic Porous Framework: Cooperative Guest Adsorption Based on Square Grids Connected by Amide-Amide Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","3817","3828","10.1021/ja039914m","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100809","11.115","0.003","22.046","0.007","9.717","0.003","90","","100.834","0.007","90","","2338","1","293.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 Co N8 O6 S2 -","- C40 H26 Co N8 O6 S2 -","- C80 H52 Co2 N16 O12 S4 -","2","0.5","","Kazuhiro Uemura; Susumu Kitagawa; Kôichi Fukui; Kazuya Saito","A Contrivance for a Dynamic Porous Framework: Cooperative Guest Adsorption Based on Square Grids Connected by Amide-Amide Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","3817","3828","10.1021/ja039914m","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100810","7.1177","0.0001","15.9835","0.0003","12.2135","0.0002","90","","100.343","0.001","90","","1366.9","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C64 H52 N4 O20 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100811","7.18","0.0001","16.0048","0.0003","12.2543","0.0002","90","","100.671","0.001","90","","1383.84","0.04","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C64 H52 N4 O20 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100812","7.2913","0.0001","16.0408","0.0003","12.3333","0.0002","90","","101.273","0.001","90","","1414.65","0.04","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C64 H52 N4 O20 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100813","8.0343","0.0002","12.1631","0.0003","12.5018","0.0003","90","","94.9","0.002","90","","1217.24","0.05","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100814","8.0461","0.0002","12.1734","0.0002","12.5136","0.0003","90","","94.872","0.0007","90","","1221.26","0.05","125","","125","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100815","8.0738","0.0002","12.1896","0.0002","12.5397","0.0003","90","","94.782","0.0008","90","","1229.82","0.05","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100816","8.1582","0.0003","12.2379","0.0004","12.6372","0.0005","90","","94.64","0.002","90","","1257.55","0.08","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100817","10.4208","0.0001","15.3407","0.0002","19.1777","0.0003","90","","90","","90","","3065.79","0.07","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100818","10.4213","0.0001","15.3544","0.0002","19.2246","0.0003","90","","90","","90","","3076.18","0.07","125","","125","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100819","10.4219","0.0001","15.3837","0.0002","19.3309","0.0003","90","","90","","90","","3099.27","0.07","175","","175","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100820","10.4126","0.0002","15.4723","0.0002","19.6515","0.0004","90","","90","","90","","3165.99","0.1","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100849","11.1012","0.0003","8.5576","0.0001","38.4579","0.0011","90","","97.6502","0.001","90","","3620.97","0.15","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H53 P Si2 Ti -","- C38 H53 P Si2 Ti -","- C152 H212 P4 Si8 Ti4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100850","6.018","0.0001","12.2151","0.0004","19.3869","0.0006","90","","92.6584","0.0018","90","","1423.61","0.07","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Mo -","- C17 H22 Mo -","- C68 H88 Mo4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100851","9.7526","0.0003","11.092","0.0004","12.3529","0.0004","90","","92.3555","0.0019","90","","1335.16","0.08","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 W -","- C16 H20 W -","- C64 H80 W4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100852","9.3925","0.0003","14.7287","0.0003","16.6544","0.0004","90","","96.6871","0.0013","90","","2288.28","0.1","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Ti -","- C26 H42 Ti -","- C104 H168 Ti4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100853","14.9263","0.0002","11.1737","0.0002","14.9173","0.0002","90","","109.442","0.0008","90","","2346.08","0.06","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Zr -","- C26 H40 Zr -","- C104 H160 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100854","11.563","0.003","5.5036","0.0013","23.814","0.006","90","","94.874","0.004","90","","1510","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N2 -","- C38 H50 N2 -","- C76 H100 N4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100855","17.6093","0.0018","6.419","0.0006","22.173","0.002","90","","100.713","0.002","90","","2462.6","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C120 H104 N24 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100856","7.1861","0.0008","10.2628","0.0012","15.5477","0.0017","90","","90","","90","","1146.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N3 O -","- C12 H15 N3 O -","- C48 H60 N12 O4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100857","9.5472","0.0009","10.0099","0.001","10.6006","0.001","89.779","0.002","74.853","0.002","64.089","0.002","872.44","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C44 H38 N6 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100858","9.8358","0.0007","18.6733","0.0013","10.182","0.0007","90","","117.307","0.001","90","","1661.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 -","- C21 H17 N3 -","- C84 H68 N12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100859","18.363","0.004","19.578","0.004","19.987","0.004","90","","113.78","0.03","90","","6575","2","301","2","301","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H71 Cl N7 O7 Ru S -","- C65 H60 Cl N7 O7 Ru S -","- C260 H240 Cl4 N28 O28 Ru4 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100860","22.716","0.009","12.743","0.009","39.7","0.015","90","","92.475","0.014","90","","11482","10","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C27.38 H33.5 Cl2.5 F36 N3 O12 P6 Rh2 -","- C27.13 H33 Cl2.25 F36 N3 O12 P6 Rh2 -","- C217.04 H264 Cl18 F288 N24 O96 P48 Rh16 -","8","1","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100861","13.0479","0.0011","17.4813","0.0014","25.268","0.002","90","","100.247","0.002","90","","5671.6","0.8","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Cl2 F36 N3 O12 P6 Rh2 -","- C26 H32 Cl2 F34.5 N3 O12 P6 Rh2 -","- C104 H128 Cl8 F138 N12 O48 P24 Rh8 -","4","1","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100862","22.496","0.004","13.547","0.002","21.382","0.004","90","","91.91","0.004","90","","6513","2","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H38 Cl2 F36 N4 O12 P6 Rh2 -","- C31 H41 Cl2 F36 N5 O12 P6 Rh2 -","- C124 H164 Cl8 F144 N20 O48 P24 Rh8 -","4","0.5","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100863","11.5832","0.001","12.502","0.0011","21.6206","0.0019","98.106","0.002","93.609","0.002","109.725","0.002","2897.2","0.4","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H35 Cl2 F36 N3 O12 P6 Rh2 -","- C27 H35 Cl2 F36 N3 O12 P6 Rh2 -","- C54 H70 Cl4 F72 N6 O24 P12 Rh4 -","2","1","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100864","23.8123","0.0008","23.8123","0.0008","20.0571","0.0013","90","","90","","90","","11372.9","0.9","150","2","150","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C27 H30 Cl2 F36 O12 P6 Rh2 -","- C27 H30 Cl2 F36 O12 P6 Rh2 -","- C216 H240 Cl16 F288 O96 P48 Rh16 -","8","0.5","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100865","26.8372","0.0018","27.313","0.003","38.801","0.003","90","","90","","90","","28441","4","100","2","100","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C96 H102 Cl4 F72 Ir4 O24 P12 -","- C96 H102 Cl4 F72 Ir4 O24 P12 -","- C768 H816 Cl32 F576 Ir32 O192 P96 -","8","0.25","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100866","12.2242","0.0012","21.88","0.002","27.148","0.003","91.33","0.002","102.312","0.002","90.81","0.002","7090.9","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46.25 H52 Cl2 F36 Ir2 O12 P6 -","- C46.75 H52.25 Cl2 F36 Ir2 O12 P6 -","- C187 H209 Cl8 F144 Ir8 O48 P24 -","4","2","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100867","24.408","0.002","17.8402","0.0016","15.7183","0.0014","90","","110.416","0.002","90","","6414.5","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H42 Cl2 F36 Ir2 O12 P6 -","- C39 H42 Cl2 F36 Ir2 O12 P6 -","- C156 H168 Cl8 F144 Ir8 O48 P24 -","4","1","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100868","16.226","0.002","19.218","0.003","24.237","0.003","110.279","0.003","94.226","0.003","104.932","0.003","6738.3","1.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H46 Cl3 F36 N O12 P6 Rh2 -","- C35 H46 Cl3 F36 N O12 P6 Rh2 -","- C140 H184 Cl12 F144 N4 O48 P24 Rh8 -","4","2","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100869","9.673","0.0013","9.1275","0.0012","29.259","0.004","90","","92.084","0.002","90","","2581.6","0.6","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Cl2 F12 N4 P6 Rh2 -","- C8 H18 Cl2 F12 N4 P6 Rh2 -","- C32 H72 Cl8 F48 N16 P24 Rh8 -","4","1","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100870","13.3588","0.0016","13.3588","0.0016","31.219","0.008","90","","90","","120","","4824.8","1.4","193","2","193","2","","","","","","","","4","P 61","P 61","169","","","","- C21 H28 N6 O9 -","- C21 H28 N6 O9 -","- C126 H168 N36 O54 -","6","1","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100871","12.9064","0.0004","12.9064","0.0004","30.2416","0.0015","90","","90","","90","","5037.5","0.3","293","2","130","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H29 Co3 K O24 -","- C12 H8 Co3 K O24 -","- C96 H64 Co24 K8 O192 -","8","0.5","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4100872","6.147","0.0004","11.4061","0.0007","20.3654","0.0016","90","","93.172","0.009","90","","1425.7","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H17 N5 O6 -","- C12 H17 N5 O6 -","- C48 H68 N20 O24 -","4","2","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","183277","2020-10-21","18:00:00",""
"4100873","16.497","0.003","17.251","0.004","17.531","0.004","100.58","0.03","114.69","0.03","100.46","0.03","4265.5","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H74 Cl4 Fe N2 Na O10.5 -","- C105 H67 Cl4 Fe N2 Na O10.5 -","- C210 H134 Cl8 Fe2 N4 Na2 O21 -","2","1","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","183277","2020-10-21","18:00:00",""
"4100874","16.5031","0.0007","16.7301","0.0007","17.3222","0.0008","76.098","0.001","72.453","0.001","76.436","0.001","4358.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H71 Cl8 Fe N2 Na O10 -","- C101 H63 Fe N2 Na O10 -","- C202 H126 Fe2 N4 Na2 O20 -","2","1","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","183277","2020-10-21","18:00:00",""
"4100875","12.3577","0.0002","21.2622","0.0004","19.8755","0.0003","90","","106.17","0.001","90","","5015.73","0.15","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H53 B F4 P2 Ru -","- C60 H53 B F4 P2 Ru -","- C240 H212 B4 F16 P8 Ru4 -","4","1","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","183277","2020-10-21","18:00:00",""
"4100876","7.227","0.002","8.653","0.002","12.729","0.003","102.354","0.004","98.757","0.004","110.608","0.004","704.9","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","[HBPTSMe][OTf]","","","- C7 H4 F3 N3 O3 S3 Se2 -","- C7 H4 F3 N3 O3 S3 Se2 -","- C14 H8 F6 N6 O6 S6 Se4 -","2","1","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4100877","4.924","0.004","12.616","0.011","15.086","0.013","90","","94.563","0.014","90","","934.1","1.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[HBPTSMe]","","","- C12 H8 N6 S4 Se4 -","- C12 H8 N6 S4 Se4 -","- C24 H16 N12 S8 Se8 -","2","0.5","","Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","183277","2020-10-21","18:00:00",""
"4100878","10.458","","14.4168","","23.8824","","90","","97.264","","90","","3571.9","0.2","28","1","28","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 Cr2 K N2 O16 -","- C28 H37 Cr2 K N2 O16 -","- C112 H148 Cr8 K4 N8 O64 -","4","1","","Piero Macchi; Daniela Donghi; Angelo Sironi","The electron density of bridging hydrides observed via experimental and theoretical investigations on [Cr2(m-H)(CO)10]-","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100879","12.0407","0.0009","17.0916","0.0013","17.268","0.0015","90","","103.062","0.006","90","","3461.7","0.5","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cu2 O10 S2 -","- C32 H32 Cu2 O10 S2 -","- C128 H128 Cu8 O40 S8 -","4","1","","Reyes-Ortega, Yasmi; Alcántara-Flores, José L.; Hernández-Galindo, María C.; Ramírez-Rosales, Daniel; Bernès, Sylvain; Ramírez-García, Juán C.; Zamorano-Ulloa, Rafael; Escudero, Roberto","Magnetic Properties and Crystal Structure of a One-dimensional Phase of Tetrakis(μ~2~-benzoato-O,O'-bis(dimethylsulfoxide)-di-copper(II)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100880","14.743","0.005","10.9","0.004","19.025","0.007","90","","90.526","0.006","90","","3057.2","1.8","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H41 F6 Fe2 O2 P5 S2 -","- C16 H41 F6 Fe2 O2 P5 S2 -","- C64 H164 F24 Fe8 O8 P20 S8 -","4","1","","van der Vlugt, Jarl Ivar; Rauchfuss, Thomas B.; Wilson, Scott R.","g21ca","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4100881","10.839","0.005","18.496","0.008","14.483","0.006","90","","110.333","0.006","90","","2723","2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 F6 Fe2 O3 P4 S2 -","- C14 H32 F6 Fe2 O3 P4 S2 -","- C56 H128 F24 Fe8 O12 P16 S8 -","4","1","","van der Vlugt, Jarl Ivar; Rauchfuss, Thomas B.; Wilson, Scott R.","g27ca","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100882","33.1943","0.0011","17.1237","0.0006","25.3979","0.0009","90","","109.218","0.002","90","","13631.9","0.8","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H91 F12 Fe4 N3 O4 P10 S4 -","- C38 H91 F12 Fe4 N3 O4 P10 S4 -","- C304 H728 F96 Fe32 N24 O32 P80 S32 -","8","1","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100883","11.1005","0.0011","11.1138","0.0011","12.3051","0.0013","90","","110.71","0.002","90","","1420","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cu(BNA)2(H2O)7","","","- C24 H28 Cu N4 O15 -","- C24 H22 Cu N4 O15 -","- C48 H44 Cu2 N8 O30 -","2","1","","Radu Custelcean","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100884","16.672","0.003","31.875","0.006","16.47","0.003","90","","105.04","0.003","90","","8453","3","188","2","188","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H99.5 F9 N1.5 O20 Ru3 S3 -","- C67.37 H83.5 F7.9 N1.5 O18.1 Ru3 S2.94 -","- C269.48 H334 F31.6 N6 O72.4 Ru12 S11.76 -","4","1","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.1032","0.0778","","","0.2145","0.2286","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100885","16.672","0.003","31.875","0.006","16.47","0.003","90","","105.04","0.003","90","","8453","3","188","2","188","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C0.69 H0.38 F0.07 N0.03 O0.12 Ru0.02 S0.02 -","- C0.448258 H0.545455 F0.0113636 O0.0568182 Ru0.0227273 S0.00333333 -","- C236.68 H288 F6 O30 Ru12 S1.76 -","528","132","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.0676","0.0546","","","0.1545","0.1611","","","","","","1.081","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100886","19.3059","0.0019","19.3059","0.0019","47.475","0.009","90","","90","","120","","15324","4","188","2","188","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C142.67 H227 F36 N25.67 O63.33 Ru6 Sb6 -","- C118.02 H144 F29.06 N12 O18.12 Ru6 Sb5 -","- C354.06 H432 F87.18 N36 O54.36 Ru18 Sb15 -","3","0.166667","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.1187","0.0834","","","0.2623","0.2869","","","","","","1.16","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100887","19.3059","0.0019","19.3059","0.0019","47.475","0.009","90","","90","","120","","15324","4","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C142.67 H227 F36 N25.67 O63.33 Ru6 Sb6 -","- C117 H144 F5.96 O12 Ru6 Sb -","- C351 H432 F17.88 O36 Ru18 Sb3 -","3","0.166667","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.0665","0.0533","","","0.1481","0.1542","","","","","","0.951","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100888","16.2016","0.0017","8.6614","0.0009","17.9532","0.0019","90","","98.067","0.002","90","","2494.4","0.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl F3 N2 O3 Ru S -","- C22 H30 Cl F3 N2 O3 Ru S -","- C88 H120 Cl4 F12 N8 O12 Ru4 S4 -","4","1","","Arduengo, 3rd, Anthony J.; Tapu, Daniela; Marshall, William J.","A bimetallic complex containing a cyclopentadienyl-annulated imidazol-2-ylidene.","Journal of the American Chemical Society","2005","127","47","16400","16401","10.1021/ja055565f","","","0.71073","MoKα","","0.0301","0.0251","","","0.0633","0.0661","","","","","","1.045","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100889","23.064","0.002","10.408","0.001","24.166","0.002","90","","104.88","0.002","90","","5606.5","0.9","293","2","293","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Cl F3 N2 O3 P2 Pd Ru S -","- C58 H60 Cl F3 N2 O3 P2 Pd Ru S -","- C232 H240 Cl4 F12 N8 O12 P8 Pd4 Ru4 S4 -","4","1","","Arduengo, 3rd, Anthony J.; Tapu, Daniela; Marshall, William J.","A bimetallic complex containing a cyclopentadienyl-annulated imidazol-2-ylidene.","Journal of the American Chemical Society","2005","127","47","16400","16401","10.1021/ja055565f","","","0.71073","MoKα","","0.0935","0.0439","","","0.0949","0.1187","","","","","","1.014","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100890","23.062","0.0007","18.3784","0.0005","21.6713","0.0007","90","","105.925","0.002","90","","8832.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(dibenzoylmethanato)(1,1'-bi-2-naphtholato)tin(IV) dichloromethane solvate","","","- C51.75 H37.5 Cl3.5 O6 Sn -","- C50 H34 O6 Sn -","- C400 H272 O48 Sn8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100891","22.1216","0.0004","17.2637","0.0003","22.7113","0.0004","90","","108.677","0.001","90","","8216.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(dibenzoylmethanato)(1,1'-bi-2-naphtholato)titanium(IV) dichloromethane solvate","","","- C50.75 H35.5 Cl1.5 O6 Ti -","- C50 H34 O6 Ti -","- C400 H272 O48 Ti8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100892","32.808","0.003","10.4974","0.0014","25.079","0.004","90","","107.693","0.008","90","","8228.6","1.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis(2,2,6,6-tetramethylheptane-3,5-dionato)(1,1'-bi-2-naphtholato)titanium(IV) hemihexane solvate","","","- C45 H57 O6 Ti -","- C45 H57 O6 Ti -","- C360 H456 O48 Ti8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100893","16.8079","0.0012","16.8079","0.0012","11.5301","0.0017","90","","90","","120","","2820.9","0.5","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C24 H60 B12 O12 -","- C24 H60 B12 O12 -","- C72 H180 B36 O36 -","3","0.5","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100894","27.473","0.003","27.473","0.003","9.143","0.002","90","","90","","120","","5976.2","1.8","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H72 B12 F12 O12 -","- C84 H72 B12 F12 O12 -","- C252 H216 B36 F36 O36 -","3","0.166667","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100895","12.965","0.003","13.363","0.003","14.245","0.004","111.352","0.004","104.803","0.004","106.682","0.004","2014.7","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 B12 F12 O12 -","- C84 H72 B12 F12 O12 -","- C84 H72 B12 F12 O12 -","1","0.5","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100896","13.0473","0.0014","14.0975","0.0015","14.3672","0.0016","113.052","0.002","101.158","0.002","106.955","0.002","2179.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 B12 Cl12 O12 -","- C84 H72 B12 Cl12 O12 -","- C84 H72 B12 Cl12 O12 -","1","0.5","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100897","13.2527","0.0008","14.2625","0.0009","14.6453","0.0009","113.903","0.001","101.217","0.001","106.374","0.001","2272.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 B12 Br12 O12 -","- C84 H72 B12 Br12 O12 -","- C84 H72 B12 Br12 O12 -","1","0.5","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100898","13.8938","0.001","14.1981","0.001","14.5566","0.0011","104.635","0.001","112.703","0.001","109.693","0.001","2238.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 B12 Br12 O12 -","- C84 H72 B12 Br12 O12 -","- C84 H72 B12 Br12 O12 -","1","0.5","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100899","12.215","0.011","10.101","0.007","15.761","0.018","90","","104.25","0.04","90","","1885","3","296.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 N4 -","- C46 H44 N4 -","- C92 H88 N8 -","2","0.5","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of DM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100900","22.864","0.0011","20.6713","0.001","9.9936","0.0005","90","","90","","90","","4723.3","0.4","93.1","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C58 H58 Cl2 N4 -","- C58 H58 Cl2 N4 -","- C232 H232 Cl8 N16 -","4","0.5","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of RDM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100901","23.641","0.012","7.22","0.003","41.687","0.019","90","","91.97","0.03","90","","7111","6","93.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 N4 -","- C46 H46 N4 -","- C368 H368 N32 -","8","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HDM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100902","8.0043","0.0016","9.5872","0.0018","14.335","0.003","72.281","0.012","74.376","0.013","66.928","0.012","949.8","0.3","93.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H36 N4 -","- C54 H36 N4 -","- C54 H36 N4 -","1","0.5","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of AM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100903","10.093","0.008","11.144","0.011","14.14","0.02","112.39","0.04","107.69","0.04","94.44","0.07","1367","3","243.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H55 Cl3 N4 -","- C72 H52 Cl3 N4 -","- C72 H52 Cl3 N4 -","1","0.5","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of AM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100904","11.562","0.012","13.764","0.013","15.698","0.014","81.07","0.03","71.43","0.03","74.45","0.03","2275","4","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H43 Cl N4 -","- C60 H43 Cl N4 -","- C120 H86 Cl2 N8 -","2","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100905","11.117","0.004","11.994","0.004","16.478","0.006","105.004","0.009","105.838","0.009","103.723","0.009","1926.4","1.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H62 N P2 Si2 Ti -","- C34 H62 N P2 Si2 Ti -","- C68 H124 N2 P4 Si4 Ti2 -","2","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100906","14.3901","0.0016","11.8551","0.0012","24.779","0.003","90","","94.75","0.003","90","","4212.6","0.8","126","2","126","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H62 F3 N O3 P2 S Si Ti -","- C36.56 H50 F3 N O3 P2 S Si Ti -","- C146.24 H200 F12 N4 O12 P8 S4 Si4 Ti4 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100907","11.6879","0.0015","15.034","0.0019","11.9212","0.0015","90","","94.886","0.003","90","","2087.1","0.5","124","2","124","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C40 H70 N O P2 Ti -","- C40 H70 N O P2 Ti -","- C80 H140 N2 O2 P4 Ti2 -","2","0.5","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178755","2020-10-21","18:00:00",""
"4100908","11.7766","0.0019","14.767","0.002","20.442","0.003","90","","95.003","0.005","90","","3541.3","0.9","126","2","126","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 N P2 Ti -","- C37 H55 N P2 Ti -","- C148 H220 N4 P8 Ti4 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100909","9.2775","0.0007","10.3554","0.0008","13.6763","0.0008","85.718","0.004","73.325","0.004","83.745","0.004","1249.87","0.15","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C60 H56 N4 O8 -","2","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100910","6.7922","0.0019","11.267","0.003","21.832","0.006","90","","90","","90","","1670.8","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl N2 O4 -","- C19 H15 Cl N2 O4 -","- C76 H60 Cl4 N8 O16 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100911","12.3651","0.0013","18.94","0.002","27.123","0.003","90","","90","","90","","6352","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-Aib-betaPhe-Leu-Phe-Val-OMe","","","- C60 H88 N8 O11 -","- C60 H88 N8 O11 -","- C240 H352 N32 O44 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100912","13.7261","0.0018","15.372","0.002","17.492","0.002","90","","101.285","0.003","90","","3619.3","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc-Aib-Gpn-Aib-Gpn-OMe","","","- C32 H56 N4 O7 -","- C32 H56 N4 O7 -","- C128 H224 N16 O28 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100913","8.4098","0.0013","9.8271","0.0015","14.997","0.002","101.406","0.003","90.749","0.003","114.735","0.003","1097.1","0.3","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C8 H9 Cl3 N O -","- C9 Cl3 N O -","- C36 Cl12 N4 O4 -","4","4","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100914","12.044","0.003","6.1019","0.0013","22.074","0.005","90","","97.882","0.006","90","","1607","0.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl2 N O2 -","- C16 H18 Cl2 N O4 -","- C64 H72 Cl8 N4 O16 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100915","16.6116","0.0008","17.7273","0.0009","20.1493","0.001","109.671","0.001","100.258","0.001","104.903","0.001","5165.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C119 H146 N16 O3 Si3 -","- C119 H146 N16 O3 Si3 -","- C238 H292 N32 O6 Si6 -","2","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100916","16.697","0.004","11.156","0.002","17.32","0.004","90","","107.592","0.004","90","","3075","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H59 B Ni P2 -","- C30 H59 B Ni P2 -","- C120 H236 B4 Ni4 P8 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100917","9.704","0.002","15.282","0.004","15.492","0.004","102.588","0.005","96.823","0.005","90.702","0.005","2224.7","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H87 B Ni2 P4 -","- C36 H87 B Ni2 P4 -","- C72 H174 B2 Ni4 P8 -","2","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100918","12.248","0.003","20.021","0.005","21.114","0.005","90","","93.695","0.005","90","","5167","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H74 Cl2 Cu2 P6 -","- C49 H74 Cl2 Cu2 P6 -","- C196 H296 Cl8 Cu8 P24 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100919","11.3063","0.0011","17.3023","0.0016","19.9594","0.0019","82.727","0.002","81.199","0.002","79","0.002","3768.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H50.5 B0.5 Cu N1.5 P3 -","- C39 H50.5 B0.5 Cu N1.5 P3 -","- C156 H202 B2 Cu4 N6 P12 -","4","2","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100920","11.8917","0.0016","12.1007","0.0017","42.69","0.006","90","","91.634","0.003","90","","6140.5","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H74 Cl2 Cu2 F12 P6 Sb2 -","- C39.1096 H59.0192 Cl1.4192 Cu1.6 F9.6 P4.8 Sb1.6 -","- C195.548 H295.096 Cl7.096 Cu8 F48 P24 Sb8 -","5","1.25","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100921","10.9458","0.0004","10.9458","0.0004","10.9458","0.0004","90","","90","","90","","1311.42","0.08","25","2","25","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100922","10.9474","0.0004","10.9474","0.0004","10.9474","0.0004","90","","90","","90","","1312","0.08","50","2","50","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100923","10.9461","0.0001","10.9461","0.0001","10.9461","0.0001","90","","90","","90","","1311.53","0.02","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100924","10.9421","0.0001","10.9421","0.0001","10.9421","0.0001","90","","90","","90","","1310.09","0.02","150","2","150","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100925","10.938","0.0002","10.938","0.0002","10.938","0.0002","90","","90","","90","","1308.62","0.04","225","2","225","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100926","10.929","0.0002","10.929","0.0002","10.929","0.0002","90","","90","","90","","1305.39","0.04","300","2","300","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100927","10.9228","0.0002","10.9228","0.0002","10.9228","0.0002","90","","90","","90","","1303.17","0.04","375","2","375","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate","","","- C6 Cd N6 Pt -","- C6 Cd N6 Pt -","- C24 Cd4 N24 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100928","10.9516","0.0001","10.9516","0.0001","10.9516","0.0001","90","","90","","90","","1313.51","0.02","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","cadmium hexacyanoplatinate dihydrate","","","- C6 H4 Cd N6 O2 Pt -","- C6 Cd N6 O2 Pt -","- C24 Cd4 N24 O8 Pt4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100929","10.5234","0.0003","10.5234","0.0003","10.5234","0.0003","90","","90","","90","","1165.38","0.06","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate","","","- C6 N6 Pt Zn -","- C6 N6 Pt Zn -","- C24 N24 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100930","10.522","0.0003","10.522","0.0003","10.522","0.0003","90","","90","","90","","1164.92","0.06","150","2","150","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate","","","- C6 N6 Pt Zn -","- C6 N6 Pt Zn -","- C24 N24 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100931","10.5241","0.0005","10.5241","0.0005","10.5241","0.0005","90","","90","","90","","1165.61","0.1","225","2","225","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate","","","- C6 N6 Pt Zn -","- C6 N6 Pt Zn -","- C24 N24 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100932","10.5186","0.0007","10.5186","0.0007","10.5186","0.0007","90","","90","","90","","1163.79","0.13","300","2","300","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate","","","- C6 N6 Pt Zn -","- C6 N6 Pt Zn -","- C24 N24 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100933","10.5104","0.0006","10.5104","0.0006","10.5104","0.0006","90","","90","","90","","1161.07","0.11","375","2","375","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate","","","- C6 N6 Pt Zn -","- C6 N6 Pt Zn -","- C24 N24 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100934","10.5467","0.0004","10.5467","0.0004","10.5467","0.0004","90","","90","","90","","1173.14","0.08","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","zinc hexacyanoplatinate dihydrate","","","- C6 H4 N6 O2 Pt Zn -","- C6 N6 O2 Pt Zn -","- C24 N24 O8 Pt4 Zn4 -","4","0.0208333","","Goodwin, Andrew L.; Chapman, Karena W.; Kepert, Cameron J.","Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Zn, Cd)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100935","24.876","0.006","7.3861","0.0018","3.7573","0.0009","90","","96.848","0.003","90","","685.4","0.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","1,3-Bis(m-nitrophenyl)urea","","","- C13 H12 N4 O6 -","- C13 H12 N4 O6 -","- C26 H24 N8 O12 -","2","0.5","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178755","2020-10-21","18:00:00",""
"4100936","26.969","0.005","26.417","0.005","24.926","0.005","90","","117.095","0.005","90","","15809","5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C224 H208 Au16 F48 N8 P24 S16 -","- C224 H208 Au16 F48 N8 P24 S16 -","- C448 H416 Au32 F96 N16 P48 S32 -","2","1","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100937","20.051","0.013","18.123","0.011","20.631","0.011","90","","92.453","0.019","90","","7490","8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H75 B F21 N3 Ti -","- C77 H75 B F21 N3 Ti -","- C308 H300 B4 F84 N12 Ti4 -","4","1","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100938","13.314","0.003","18.463","0.004","19.131","0.004","94.549","0.006","96.44","0.006","106.337","0.006","4453.9","1.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H103 B F21 N4 Ti -","- C98 H96 B F21 N4 Ti -","- C196 H192 B2 F42 N8 Ti2 -","2","1","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100939","12.8349","0.0008","16.5869","0.0009","18.4167","0.001","93.494","0.002","101.466","0.002","97.616","0.002","3793.2","0.4","126","2","126","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H80 B F20 N3 Ti -","- C85 H80 B F20 N3 Ti -","- C170 H160 B2 F40 N6 Ti2 -","2","1","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100940","9.5827","0.0007","11.8653","0.0008","12.0329","0.0007","65.548","0.002","67.047","0.002","89.489","0.002","1127.7","0.13","126","2","126","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 N2 O -","- C30 H26 N2 O -","- C60 H52 N4 O2 -","2","1","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100941","5.5199","0.0009","5.6912","0.001","13.456","0.002","83.015","0.003","85.442","0.003","79.488","0.003","411.82","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cu3 Mo2 N2 O10 -","- C10 H10 Cu3 Mo2 N2 O10 -","- C10 H10 Cu3 Mo2 N2 O10 -","1","0.5","","Shores, M. P.; Bartlett, B. M.; Nocera, D. G.","Spin-Frustrated Organic-Inorganic Hybrids of Lindgrenite","Journal of the American Chemical Society","2005","127","51","17986","17987","10.1021/ja056666g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133685","2020-10-21","18:00:00",""
"4100942","5.6757","0.0015","5.7121","0.0015","9.447","0.002","95.284","0.005","91.557","0.005","100.248","0.005","299.82","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H12 Cu3 Mo2 N2 O10 -","- C4 H12 Cu3 Mo2 N2 O10 -","- C4 H12 Cu3 Mo2 N2 O10 -","1","0.5","","Shores, M. P.; Bartlett, B. M.; Nocera, D. G.","Spin-Frustrated Organic-Inorganic Hybrids of Lindgrenite","Journal of the American Chemical Society","2005","127","51","17986","17987","10.1021/ja056666g","","","","","","","","","","","","","","","","","","","","","has coordinates","133685","2020-10-21","18:00:00",""
"4100943","12.434","0.002","16.122","0.003","12.667","0.002","90","","104.923","0.004","90","","2453.6","0.8","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","inv-CB6","","","- C36 H56.4 Cl N24 O21.7 -","- C36 H56.428 Cl N24 O21.714 -","- C72 H112.856 Cl2 N48 O43.428 -","2","1","","Isaacs, Lyle; Park, Sang-Kyu; Liu, Simin; Ko, Young Ho; Selvapalam, Narayanan; Kim, Youngkook; Kim, Hyunuk; Zavalij, Peter Y.; Kim, Ghyung-Hwa; Lee, Heung-Soo; Kim, Kimoon","The Inverted Cucurbit[n]uril Family","Journal of the American Chemical Society","2005","127","51","18000","18001","10.1021/ja056988k","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4100944","32.2","0.005","32.2","0.005","32.581","0.007","90","","90","","120","","29255","8","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","inverted cucurbit[7]uril tetrahydrofuran-clathrate tetradecahydrate","","","- C46 H78 N28 O29 -","- C46 H42 N28 O29.003 -","- C828 H756 N504 O522.054 -","18","1","","Isaacs, Lyle; Park, Sang-Kyu; Liu, Simin; Ko, Young Ho; Selvapalam, Narayanan; Kim, Youngkook; Kim, Hyunuk; Zavalij, Peter Y.; Kim, Ghyung-Hwa; Lee, Heung-Soo; Kim, Kimoon","The Inverted Cucurbit[n]uril Family","Journal of the American Chemical Society","2005","127","51","18000","18001","10.1021/ja056988k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4100945","6.2717","0.0011","9.5873","0.0017","16.319","0.003","95.316","0.002","97.598","0.002","96.233","0.002","961.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Cl4 N2 O6 S2 -","- C38 H36 Cl4 N2 O6 S2 -","- C38 H36 Cl4 N2 O6 S2 -","1","0.5","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100946","10.5502","0.0009","11.3979","0.0009","14.2293","0.0012","96.935","0.001","92.995","0.001","107.64","0.001","1611.5","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H39 B Fe N2 O5 Si -","- C27 H39 B Fe N2 O5 Si -","- C54 H78 B2 Fe2 N4 O10 Si2 -","2","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100947","6.76","0.004","16.787","0.011","32.061","0.016","90","","90","","90","","3638","4","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 B Fe N O3.5 Si -","- C14 H26 B Fe N O3.5 Si -","- C112 H208 B8 Fe8 N8 O28 Si8 -","8","2","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100948","10.4994","0.0011","24.85","0.003","12.3176","0.0014","90","","92.295","0.002","90","","3211.2","0.6","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 B Fe N2 O4 S Si -","- C28 H41 B Fe N2 O4 S Si -","- C112 H164 B4 Fe4 N8 O16 S4 Si4 -","4","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100949","23.5846","0.0012","25.3051","0.0013","23.6723","0.0012","90","","96.364","0.001","90","","14040.8","1.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74.5 H75 Cl2 Cu2 N6 O10.5 P2 -","- C74.5 H75 Cl2 Cu2 N6 O10.5 P2 -","- C596 H600 Cl16 Cu16 N48 O84 P16 -","8","2","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100950","11.4793","0.0009","13.6708","0.0012","15.3099","0.0014","77.122","0.007","73.566","0.007","73.434","0.007","2182.2","0.3","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H41 Cl2 Cu2 N9 O9 -","- C39 H41 Cl2 Cu2 N9 O9 -","- C78 H82 Cl4 Cu4 N18 O18 -","2","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100951","23.398","0.011","9.934","0.004","24.876","0.011","90","0.0017","105.331","0.0019","90","0.0017","5576","4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H84 Si16 -","- C28 H84 Si16 -","- C112 H336 Si64 -","4","0.5","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100952","24.031","0.015","13.01","0.008","17.598","0.011","90","","90","","90","","5502","6","150","2","150","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C28 H84 Cl2 Si16 -","- C28 H84 Cl2 Si16 -","- C112 H336 Cl8 Si64 -","4","","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100953","20.777","0.003","24.988","0.003","26.533","0.003","78.248","0.004","71.263","0.004","79.124","0.004","12658","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H92 O2 Si16 -","- C42 H90.5 O2 Si16 -","- C336 H724 O16 Si128 -","8","4","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100954","24.511","0.005","9.8728","0.0019","23.55","0.005","90","","100.626","0.001","90","","5601.3","1.9","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H86 O Si16 -","- C28 H85 O Si16 -","- C112 H340 O4 Si64 -","4","0.5","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100955","12.986","0.005","14.978","0.006","23.15","0.01","90","","93.82","0.02","90","","4493","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl Mn3 N8 O14 -","- C30 H30 Cl7 Mn3 N6 O14 -","- C120 H120 Cl28 Mn12 N24 O56 -","4","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100956","8.298","0.002","14.819","0.004","8.293","0.002","90","","110.067","0.004","90","","957.8","0.4","118","","118","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 F3 N O4 S -","- C8 H4 F3 N O4 S -","- C32 H16 F12 N4 O16 S4 -","4","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100957","11.4597","0.0016","11.4597","0.0016","12.611","0.003","90","","90","","120","","1434.3","0.4","296","2","296","2","","","","","","","","5","P 32","P 32","145","","","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C60 H66 Cl3 N3 O6 -","3","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100958","17.552","0.004","8.9917","0.0018","15.525","0.003","90","","120.61","0.03","90","","2108.7","0.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H25 Cl N O -","- C23 H25 Cl N O -","- C92 H100 Cl4 N4 O4 -","4","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100959","13.491","0.003","13.557","0.003","15.658","0.003","90","","113.64","0.03","90","","2623.6","0.9","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C63 H64 Cl2 Ir N O2 P2 -","- C63 H64 Cl2 Ir N O2 P2 -","- C126 H128 Cl4 Ir2 N2 O4 P4 -","2","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178755","2020-10-21","18:00:00",""
"4100960","9.654","0.009","8.269","0.005","15.48","0.01","90","","95.24","0.03","90","","1230","1","97.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H28 O4 -","- C31 H28 O4 -","- C62 H56 O8 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100961","15.5782","0.0016","13.5247","0.0011","13.0531","0.0009","116.249","0.003","79.374","0.006","95.966","0.004","2423.5","0.4","253","2","253","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H36 F9 N2 O5 P2 Re S -","- C51 H36 F9 N2 O5 P2 Re S -","- C102 H72 F18 N4 O10 P4 Re2 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100962","11.752","0.002","14.508","0.003","15.376","0.003","95.28","0.02","112.434","0.01","104.879","0.016","2288.4","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H70 Cl6 P2 Ru S -","- C39 H70 Cl6 P2 Ru S -","- C78 H140 Cl12 P4 Ru2 S2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100963","15.6084","0.0001","14.6474","0.0001","16.0669","0.0001","90","","100.084","0.003","90","","3616.51","0.04","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H53 Br Ir N P2 -","- C39 H53 Br Ir N P2 -","- C156 H212 Br4 Ir4 N4 P8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100964","20.5018","0.001","7.197","0.0003","22.9054","0.0011","90","","112.826","0.002","90","","3115","0.2","90","0.2","90","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 Cl Ir N P2 -","- C32 H44 Cl Ir N P2 -","- C128 H176 Cl4 Ir4 N4 P8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178755","2020-10-21","18:00:00",""
"4100965","14.1133","0.001","24.338","0.002","13.773","0.0006","90","","118.09","0.004","90","","4173.6","0.5","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 N4 O4 -","- C47 H56 N4 O4 -","- C188 H224 N16 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100966","25.5931","0.0012","10.2487","0.0005","27.0553","0.0013","90","","91.349","0.002","90","","7094.5","0.6","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36.5 H28 Cl Co N6 O7 -","- C36 H27 Co N6 O7 -","- C288 H216 Co8 N48 O56 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100967","12.7158","0.0007","20.4866","0.0011","13.567","0.0007","90","","104.497","0.002","90","","3421.7","0.3","130","2","130","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C23 H52 F3 N3 O3 P2 Ru S Si2 -","- C23 H52 F3 N3 O3 P2 Ru S Si2 -","- C92 H208 F12 N12 O12 P8 Ru4 S4 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100968","42.83","0.02","9.935","0.005","20.393","0.012","90","","99.994","0.01","90","","8546","8","173","1","173","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H66 N3 O2.5 Si Y -","- C44 H66 N3 O2.5 Si Y -","- C352 H528 N24 O20 Si8 Y8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100969","8.8524","0.0013","11.2198","0.0017","17.538","0.003","90","","100.444","0.003","90","","1713","0.4","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl N2 -","- C17 H23 Cl N2 -","- C68 H92 Cl4 N8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100970","17.097","0.002","9.395","0.0013","18.607","0.003","90","","90","","90","","2988.9","0.7","173","1","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H19 Cl N2 -","- C15 H19 Cl N2 -","- C120 H152 Cl8 N16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100971","10.222","0.003","12.534","0.004","22.541","0.007","90","","93.281","0.011","90","","2883.2","1.5","200","2","200","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[bmim]OTf","","","- C9 H15 F3 N2 O3 S -","- C9 H15 F3 N2 O3 S -","- C72 H120 F24 N16 O24 S8 -","8","2","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100972","8.774","0.005","8.944","0.01","9.032","0.006","95.949","0.016","114.93","0.013","103.01","0.03","610.2","0.8","183","2","183","2","","","","","","","","5","P -1","-P 1","2","[bmim]PF6","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C16 H30 F12 N4 P2 -","2","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100973","8.3947","0.0011","13.0106","0.0016","16.582","0.002","90","","90","","90","","1811.1","0.4","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 F6 N2 O4 S2 -","- C11 H20 F6 N2 O4 S2 -","- C44 H80 F24 N8 O16 S8 -","4","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100974","8.7618","0.0001","9.3961","0.0001","11.4246","0.0002","90","","98.72","0.001","90","","929.68","0.02","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[emim]BF4","","","- C6 H11 B F4 N2 -","- C6 H11 B F4 N2 -","- C24 H44 B4 F16 N8 -","4","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100975","8.7916","0.0016","12.911","0.002","18.341","0.003","71.969","0.003","83.335","0.002","88.815","0.002","1966","0.6","125","2","125","0.2","","","","","","","","6","P -1","-P 1","2","[nhexpy]NTF2","","","- C13 H18 F6 N2 O4 S2 -","- C13 H18 F6 N2 O4 S2 -","- C52 H72 F24 N8 O16 S8 -","4","2","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100976","19.476","0.004","20.192","0.004","18.567","0.004","90","","90","","90","","7302","3","233","2","233","2","","","","","","","","5","P n n m","-P 2 2n","58","CB10 @ bis-diammonium tetraidodide hydrate","","","- C94 H167.87 I4 N54 O54.94 -","- C94 H102 I4 N54 O54.9 -","- C188 H204 I8 N108 O109.8 -","2","0.25","","Liu, Simin; Zavalij, Peter Y.; Isaacs, Lyle","Cucurbit[10]uril.","Journal of the American Chemical Society","2005","127","48","16798","16799","10.1021/ja056287n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100977","9.0317","0.0018","11.364","0.002","11.424","0.002","60.35","0.004","85.599","0.004","84.724","0.004","1014","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1:1 Co-crystal of Aspirin and Carbamazepine","","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C48 H40 N4 O10 -","2","1","","Jennifer A. McMahon; Peddy Vishweshwar; Matthew L. Peterson; Michael J. Zaworotko","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100978","12.095","0.007","6.491","0.004","11.323","0.006","90","","111.509","0.009","90","","827.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Form-II of Aspirin","","","- C9 H8 N0 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100979","19.3272","0.0007","11.686","0.0005","16.089","0.0006","90","","92.63","0.001","90","","3630","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Br2 N2 O4 -","- C44 H40 Br2 N2 O4 -","- C176 H160 Br8 N8 O16 -","4","1","","Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100980","6.5925","0.0001","10.6552","0.0001","21.296","0.0002","90","","90","","90","","1495.93","0.03","273","2","273","2","","","","","","","","6","P n m a","-P 2ac 2n","62","4-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-morpholin-4-ium; tetrafluoro borate","","","- C10 H17 B F4 N4 O3 -","- C10 H17 B F4.01 N4 O3 -","- C40 H68 B4 F16.04 N16 O12 -","4","0.5","","Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100981","10.258","0.002","9.2156","0.0018","14.158","0.005","90","","125.93","0.02","90","","1083.8","0.5","295","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-Dimethoxy-6-morpholin-4-yl-[1,3,5]triazine","","","- C9 H14 N4 O3 -","- C9 H14 N4 O3 -","- C36 H56 N16 O12 -","4","1","","Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100982","6.7509","0.0004","14.9157","0.0008","26.1982","0.0013","90","","92.038","0.002","90","","2636.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O10 P2 W2 -","- C22 H16 O10 P2 W2 -","- C88 H64 O40 P8 W8 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100983","9.0413","0.0001","21.6707","0.0003","17.8474","0.0003","90","","111.977","0.0005","90","","3242.75","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Mo2 O10 P2 -","- C32 H20 Mo2 O10 P2 -","- C128 H80 Mo8 O40 P8 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100984","8.0153","0.0003","10.6946","0.0004","22.3651","0.0005","88.441","0.002","83.323","0.002","79.194","0.001","1870.34","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H20 O10 P2 W2 -","- C38 H20 O10 P2 W2 -","- C76 H40 O20 P4 W4 -","2","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100985","10.4762","0.0001","11.3603","0.0001","14.8964","0.0001","103.56","0.0004","99.8561","0.0005","103.982","0.0004","1622.87","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H18 O10 P2 W2 -","- C32 H18 O10 P2 W2 -","- C64 H36 O20 P4 W4 -","2","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100986","9.2748","0.0004","12.066","0.0006","15.2717","0.0006","90.529","0.002","98.06","0.001","104.808","0.002","1634.16","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 Mo2 O10 P2 -","- C32 H16 Mo2 O10 P2 -","- C64 H32 Mo4 O20 P4 -","2","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100987","9.2488","0.0001","10.0296","0.0001","10.8435","0.0002","110.043","0.0009","95.2573","0.001","105.2","0.0008","893.42","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Mn O2 P -","- C21 H16 Mn O2 P -","- C42 H32 Mn2 O4 P2 -","2","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100988","14.244","0.007","19.825","0.01","19.945","0.01","90","","90","","90","","5632","5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C62 H65 Cl2 Fe2 N2 Ni O8 P3 -","- C62 H65 Cl2 Fe2 N2 Ni O8 P3 -","- C248 H260 Cl8 Fe8 N8 Ni4 O32 P12 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100989","14.8165","0.0012","19.7066","0.0015","19.9451","0.0015","90","","90","","90","","5823.6","0.8","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C64 H69 Cl2 Fe2 N2 Ni O8 P3 -","- C64 H64 Cl2 Fe2 N2 Ni O8 P3 -","- C256 H256 Cl8 Fe8 N8 Ni4 O32 P12 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100990","8.9815","0.0006","15.1441","0.0011","19.2553","0.0014","90","","90","","90","","2619","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 Cl N2 P Pd -","- C26 H40 Cl N2 P Pd -","- C104 H160 Cl4 N8 P4 Pd4 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100991","11.44","0.002","16.326","0.003","41.174","0.008","90","","90","","90","","7690","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C88 H116 Cl2 N4 P2 Pd2 -","- C88 H116 Cl2 N4 P2 Pd2 -","- C352 H464 Cl8 N16 P8 Pd8 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100992","10.433","0.002","14.876","0.003","23.811","0.004","90","","90","","90","","3695.6","1.2","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Rh -","- C20 H31 Rh -","- C160 H248 Rh8 -","8","1","","Thomas Cadenbach; Christian Gemel; Rochus Schmid; Roland Fischer","Mechanistic Insights into an Unprecedented C-C Bond...","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100993","9.086","0.002","18.853","0.005","28.918","0.011","90","","94.18","0.03","90","","4940","3","101","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Ga Rh -","- C27 H38 Ga Rh -","- C216 H304 Ga8 Rh8 -","8","2","","Thomas Cadenbach; Christian Gemel; Rochus Schmid; Roland Fischer","Mechanistic Insights into an Unprecedented C-C Bond...","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100995","5.94","0.01","10.564","0.004","25.499","0.003","90","","90","","90","","1599","3","97.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 I O5 -","- C14 H19 I O5 -","- C56 H76 I4 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100996","9.7103","0.0019","23.907","0.005","20.636","0.004","90","","102.67","0.03","90","","4674.1","1.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C119 H94 O P4 Pd2 -","- C119 H94 O P4 Pd2 -","- C238 H188 O2 P8 Pd4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja045533c","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100997","16.3553","0.0012","19.5546","0.0014","13.4403","0.001","90","","126.865","0.001","90","","3439","0.4","193","2","193","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","holjs30","","","- C72 H82 Fe2 N6 -","- C72 H82 Fe2 N6 -","- C144 H164 Fe4 N12 -","2","0.25","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100998","12.7937","0.0012","17.3151","0.0016","12.9685","0.0012","90","","101.737","0.001","90","","2812.8","0.5","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holjv41","","","- C58 H82 Fe2 N6 -","- C58 H82 Fe2 N6 -","- C116 H164 Fe4 N12 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100999","13.363","0.004","21.255","0.006","29.433","0.008","90","","96.299","0.004","90","","8310","4","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C86 H132 Fe2 N8 -","- C86 H132 Fe2 N8 -","- C344 H528 Fe8 N32 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4101000","13.5361","0.0019","29.694","0.004","22.447","0.003","90","","94.282","0.003","90","","8997","2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","holjs72a","","","- C92 H142 Fe2 N8 O -","- C92 H132 Fe2 N8 O -","- C368 H528 Fe8 N32 O4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101001","13.8051","0.0009","13.995","0.0009","16.1895","0.001","90","","91.155","0.001","90","","3127.2","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Fe N2 -","- C35 H47 Fe N2 -","- C140 H188 Fe4 N8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101002","12.226","0.002","13.316","0.003","14.41","0.003","91.312","0.003","98.647","0.003","114.896","0.002","2094","0.7","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H56 Fe N2 P -","- C47 H56 Fe N2 P -","- C94 H112 Fe2 N4 P2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101003","14.0433","0.0009","21.5586","0.0013","10.1035","0.0006","90","","90","","90","","3058.9","0.3","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H41 Fe N2 O3 -","- C32 H41 Fe N2 O3 -","- C128 H164 Fe4 N8 O12 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
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"4101015","11.318","0.005","12.903","0.006","19.536","0.008","90","","90","","90","","2853","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 I N O5 Si -","- C25 H42 I N O5 Si -","- C100 H168 I4 N4 O20 Si4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0547477","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101016","21.478","0.006","8.597","0.002","36.446","0.01","90","","94.718","0.005","90","","6707","3","163","2","163","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H88 I N O15 Si -","- C57 H88 I N O15 Si -","- C228 H352 I4 N4 O60 Si4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054748z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
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"4101023","16.478","0.01","26.693","0.01","52.329","0.01","90","","94.046","0.01","90","","22959","17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H94 Ag5 F12 N9 P8 S6 -","- C98 H78 Ag5 F12 N9 P8 S6 -","- C784 H624 Ag40 F96 N72 P64 S48 -","8","2","","Lorenzo Barbieri; Claudia Graiff; Lisa Elviri; Maurizio Lanfranchi; Roberto Pattacini; Alessandro Stercoli; Antonio Tiripicchio","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0554110","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101024","15.701","0.007","13.75","0.005","17.964","0.006","90","","98.935","0.009","90","","3831","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C66 H68 Ag4 F6 N6 O7 P4 S6 -","- C66 H60 Ag4 F6 N6 O7 P4 S6 -","- C132 H120 Ag8 F12 N12 O14 P8 S12 -","2","0.5","","Lorenzo Barbieri; Claudia Graiff; Lisa Elviri; Maurizio Lanfranchi; Roberto Pattacini; Alessandro Stercoli; Antonio Tiripicchio","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0554110","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101025","11.6168","0.001","13.0844","0.0011","13.6744","0.0014","101.843","0.003","97.06","0.003","91.771","0.003","2015.5","0.3","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C33 H26 Cl10 N6 O2 Ru -","- C33 H26 Cl10 N6 O2 Ru -","- C66 H52 Cl20 N12 O4 Ru2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055523r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101026","16.08","0.002","11.4124","0.0015","15.735","0.002","90","","105.406","0.003","90","","2783.7","0.7","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 N4 O2 Ru S3 -","- C31 H26 N4 O2 Ru S3 -","- C124 H104 N16 O8 Ru4 S12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055523r","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101027","16.8289","0.0016","12.6197","0.0016","13.8203","0.0015","90","","94.394","0.006","90","","2926.5","0.6","143","1","143","1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C35 H30 Cl N7 O3.5 Ru -","- C33.057 H26.09 Cl N6.0285 O3.5 Ru -","- C132.228 H104.36 Cl4 N24.114 O14 Ru4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055523r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101028","11.1733","0.0004","6.7391","0.0003","9.7645","0.0003","90","","111.347","0.002","90","","684.8","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co-N3-Dpg-Square","","","- C12 H12 Co N8 O2 -","- C12 H12 Co N8 O2 -","- C24 H24 Co2 N16 O4 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055725n","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101029","10.6544","0.0002","13.4568","0.0004","13.4163","0.0003","90","","106.056","0.001","90","","1848.52","0.08","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Co-N3-Bpg-Honeycomb","","","- C14 H18 Co N8 O3 S -","- C14 H10 Co N8 O3 S -","- C56 H40 Co4 N32 O12 S4 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055725n","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101030","13.5054","0.0002","19.815","0.0003","11.6353","0.0002","90","","96.5779","0.0007","90","","3093.22","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co-N3-Bpg-Kagome","","","- C48 H64 Co3 N28 O10 -","- C48 H54 Co3 N28 O10 -","- C96 H108 Co6 N56 O20 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055725n","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101031","19.939","0.0014","15.3384","0.0011","19.9882","0.0014","90","","107.762","0.001","90","","5821.6","0.7","136","2","136","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H70 B2 F8 O4 P2 Pd -","- C58 H82 B2 F8 O6 P2 Pd2 -","- C232 H328 B8 F32 O24 P8 Pd8 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0558995","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101032","9.353","0.0006","10.7036","0.0007","35.701","0.002","90","","92.368","0.001","90","","3571","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 N O3 Ru -","- C46 H37 N O3 Ru -","- C184 H148 N4 O12 Ru4 -","4","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101033","38.035","0.003","10.1353","0.0009","20.3079","0.0018","90","","103.913","0.001","90","","7599","1.2","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","MoH(tBu(H)C=NAr)(N[Np]Ar)3","","","- C39 H60 Mo N3 -","- C39 H60 Mo N3 -","- C312 H480 Mo8 N24 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101034","10.085","0.002","31.275","0.007","12.676","0.003","90","","102.704","0.004","90","","3900.4","1.4","173","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NMo(N[Np]Ar)3","","","- C39 H60 Mo N4 -","- C39 H60 Mo N4 -","- C156 H240 Mo4 N16 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101035","15.8927","0.0008","15.8927","0.0008","14.4775","0.0015","90","","90","","120","","3166.8","0.4","183","2","193","2","","","","","","","","6","P -3","-P 3","147","[Na(THF)3)][NNb(N[Np]Ar)3]","","","- C51 H84 N4 Na Nb O3 -","- C51 H84 N4 Na Nb O3 -","- C102 H168 N8 Na2 Nb2 O6 -","2","0.333333","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101036","15.078","0.003","13.465","0.002","19.827","0.003","90","","92.02","0.005","90","","4022.9","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(tBu(O)CN)Nb(N[t-Bu]Ar)3","","","- C41 H63 N4 Nb O -","- C41 H63 N4 Nb O -","- C164 H252 N16 Nb4 O4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101037","12.5745","0.0019","19.634","0.003","17.226","0.003","90","","109.859","0.002","90","","4000","1","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","INb(N[Np]Ar)3","","","- C39 H60 I N3 Nb -","- C39 H60 I N3 Nb -","- C156 H240 I4 N12 Nb4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101038","10.704","0.0005","11.6133","0.0004","18.1727","0.0008","79.472","0.001","75.265","0.001","75.909","0.001","2101.35","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(OTf)Nb(N[Np]Ar)3","","","- C40 H60 F3 N3 Nb O3 S -","- C40 H60 F3 N3 Nb O3 S -","- C80 H120 F6 N6 Nb2 O6 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
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"4101040","5.9391","0.0003","8.0487","0.0004","22.2075","0.0016","92.264","0.002","92.001","0.002","90.067","0.004","1060.08","0.11","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056474l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101041","11.2709","0.0007","13.6042","0.0008","34.653","0.002","90","","90","","90","","5313.4","0.6","130","2","133","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C45 H80 B Cu Mo N9 O3 S -","- C45 H80 B Cu Mo N9 O3 S -","- C180 H320 B4 Cu4 Mo4 N36 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056500f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101042","8.62","0.01","10.52","0.01","14.17","0.02","74.53","0.06","71.8","0.06","87.47","0.06","1174","3","123.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H14 Br2 F6 N2 -","- C27 H14 Br2 F6 N2 -","- C54 H28 Br4 F12 N4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056575j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101043","8.52","0.01","10.69","0.01","14","0.02","74.45","0.04","72.42","0.05","85.95","0.04","1171","2","123.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H14 Br2 F6 N2 -","- C27 H14 Br2 F6 N2 -","- C54 H28 Br4 F12 N4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056575j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101044","7.1485","0.0005","10.4318","0.0007","13.3666","0.0009","70.5166","0.0012","89.5578","0.0012","72.002","0.0012","888.65","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","1,1'-bis(1,5-dimethyl-6-oxoverdazyl)ferrocene","","","- C18 H20 Fe N8 O2 -","- C18 H20 Fe N8 O2 -","- C36 H40 Fe2 N16 O4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0566331","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101045","6.8938","0.0008","9.8074","0.0009","13.1773","0.0019","90","","90","","90","","890.92","0.18","293","","293","","","","","","","","","6","P c m a","-P 2ac 2ac","55","","","","- C4 H2 Au2 N4 O Pb -","- C4 H2 Au2 N4 O Pb -","- C16 H8 Au8 N16 O4 Pb4 -","4","0.5","","Katz, Michael J.; Aguilar, Pedro M.; Batchelor, Raymond J.; Bokov, Alexei A.; Ye, Zuo-Guang; Kroeker, Scott; Leznoff, Daniel B.","Structure and Multinuclear MAS NMR of a Highly Birefringent Lead Gold Cyanide Coordination Polymer","Journal of the American Chemical Society","2006","","","","","10.1021/ja0566634","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101046","9.0355","0.0006","12.6226","0.0012","15.0883","0.0011","66.075","0.003","88.306","0.004","85.204","0.003","1567.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H49 N O2 Si4 W -","- C25 H49 N O2 Si4 W -","- C50 H98 N2 O4 Si8 W2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056715p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101047","15.6624","0.0007","9.2361","0.0003","24.696","0.0007","90","","100.937","0.0016","90","","3507.6","0.2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C29 H54 N2 O2 Si4 W -","- C29 H52 N2 O2 Si4 W -","- C116 H208 N8 O8 Si16 W4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056715p","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101048","9.634","0.005","15.725","0.005","14.36","0.005","90","","93.621","0.005","90","","2171.1","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","LCCL02","","","- C26 H23 P S -","- C26 H23 P S -","- C104 H92 P4 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0567182","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101049","9.907","0.005","10.282","0.005","12.655","0.005","90","","105.568","0.005","90","","1241.8","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","LCOF05","","","- C32 H27 P S -","- C32 H27 P S -","- C64 H54 P2 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0567182","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101050","9.256","0.005","12.399","0.005","13.325","0.005","95.791","0.005","109.093","0.005","108.521","0.005","1334","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","LCOF07","","","- C34 H29 P S -","- C34 H29 P S -","- C68 H58 P2 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0567182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101051","10.377","0.005","17.347","0.005","13.471","0.005","90","","91.769","0.005","90","","2423.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LCCL01","","","- C26.5 H24 Au Cl2 P -","- C26.5 H24 Au Cl2 P -","- C106 H96 Au4 Cl8 P4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0567182","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101052","9.035","0.001","9.542","0.003","14.598","0.002","71.62","0.02","78.25","0.01","63.25","0.02","1063.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Au Cl P S2 -","- C21.1 H18 Au Cl P S2 -","- C42.2 H36 Au2 Cl2 P2 S4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0567182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101053","17.5448","0.0003","17.5448","0.0003","15.1596","0.0004","90","","90","","90","","4666.43","0.17","293","2","293","2","","","","","","","","4","I 41","I 4bw","80","","","","- C21 H28 N2 O7 -","- C21 H28 N2 O7 -","- C168 H224 N16 O56 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056762h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101054","22.008","0.0012","8.292","0.0005","22.383","0.0012","90","","93.089","0.001","90","","4078.7","0.4","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 N2 O4 -","- C52 H50 N2 O4 -","- C208 H200 N8 O16 -","4","0.5","","Ilhan, Faysal; Tyson, Daniel; Stasko, Daniel; Kirschbaum, Kristin; Meador, Micheal A.","Twisted, Z-Shaped Perylene Bisimide","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101055","9.5369","0.0008","9.6309","0.0008","18.0131","0.0016","90","","92.128","0.003","90","","1653.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 N2 O2 -","- C23 H14 N2 O2 -","- C92 H56 N8 O8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101056","15.321","0.004","12.9092","0.0018","16.115","0.003","90","","100.554","0.012","90","","3133.4","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 N -","- C23 H15 N -","- C184 H120 N8 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101057","6.771","0.0001","8.8023","0.0002","12.3546","0.0002","99.618","0.001","101.246","0.001","109.982","0.001","656.54","0.02","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Cl Cu N2 O2 -","- C13 H13 Cl Cu N2 O2 -","- C26 H26 Cl2 Cu2 N4 O4 -","2","1","","Patrick Gamez","The Square-planar [CuII(pyrimol)Cl] complex acts as an efficient cytotoxic DNA","Journal of the American Chemical Society","2006","","","","","10.1021/ja056970+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101058","8.584","0.0017","8.759","0.0018","9.785","0.002","78.98","0.03","80.7","0.03","73.04","0.03","686.4","0.2","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C30 H36 O10 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056980a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101059","8.4349","0.0011","10.7308","0.0014","22.018","0.003","90","","99.379","0.002","90","","1966.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H43 Cl4 Cu2 N8 O2 -","- C35 H43 Cl4 Cu2 N8 O2 -","- C70 H86 Cl8 Cu4 N16 O4 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057122h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101060","8.362","0.006","10.55","0.008","22.438","0.016","90","","99.093","0.014","90","","1954","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Cl4 Cu2 N8 -","- C34 H40 Cl4 Cu2 N8 -","- C68 H80 Cl8 Cu4 N16 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057122h","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101061","8.3975","0.0018","10.861","0.002","21.89","0.005","90","","98.34","0.004","90","","1975.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Cl4 Cu2 I2 N8 -","- C34 H40 Cl4 Cu2 I2 N8 -","- C68 H80 Cl8 Cu4 I4 N16 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057122h","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101062","12.7522","0.0005","19.0869","0.0007","35.8127","0.0016","93.306","0.002","91.725","0.003","103.854","0.003","8440.5","0.6","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H134 Ge2 Si14 -","- C60 H134 Ge2 Si14 -","- C240 H536 Ge8 Si56 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057205y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101063","13.2422","0.0003","18.9459","0.0007","18.6788","0.0008","90","","110.506","0.0014","90","","4389.3","0.3","153","2","153","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C66 H144 Ge2 Si14 -","- C66 H144 Ge2 Si14 -","- C132 H288 Ge4 Si28 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057205y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101064","12.4319","0.0007","13.013","0.0008","14.7938","0.0011","85.759","0.005","84.425","0.003","91.478","0.003","2374.1","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","compound 11","","","- C78 H168 Ge2 Si14 -","- C78 H168 Ge2 Si14 -","- C78 H168 Ge2 Si14 -","1","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057205y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101065","8.4403","0.0015","18.274","0.002","9.4574","0.0013","90","","113.178","0.018","90","","1340.9","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H45 Li N2 O Si -","- C27 H45 Li N2 O Si -","- C54 H90 Li2 N4 O2 Si2 -","2","1","","Carsten Strohmann, Christian Daeschlein, Dominik Auer","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057348k","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101066","11.094","0.002","14.299","0.003","18.751","0.007","90","","90","","90","","2974.5","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 Li N3 Si -","- C31 H46 Li N3 Si -","- C124 H184 Li4 N12 Si4 -","4","1","","Carsten Strohmann, Christian Daeschlein, Dominik Auer","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057348k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101067","9.8887","0.0016","29.678","0.003","10.107","0.002","90","","111.35","0.02","90","","2762.6","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Li N3 O Si -","- C26 H44 Li N3 O Si -","- C104 H176 Li4 N12 O4 Si4 -","4","1","","Carsten Strohmann, Christian Daeschlein, Dominik Auer","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057348k","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101068","12.6227","0.0001","17.5519","0.0002","22.3645","0.0003","112.352","0.001","101.418","0.001","93.336","0.001","4442.97","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H96 N4 O2 S24 -","- C74 H96 N4 O2 S24 -","- C148 H192 N8 O4 S48 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057367u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101069","10.1915","0.0002","10.947","0.0003","19.2157","0.0006","84.972","0.002","88.247","0.002","64.993","0.002","1935.33","0.09","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N4 S6 -","- C38 H48 N4 S6 -","- C76 H96 N8 S12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057367u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101070","23.1968","0.0007","23.1968","0.0007","38.961","0.002","90","","90","","90","","20964.4","1.5","163","2","163","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C50.5 H74.75 Cl0.75 N2.5 O4.75 -","- C50.5 H63 Cl0.75 N2.5 O4.75 -","- C808 H1008 Cl12 N40 O76 -","16","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057395c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101071","11.151","0.003","10.043","0.002","23.047","0.005","90","","102.57","0.002","90","","2519.4","1","93.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Mn4 N16 O12 -","- C44 H42 Mn4 N16 O12 -","- C88 H84 Mn8 N32 O24 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0574062","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101072","28.322","0.008","11.093","0.003","20.207","0.006","90","","111.754","0.003","90","","5897","3","118.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 Cl2 Mn4 N14 O18 -","- C46 H46 Cl2 Mn4 N14 O18 -","- C184 H184 Cl8 Mn16 N56 O72 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0574062","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101073","20.76","0.02","11.688","0.007","21.196","0.014","90","","107.884","0.009","90","","4895","7","93.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H47 Br2 Mn4 N10 O8.5 -","- C38 H30 Br2 Mn4 N10 O8.5 -","- C152 H120 Br8 Mn16 N40 O34 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0574062","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101074","14.53","0.003","16.999","0.003","18.44","0.003","90","","90","","90","","4554.4","1.3","93.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 Cl2 Mn4 N12 O14 -","- C40 H36 Cl2 Mn4 N12 O14 -","- C160 H144 Cl8 Mn16 N48 O56 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0574062","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101075","11.345","0.0005","12.3622","0.0009","20.0696","0.0014","76.264","0.003","88.1","0.004","84.895","0.004","2723.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H86 O3 Si8 -","- C41 H86 O3 Si8 -","- C82 H172 O6 Si16 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057596g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101076","24.5669","0.0005","20.9516","0.0006","21.697","0.0004","90","","106.851","0.001","90","","10688.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H86 O3 Si8 -","- C41 H86 O3 Si8 -","- C328 H688 O24 Si64 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057596g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101077","13.5228","0.0007","32.6657","0.0015","12.9221","0.0004","90","","117.158","0.002","90","","5078.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H84 O3 Si8 -","- C40 H84 O3 Si8 -","- C160 H336 O12 Si32 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057596g","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101078","14.0521","0.0014","20.7447","0.0014","21.518","0.002","90","","120.298","0.003","90","","5415.9","0.8","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H86 O3 Si8 -","- C41 H86 O3 Si8 -","- C164 H344 O12 Si32 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057596g","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101079","10.7998","0.0005","16.5382","0.0005","19.1217","0.0008","101.985","0.002","91.09","0.002","107.392","0.003","3176.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H94 O2 Si6 -","- C63 H94 O2 Si6 -","- C126 H188 O4 Si12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057596g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101080","14.318","0.004","10.207","0.003","16.772","0.004","90","","102.725","0.005","90","","2391","1.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H34 N2 O3 S -","- C25 H34 N2 O3 S -","- C100 H136 N8 O12 S4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4101081","10.416","0.0002","14.1614","0.0002","15.02","0.0002","98.182","0.001","99.956","0.001","103.838","0.001","2079.38","0.06","120","1","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H45 Cl2 F6 Fe P3 -","- C45 H45 Cl2 F6 Fe P3 -","- C90 H90 Cl4 F12 Fe2 P6 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057665r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101082","13.5647","0.0002","15.8974","0.0003","27.956","0.0004","88.863","0.001","78.054","0.001","79.31","0.001","5794.53","0.16","120","1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C140.5 H147 Fe3 O1.5 P6 -","- C139.75 H141 Fe3 O1.5 P6 -","- C279.5 H282 Fe6 O3 P12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057665r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101083","14.7336","0.0003","16.8011","0.0003","17.938","0.0003","86.81","0.001","67.92","0.001","82.818","0.001","4082.26","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H96 Fe2 P4 -","- C100 H96 Fe2 P4 -","- C200 H192 Fe4 P8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057665r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101084","11.1235","0.0003","11.9397","0.0003","20.8638","0.0006","98.742","0.002","95.508","0.002","98.512","0.002","2688.62","0.13","120","1","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62.25 H52.5 Cl0.5 Fe N4 P2 -","- C62.25 H52.5 Cl0.5 Fe N4 P2 -","- C124.5 H105 Cl Fe2 N8 P4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057665r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101085","10.7802","0.0004","17.277","0.0007","24.0417","0.0009","90","","95.523","0.001","90","","4457","0.3","159.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H76 Cl N2 P2 Rh -","- C45 H76 Cl N2 P2 Rh -","- C180 H304 Cl4 N8 P8 Rh4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0576684","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101086","12.9821","0.0011","16.2465","0.0019","21.136","0.003","75.414","0.004","87.661","0.005","88.146","0.005","4309.5","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H162 N0 Nb2 O6 P Si6 -","- C72 H162 Nb2 O6 P Si6 -","- C144 H324 Nb4 O12 P2 Si12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057747f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101087","9.536","0.001","10.71","0.002","17.567","0.002","90","","95.48","0.01","90","","1785.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.","Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.","Journal of the American Chemical Society","2006","","","","","10.1021/ja0577600","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101088","31.526","0.003","6.1185","0.0004","16.6372","0.0014","90","","104.54","0.01","90","","3106.4","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C160 H136 N16 O8 -","4","0.5","","Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.","Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.","Journal of the American Chemical Society","2006","","","","","10.1021/ja0577600","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101089","11.559","0.003","13.703","0.004","22","0.005","105.61","0.01","94.59","0.01","95.14","0.01","3322.9","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H65 Cl9 N4 O4 S2 -","- C69 H65 Cl9 N4 O4 S2 -","- C138 H130 Cl18 N8 O8 S4 -","2","1","","Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.","Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.","Journal of the American Chemical Society","2006","","","","","10.1021/ja0577600","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101090","24.26","0.007","6.624","0.002","16.348","0.005","90","","92.55","0.01","90","","2624.5","1.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O S4 -","- C29 H26 N2 O S4 -","- C116 H104 N8 O4 S16 -","4","1","","Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.","Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.","Journal of the American Chemical Society","2006","","","","","10.1021/ja0577600","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101091","9.827","0.001","12.841","0.003","14.572","0.003","105.15","0.01","107.81","0.01","105.96","0.01","1558.7","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H31 N3 O -","- C40 H31 N3 O -","- C80 H62 N6 O2 -","2","1","","Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.","Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.","Journal of the American Chemical Society","2006","","","","","10.1021/ja0577600","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101092","14.359","0.003","13.611","0.002","28.142","0.005","90","","101.815","0.003","90","","5383.6","1.7","141","2","141","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H64 N8 U -","- C66 H64 N8 U -","- C264 H256 N32 U4 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057808+","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101093","25.246","0.004","9.4223","0.0013","44.649","0.006","90","","93.279","0.003","90","","10604","3","141","2","141","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C113 H132 N8 U Yb2 -","- C113 N8 U Yb2 -","- C452 N32 U4 Yb8 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057808+","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101094","8.226","0.003","21.665","0.005","15.256","0.005","90","","99.48","0.08","90","","2681.7","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H40 F6 Fe P4 Si -","- C20 H40 F6 Fe P4 Si -","- C80 H160 F24 Fe4 P16 Si4 -","4","2","","Edwards, Peter G.; Newman, Paul D.","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0578956","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101095","20.252","0.004","8.595","0.002","31.418","0.006","90","","101.56","0.03","90","","5357.9","1.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H76 B2 F8 Fe2 P6 Si4 -","- C38 H76 B2 F8 Fe2 P6 Si4 -","- C152 H304 B8 F32 Fe8 P24 Si16 -","4","1","","Edwards, Peter G.; Newman, Paul D.","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0578956","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101096","10.2959","0.0004","14.3715","0.0005","28.599","0.001","90","","91.094","0.001","90","","4231","0.3","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","SIZ-7","","","- Al19.2 Co12.8 O128 P32 -","- Al19.2 Co12.8 O128 P32 -","- Al19.2 Co12.8 O128 P32 -","1","0.125","","Morris, Russell","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057933l","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101097","17.6481","0.0005","17.6481","0.0005","17.6481","0.0005","90","","90","","90","","5496.6","0.3","100","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C27 H27 Fe N4 O12 -","- C27 H27 Fe N4 O12 -","- C216 H216 Fe8 N32 O96 -","8","0.666667","","Puerta, David T.","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057954f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101098","9.787","0.002","10.556","0.002","17.863","0.004","107.14","0.03","95","0.03","97.81","0.03","1731.3","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H56 In N3 -","- C37 H56 In N3 -","- C74 H112 In2 N6 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057967t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101099","9.6735","0.0019","10.597","0.002","17.818","0.004","107","0.03","95.17","0.03","97.82","0.03","1714.1","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H56 Ga N3 -","- C37 H56 Ga N3 -","- C74 H112 Ga2 N6 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101100","10.565","0.002","30.24","0.006","12.371","0.003","90","","109.05","0.03","90","","3735.9","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H63 N3 Tl -","- C40 H63 N3 Tl -","- C160 H252 N12 Tl4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057967t","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101101","7.8962","0.0015","12.311","0.002","30.247","0.006","90","","90","","90","","2940.2","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C13.3333 H21.3333 O2.66667 -","- C120 H192 O24 -","9","2.25","","Hayashi, Sayuri; Hirano, Koji; Yorimitsu, Hideki; Oshima, Koichiro","Palladium-Catalyzed Stereo- and Regiospecific Allylation of Aryl Halides with Homoallyl Alcohols via Retro-Allylation: Selective Generation and Use of σ-Allylpalladium","Journal of the American Chemical Society","2006","128","7","2210","2211","10.1021/ja058055u","","","","","","","","","","","","","","","","","","","","","has coordinates","133715","2020-10-21","18:00:00",""
"4101102","15.242","0.001","12.5285","0.0008","60.386","0.006","90","","96.158","0.007","90","","11464.6","1.6","130","1","130","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C132 H162 N8 Ni2 O8 -","- C132 H162 N8 Ni2 O8 -","- C528 H648 N32 Ni8 O32 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101103","12.8521","0.0002","13.4583","0.0002","13.5177","0.0002","90","","90","","90","","2338.12","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 F3 N O2 -","- C27 H26 F3 N O2 -","- C108 H104 F12 N4 O8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058287t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101104","7.4972","0.0001","7.9747","0.0001","18.6037","0.0007","90","","90","","90","","1112.28","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Cl N -","- C11 H16 Cl N -","- C44 H64 Cl4 N4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058287t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101105","20.9807","0.0001","11.3507","0.0001","25.4674","0.0002","90","","107.898","0.0003","90","","5771.44","0.07","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 Cl2 Cu2 F12 N4 P5 -","- C54 H51 Cl2 Cu2 F12 N4 P5 -","- C216 H204 Cl8 Cu8 F48 N16 P20 -","4","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178757","2020-10-21","18:00:00",""
"4101106","14.5703","0.0002","15.7547","0.0002","16.3777","0.0002","81.781","0.0005","72.9085","0.0006","86.5873","0.0007","3555.96","0.08","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H48 Cl11 Cu2 F12 N6 P4 -","- C62 H48 Cl10.98 Cu2 F12 N6 P4 -","- C124 H96 Cl21.96 Cu4 F24 N12 P8 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101107","11.8771","0.0003","16.2862","0.0005","18.4991","0.0006","99.8772","0.0013","103.361","0.0012","93.6767","0.0014","3409.72","0.18","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H49 Cl8 Cu2 F12 N4 P5 -","- C61 H49 Cl7.99 Cu2 F12 N4 P5 -","- C122 H98 Cl15.98 Cu4 F24 N8 P10 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101108","15.4965","0.0003","15.6184","0.0004","16.5106","0.0003","97.1936","0.001","99.6936","0.001","98.6028","0.0012","3848.06","0.18","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H56 Cl12 Cu2 F12 N6 P4 -","- C70 H56 Cl12 Cu2 F12 N6 P4 -","- C140 H112 Cl24 Cu4 F24 N12 P8 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101109","11.5631","0.0001","13.1884","0.0001","22.3554","0.0002","84.9123","0.0004","80.6613","0.0004","76.2856","0.0004","3263.59","0.05","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H51 Cl4 Cu2 F12 N4 P5 -","- C67 H51 Cl4 Cu2 F12 N4 P5 -","- C134 H102 Cl8 Cu4 F24 N8 P10 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101110","12.9509","0.0005","16.0253","0.0008","17.0867","0.0009","84.578","0.002","86.377","0.002","77.343","0.002","3441.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C134 H116 Cl12 Cu4 F24 N12 P8 -","- C134 H116 Cl12 Cu4 F24 N12 P8 -","- C134 H116 Cl12 Cu4 F24 N12 P8 -","1","0.5","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101111","21.0805","0.0008","24.3424","0.001","28.0284","0.0012","90","","106.742","0.0023","90","","13773.1","1","120","2","120","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C135 H112 Cl10 Cu4 F24 N8 P10 -","- C135 H112 Cl10 Cu4 F24 N8 P10 -","- C540 H448 Cl40 Cu16 F96 N32 P40 -","4","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","287954","2023-12-03","21:24:06",""
"4101112","13.525","0.011","19.33","0.02","20.169","0.016","104.45","0.03","107.66","0.02","103.88","0.03","4571","7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C77.5 H64 Cl13 Cu2 F12 N6 P4 -","- C77.516 H64.036 Cl13.25 Cu2 F12 N6 P4 -","- C155.032 H128.072 Cl26.5 Cu4 F24 N12 P8 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101113","4.7529","0.0003","10.5673","0.0006","11.9098","0.0006","90","","97.908","0.001","90","","592.48","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 N -","- C8 H5 N -","- C32 H20 N4 -","4","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101114","9.9254","0.0012","12.4074","0.0015","17.8883","0.002","98.6909","0.0064","100.221","0.0064","91.7264","0.0067","2139.4","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H40 N5 -","- C60 H40 N5 -","- C120 H80 N10 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101115","10.961","0.004","15.643","0.006","25.006","0.01","99.056","0.006","95.239","0.008","95.683","0.007","4188","3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H17 F39 O2 Sn -","- C31 H17 F39 O2 Sn -","- C124 H68 F156 O8 Sn4 -","4","2","","","A New Strategy for Preparing Molecular Imaging and Therapy Agents Using Fluorine Rich (Fluorous) Soluble Supports","Journal of the American Chemical Society","2006","","","","","10.1021/ja0600375","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101116","28.2132","0.0016","28.2132","0.0016","28.2132","0.0016","90","","90","","90","","22457","2","293","2","293","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C96 H72 Cl1.5 N27 O33 Pd3 -","- C96 H72 Cl1.5 N26.976 O21 Pd3 -","- C384 H288 Cl6 N107.904 O84 Pd12 -","4","0.0833333","","Moon, Dohyun; Kang, Sangmi; Park, Jaejoon; Lee, Kyungjai; John, Rohith P.; Won, Hosik; Seong, Ki Hoon; Kim, Yang Sun; Kim, Ghyung Hwa; Rhee, Hakjune; Lah, Myoung Soo","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060051h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101117","39.1795","0.0019","39.9607","0.0015","39.9519","0.0018","60.638","0.002","60.667","0.001","60.635","0.001","44876","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C216 H192 N48 O24 Pd6 -","- C216 H192 N48 O24 Pd6 -","- C864 H768 N192 O96 Pd24 -","4","2","","Moon, Dohyun; Kang, Sangmi; Park, Jaejoon; Lee, Kyungjai; John, Rohith P.; Won, Hosik; Seong, Ki Hoon; Kim, Yang Sun; Kim, Ghyung Hwa; Rhee, Hakjune; Lah, Myoung Soo","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060051h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101118","7.133","0.003","14.737","0.006","7.681","0.003","90","","90","","90","","807.4","0.6","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Yb4MgGe4","","","- Ge4 Mg0.96 Yb4.04 -","- Ge4 Mg0.956 Yb4.044 -","- Ge16 Mg3.824 Yb16.176 -","4","0.5","","Tobash, Paul H.; Bobev, Svilen","Structure and Bonding in Yb4MgGe4: Yb2+/Yb3+ Mixed-Valency and Charge-Ordering","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601383","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101119","7.101","0.003","14.649","0.006","7.64","0.003","90","","90","","90","","794.6","0.5","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Mg1.24 Yb3.76 -","- Ge4 Mg1.24 Yb3.76 -","- Ge16 Mg4.96 Yb15.04 -","4","0.5","","Tobash, Paul H.; Bobev, Svilen","Structure and Bonding in Yb4MgGe4: Yb2+/Yb3+ Mixed-Valency and Charge-Ordering","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601383","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101120","7.0599","0.0011","14.565","0.002","7.6248","0.0012","90","","90","","90","","784.1","0.2","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Mg1.55 Yb3.45 -","- Ge4 Mg1.558 Yb3.442 -","- Ge16 Mg6.232 Yb13.768 -","4","0.5","","Tobash, Paul H.; Bobev, Svilen","Structure and Bonding in Yb4MgGe4: Yb2+/Yb3+ Mixed-Valency and Charge-Ordering","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601383","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101121","10.2841","0.0007","17.8887","0.0013","14.9131","0.0011","90","","94.67","0.001","90","","2734.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H47 Fe N2 O S3 -","- C20 H47 Fe N2 O S3 -","- C80 H188 Fe4 N8 O4 S12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060186n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178757","2020-10-21","18:00:00",""
"4101122","11.8365","0.001","12.5824","0.0011","5.7587","0.0005","90","","110.07","0.001","90","","805.57","0.12","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8 H18 Fe2 N4 O4 S2 -","- C8 H18 Fe2 N4 O4 S2 -","- C16 H36 Fe4 N8 O8 S4 -","2","0.25","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060186n","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101123","10.0583","0.0003","5.8983","0.0002","15.2143","0.0004","90","","90","","90","","902.62","0.05","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H4 O4 -","- C12 H4 O4 -","- C48 H16 O16 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0602647","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101124","12.4261","0.0003","13.0149","0.0003","17.3641","0.0006","73.4934","0.001","74.3341","0.0012","63.548","0.002","2376.69","0.11","103","2","103","2","","","","","","","","4","P -1","-P 1","2","2-stannanaphthalene","","","- C40 H74 Si6 Sn -","- C40 H74 Si6 Sn -","- C80 H148 Si12 Sn2 -","2","1","","Yoshiyuki Mizuhata; Takahiro Sasamori; Nobuhiro Takeda; Norihiro Tokitoh","A Stable Neutral Stannaaromatic Compound: Synthesis, Structure and Complexation of a Kinetically Stabilized 2-Stannanaphthalene","Journal of the American Chemical Society","2006","","","","","10.1021/ja057531d","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101125","9.5178","0.0004","13.128","0.0007","22.1764","0.0008","79.6768","0.0018","82.5522","0.0015","82.2722","0.0018","2685.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","2-stannanaphthalene_Cr_complex","","","- C43 H74 Cr O3 Si6 Sn -","- C43 H74 Cr O3 Si6 Sn -","- C86 H148 Cr2 O6 Si12 Sn2 -","2","1","","Yoshiyuki Mizuhata; Takahiro Sasamori; Nobuhiro Takeda; Norihiro Tokitoh","A Stable Neutral Stannaaromatic Compound: Synthesis, Structure and Complexation of a Kinetically Stabilized 2-Stannanaphthalene","Journal of the American Chemical Society","2006","","","","","10.1021/ja057531d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101126","10.024","0.002","12.426","0.003","33.403","0.007","90","","90","","90","","4160.7","1.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O4 -","- C23 H24 Br N O4 -","- C184 H192 Br8 N8 O32 -","8","2","","Cara L. Nygren; Philip Coppens","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057768+","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101127","9.047","0.0005","21.1758","0.0006","13.6531","0.0009","90","","90","","90","","2615.6","0.2","173.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0561082","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101128","13.5842","0.0007","11.6824","0.0006","7.5787","0.0003","90","","94.8997","0.0014","90","","1198.31","0.1","173.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0561082","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101129","7.1779","0.0004","8.0341","0.0001","11.3321","0.0004","107.491","0.0011","90.231","0.005","94.366","0.006","621.23","0.04","173.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C26 H32 O8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0561082","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101130","10.0055","0.0001","27.7679","0.0006","24.2432","0.0006","90","","97.678","0.001","90","","6675.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H85 B2 N5 U -","- C78 H85 B2 N5 U -","- C312 H340 B8 N20 U4 -","4","1","","Maynadié, J.; Berthet, J. C.; Thuéry, P.; Ephritikhine, M.","An Unprecedented Type of Linear Metallocene with an f-Element","Journal of the American Chemical Society","2006","128","4","1082","1083","10.1021/ja057226s","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101131","21.0005","0.0005","19.4352","0.0005","22.9247","0.0003","90","","116.103","0.001","90","","8402.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H52.5 I2 N7.5 U -","- C35 H52.5 I2 N7.5 U -","- C280 H420 I16 N60 U8 -","8","1","","Maynadié, J.; Berthet, J. C.; Thuéry, P.; Ephritikhine, M.","An Unprecedented Type of Linear Metallocene with an f-Element","Journal of the American Chemical Society","2006","128","4","1082","1083","10.1021/ja057226s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101132","3.73","0.003","12.589","0.008","16.7","0.01","90","","94.6","0.02","90","","781.6","1","293.1","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H8 N5 S2 -","- C18 H8 N5 S2 -","- C36 H16 N10 S4 -","2","0.5","","Yoshikatsu Umezono; Wataru Fujita; Kunio Awaga","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057207i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101133","7.212","0.004","13.392","0.008","14.121","0.009","115.484","0.007","101.65","0.007","90.923","0.006","1197.5","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H8 Co N6 S8 -","- C20 H8 Co N6 S8 -","- C40 H16 Co2 N12 S16 -","2","1","","Yoshikatsu Umezono; Wataru Fujita; Kunio Awaga","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057207i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101134","7.0174","0.0017","7.2752","0.0018","12.901","0.004","78.989","0.009","79.253","0.009","70.956","0.008","605.6","0.3","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H8 Co N6 S8 -","- C20 H8 Co N6 S8 -","- C20 H8 Co N6 S8 -","1","0.5","","Yoshikatsu Umezono; Wataru Fujita; Kunio Awaga","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057207i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101135","5.572","0.0004","15.1926","0.001","23.0749","0.0015","90","","93.661","0.001","90","","1949.4","0.2","173","","446","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O3 -","- C26 H22 O3 -","- C104 H88 O12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054144v","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101136","10.769","0.0003","12.4573","0.0005","13.6139","0.0005","92.427","0.002","95.63","0.002","110.941","0.002","1691.58","0.1","90","0.2","90","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Al Br N2 O2 -","- C36 H46 Al Br N2 O2 -","- C72 H92 Al2 Br2 N4 O4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101137","19.338","0.0004","15.3855","0.0003","23.7586","0.0006","90","","103.843","0.0009","90","","6863.4","0.3","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C75.5 H79 Al Br N2 O10 P2 -","- C75.5 H79 Al Br N2 O10 P2 -","- C302 H316 Al4 Br4 N8 O40 P8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101138","18.9792","0.0004","9.7445","0.0002","35.3217","0.0007","90","","90","","90","","6532.5","0.2","90","0.2","90","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32.25 H46 Al Br Cl0.5 N2 O2 -","- C32.25 H46 Al Br Cl0.5 N2 O2 -","- C258 H368 Al8 Br8 Cl4 N16 O16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101139","14.418","0.0002","14.8094","0.0002","17.2404","0.0003","76.0377","0.0006","69.8258","0.0006","85.9439","0.0006","3352.95","0.09","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.5 H49 Al Br Cl N2 O2 -","- C33.5 H49 Al Br Cl N2 O2 -","- C134 H196 Al4 Br4 Cl4 N8 O8 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101140","22.3928","0.0002","22.5503","0.0002","25.8204","0.0003","90","","90","","90","","13038.4","0.2","90","0.2","90","0.2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C76 H86 Al Br N2 O4 P2 -","- C76 H86 Al Br N2 O4 P2 -","- C608 H688 Al8 Br8 N16 O32 P16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178757","2020-10-21","18:00:00",""
"4101141","22.612","0.0003","22.858","0.0003","26.785","0.0004","90","","90","","90","","13844.2","0.3","90","0.2","90","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76.99 H81.7 Al Br N2 O4 P2 -","- C77.215 H81.96 Al Br N2 O4 P2 -","- C617.72 H655.68 Al8 Br8 N16 O32 P16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101142","16.117","0.002","13.657","0.002","25.154","0.003","90","","98.734","0.006","90","","5472.2","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Parquette 1316","","","- C60 H46 Cl3 N13 O6 -","- C60 H46 Cl3 N13 O6 -","- C240 H184 Cl12 N52 O24 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0547228","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101145","10.1148","0.0002","8.9482","0.0002","14.6993","0.0003","90","","99.35","0.001","90","","1312.75","0.05","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 B N O4 S -","- C11 H16 B N O4 S -","- C44 H64 B4 N4 O16 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101146","18.258","0.0004","9.55","0.0003","18.426","0.0007","90","","117.171","0.0011","90","","2858.28","0.15","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 B N O2 -","- C8.5 H9 B0.5 N0.5 O -","- C68 H72 B4 N4 O8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101147","18.258","0.0004","9.55","0.0003","18.426","0.0007","90","","117.171","0.0011","90","","2858.28","0.15","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 B N O2 -","- C8.5 H9 B0.5 N0.5 O -","- C68 H72 B4 N4 O8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101148","9.5572","0.0002","51.067","0.002","10.1724","0.0002","90","","100.822","0.001","90","","4876.4","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H66 B3 N3 O9 -","- C54 H66 B3 N3 O9 -","- C216 H264 B12 N12 O36 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101149","10.0661","0.0002","16.1843","0.0003","9.0642","0.0002","90","","95.744","0.001","90","","1469.26","0.05","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 B N O2 -","- C16 H20 B N O2 -","- C64 H80 B4 N4 O8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101150","33.596","0.002","8.7123","0.0005","14.2628","0.0012","90","","107.395","0.002","90","","3983.8","0.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 B N O4.5 -","- C21 H25 B N O4.5 -","- C168 H200 B8 N8 O36 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101152","29.184","0.003","29.184","0.003","29.184","0.003","90","","90","","90","","24856","4","258","2","258","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","IRMOF-20","","","- C24 H6 O13 S6 Zn4 -","- C24 H6 O13 S6 Zn4 -","- C192 H48 O104 S48 Zn32 -","8","0.0416667","","Jesse L. C. Rowsell; Omar M. Yaghi","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056639q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101153","7.5561","0.0008","17.312","0.002","8.2565","0.0009","90","","96.014","0.009","90","","1074.1","0.2","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H16 S2.75 -","- C28 H16 S2.752 -","- C56 H32 S5.504 -","2","0.5","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0570786","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101154","41.284","0.008","6.462","0.002","21.078","0.005","90","","98.616","0.018","90","","5560","2","293","","293","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C41 H27 -","- C41 H27 -","- C328 H216 -","8","1","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0570786","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101155","27.8621","0.0015","8.0786","0.0004","16.0279","0.0009","90","","116.755","0.005","90","","3221.4","0.3","293","","293","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 -","- C46 H30 -","- C184 H120 -","4","0.5","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","Organization of Acenes with a Cruciform Assembly Motif","Journal of the American Chemical Society","2006","","","","","10.1021/ja0570786","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101156","15.5345","0.0008","15.5352","0.0009","19.5287","0.0008","90.021","0.004","90.022","0.004","90","","4712.9","0.4","293","","293","","","","","","","","","2","P 41","P 4w","76","","","","- C34 H22 -","- C34 H22 -","- C272 H176 -","8","2","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","Organization of Acenes with a Cruciform Assembly Motif","Journal of the American Chemical Society","2006","","","","","10.1021/ja0570786","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101157","6.1995","0.0007","11.0201","0.0013","14.7","0.0015","95.66","0.009","96.6","0.009","104.52","0.01","957.25","0.19","293","","293","","","","","","","","","2","P -1","-P 1","2","","","","- C58 H38 -","- C58 H38 -","- C58 H38 -","1","0.5","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101158","6.435","0.002","12.833","0.005","25.451","0.009","90","","96.176","0.009","90","","2089.7","1.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O2 S -","- C22 H30 N2 O2 S -","- C88 H120 N8 O8 S4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101159","7.8223","0.0002","12.1238","0.0004","13.68","0.0005","79.9835","0.0013","85.0292","0.0012","84.0344","0.0018","1267.55","0.07","130","2","130","2","","","","","","","","5","P -1","-P 1","2","(tBuPCP)PdOOH","","","- C24 H44 O2 P2 Pd -","- C24 H44 O2 P2 Pd -","- C48 H88 O4 P4 Pd2 -","2","1","","Melanie C. Denney; Antonio G. DiPasquale; Karen I. Goldberg","Direct Observation of Insertion of Molecular Oxygen into a Palladium(II) Hydride Bond","Journal of the American Chemical Society","2006","","","","","10.1021/ja0562292","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101160","17.548","0.004","6.819","0.0014","18.261","0.004","90","","115.4","0.03","90","","1973.8","0.7","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl8 Ir2 K2 N6 O2 S2 -","- C22 H26 Cl8 Ir2 K2 N6 O2 S2 -","- C44 H52 Cl16 Ir4 K4 N12 O4 S4 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0565976","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101161","12.242","0.0002","9.6351","0.0002","15.1197","0.0002","90","","104.127","0.0007","90","","1729.48","0.05","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H27 N3 O5 Os -","- C13 H27 N3 O5 Os -","- C52 H108 N12 O20 Os4 -","4","1","","Donohoe, Timothy J.; Chughtai, Majid J.; Klauber, David J.; Griffin, David; Campbell, Andrew D.","N-Sulfonyloxy Carbamates as Reoxidants for the Tethered Aminohydroxylation Reaction","Journal of the American Chemical Society","2006","128","8","2514","2515","10.1021/ja057389g","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4101162","26.583","0.0006","6.453","0.0002","14.3538","0.0003","90","","100.736","0.0011","90","","2419.15","0.11","230","","230","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C104 H120 N8 O32 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057389g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101163","9.7755","0.0002","16.823","0.0004","10.3983","0.0002","90","","104.89","0.001","90","","1652.6","","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H27 N3 O5 Os -","- C13 H27 N3 O5 Os -","- C52 H108 N12 O20 Os4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057389g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101164","12.797","0.003","21.064","0.004","20.183","0.005","90","","91.6","0.01","90","","5439","2","123.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H70 F6 N O4 P -","- C64 H70 F6 N O4 P -","- C256 H280 F24 N4 O16 P4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058066n","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101165","12.717","0.002","12.918","0.003","31.47","0.006","90","","90","","90","","5170.1","1.8","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C59 H48 Cl6 I N -","- C59 H48 Cl6 I N -","- C236 H192 Cl24 I4 N4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058066n","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101166","9.8937","0.0013","10.0629","0.0014","13.0908","0.0018","90","","90","","90","","1303.3","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br O3 -","- C14 H11 Br O3 -","- C56 H44 Br4 O12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058337u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101167","6.3868","0.0001","11.2128","0.0002","13.866","0.0002","90","","90","","90","","993","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058337u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101168","6.106","0.004","13.973","0.006","16.979","0.008","81.21","0.02","87.89","0.02","76.99","0.02","1394","1","123.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C22 H20 Cl O P -","- C22 H20 Cl O P -","- C66 H60 Cl3 O3 P3 -","3","3","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058763f","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101169","11.825","0.003","11.717","0.003","21.291","0.007","90","","100.88","0.01","90","","2896","1","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C74 H52 O3 P3 Rh -","- C74 H68 O3 P3 Rh -","- C148 H136 O6 P6 Rh2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058763f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101170","9.905","0.002","11.443","0.002","18.969","0.004","90","","90","","90","","2150","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O5 S -","- C22 H25 N O5 S -","- C88 H100 N4 O20 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101171","11.436","0.002","11.652","0.002","19.448","0.004","90","","90","","90","","2591.5","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 S -","- C25 H31 N O5 S -","- C100 H124 N4 O20 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101172","8.2347","0.0016","15.6","0.003","9.5307","0.0019","90","","96.28","0.03","90","","1216.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N O5 S -","- C24 H33 N O5 S -","- C48 H66 N2 O10 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101173","8.0643","0.0012","9.0916","0.0013","16.245","0.002","74.529","0.002","85.901","0.002","66.559","0.002","1052.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 N O7 S -","- C20 H25 N O7 S -","- C40 H50 N2 O14 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101174","8.264","0.0017","14.793","0.003","15.532","0.003","90","","90","","90","","1898.8","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O6 S -","- C18 H22 N2 O6 S -","- C72 H88 N8 O24 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101175","6.5673","0.0013","10.51","0.002","57.502","0.012","90","","90","","90","","3968.9","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O6 S -","- C16 H26 N2 O6 S -","- C128 H208 N16 O48 S8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101176","12.41","0","15.272","0.001","10.445","0.001","90","","90","","90","","1980.3","0","273.1","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C13 H27 Cu F3 N3 O3 S -","- C13 H27 Cu F3 N3 O3 S -","- C52 H108 Cu4 F12 N12 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056740v","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101177","29.9887","0.0015","11.6969","0.0006","18.9215","0.001","90","","104.968","0.001","90","","6412","0.6","184","","184","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 B2 Cu2 F8 N4 O2 -","- C20 H50 B2 Cu2 F8 N4 O2 -","- C160 H400 B16 Cu16 F64 N32 O16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056740v","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101178","11.0148","0.0005","14.1617","0.0006","17.5859","0.0008","90","","94.594","0.001","90","","2734.4","0.2","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N2 Pt -","- C32 H34 N2 Pt -","- C128 H136 N8 Pt4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101179","17.091","0.002","16.383","0.0019","22.603","0.003","90","","90","","90","","6328.8","1.3","105","","105","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H36 Cl2 N2 Pt -","- C33 H36 Cl2 N2 Pt -","- C264 H288 Cl16 N16 Pt8 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101180","18.344","0.007","45.211","0.011","14.761","0.007","90","","90","","90","","12242","8","105","","105","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C29 H32 F3 N3 O3 Pt S -","- C29 H32 F3 N3 O3 Pt S -","- C464 H512 F48 N48 O48 Pt16 S16 -","16","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101181","12.6024","0.0015","22.658","0.003","12.0934","0.0014","90","","110.947","0.002","90","","3225","0.7","105","","105","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 F3 N3 O3 Pt S -","- C31 H36 F3 N3 O3 Pt S -","- C124 H144 F12 N12 O12 Pt4 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101182","16.463","0.003","21.11","0.002","18.285","0.004","90","","94.98","0.018","90","","6330.7","2","105","","105","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H78 Cl2 N4 Pt2 -","- C69 H78 Cl2 N4 Pt2 -","- C276 H312 Cl8 N16 Pt8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101183","12.7851","0.0011","12.9026","0.001","19.7686","0.0017","90","","90","","90","","3261","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 O5 P -","- C38 H41 O5 P -","- C152 H164 O20 P4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056018x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101184","12.9631","0.0015","14.1557","0.0016","19.252","0.002","90","","90","","90","","3532.8","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl N O3 -","- C19 H20 Cl N O3 -","- C152 H160 Cl8 N8 O24 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056018x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101185","10.4359","0.001","26.531","0.003","12.5068","0.0012","90","","107.108","0.002","90","","3309.7","0.6","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 Cl N6 O12 S2 Zn -","- C26 H35 Cl N6 O12 S2 Zn -","- C104 H140 Cl4 N24 O48 S8 Zn4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056631g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178757","2020-10-21","18:00:00",""
"4101186","12.221","0.001","12.833","0.002","15.86","0.003","81.03","0.01","83.57","0.02","62.24","0.01","2172","0.6","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 Cl2 Cu2 N8 O10 -","- C40 H42 Cl2 Cu2 N8 O10 -","- C80 H84 Cl4 Cu4 N16 O20 -","2","1","","Takahiro Matsumoto; Masashi Kobino; Masato Tomii; Hideki Hayashi; Furutachi, Hideki; Shigenori Nagatomo; Takehiko Tosha; Takao Osako; Fujinami, Shuhei; Shinobu Itoh; Teizo Kitagawa; Suzuki, Masatastu","Arene Hydroxylation versus Styrene Epoxidation by (m-h2:h2)perpxodicopper(II) Complexes Supported by Dinucleating Ligands","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101187","35.04","0.006","39.364","0.005","11.877","0.002","90","","90","","90","","16382","4","123.2","","","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C37 H43 Cu2 F12 N6 O2.5 P2 -","- C37 H39 Cu2 F12 N6 O2.5 P2 -","- C592 H624 Cu32 F192 N96 O40 P32 -","16","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101188","32.968","0.0013","32.968","0.0013","80.783","0.005","90","","90","","120","","76039","6","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","PCN-6","","","- C48 H30 Cu3 N6 O15 -","- C48 H24 Cu3 N6 O15 -","- C1152 H576 Cu72 N144 O360 -","24","0.666667","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058777l","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101189","13.135","0.003","17.211","0.003","20.129","0.004","90","","90","","90","","4550.6","1.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Cl N O4 -","- C27 H26 Cl N O4 -","- C216 H208 Cl8 N8 O32 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0602997","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101190","9.6131","0.0019","10.559","0.002","11.683","0.002","104.27","0.03","97.57","0.03","97.47","0.03","1122.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C54 H54 N2 O8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101191","17.7336","0.0007","9.2878","0.0004","17.2333","0.0007","90","","98.468","0.001","90","","2807.5","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H39 O15 Rh S2 -","- C18 H39 O15 Rh S2 -","- C72 H156 O60 Rh4 S8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057347s","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101192","11.427","0.016","14.797","0.015","14.995","0.013","90","","90","0.13","90","","2535","5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl O22 Rh3 -","- C12 H28 Cl O22 Rh3 -","- C48 H112 Cl4 O88 Rh12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057347s","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101193","6.3692","0.0015","11.781","0.003","23.498","0.005","90","","90","","90","","1763.1","0.7","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl2 N O3 -","- C17 H17 Cl2 N O3 -","- C68 H68 Cl8 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060312n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101194","10.334","0.003","6.0435","0.0017","10.356","0.003","90","","115.723","0.005","90","","582.7","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 Cl N2 O -","- C13 H9 Cl N2 O -","- C26 H18 Cl2 N4 O2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060312n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101195","19.6744","0.0003","6.3916","0.0001","20.4343","0.0004","90","","107.57","0.001","90","","2449.75","0.07","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 N2 P -","- C26 H37 N2 P -","- C104 H148 N8 P4 -","4","1","","Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter","P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides","Journal of the American Chemical Society","2006","","","","","10.1021/ja057827j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101196","12.964","0.0004","17.3985","0.0006","7.3944","0.0002","90","","90","","90","","1667.84","0.09","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Cl3 Ge N2 P -","- C10 H20 Cl3 Ge N2 P -","- C40 H80 Cl12 Ge4 N8 P4 -","4","0.5","","Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter","P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides","Journal of the American Chemical Society","2006","","","","","10.1021/ja057827j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101197","12.7132","0.0003","17.4583","0.0005","7.7723","0.0002","90","","90","","90","","1725.07","0.08","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Cl3 N2 P Sn -","- C10 H20 Cl3 N2 P Sn -","- C40 H80 Cl12 N8 P4 Sn4 -","4","0.5","","Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter","P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides","Journal of the American Chemical Society","2006","","","","","10.1021/ja057827j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101198","11.5033","0.0012","33.861","0.004","11.8212","0.0013","90","","111.056","0.002","90","","4297.1","0.8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H61 B Cl2 F4 N2 Os P2 -","- C38 H61 B Cl2 F4 N2 Os P2 -","- C152 H244 B4 Cl8 F16 N8 Os4 P8 -","4","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Oñate, E.","Assembly of an Allenylidene Ligand, a Terminal Alkyne, and an Acetonitrile Molecule: Formation of Osmacyclopentapyrrole Derivatives","Journal of the American Chemical Society","2006","","","","","10.1021/ja058355b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178757","2020-10-21","18:00:00",""
"4101199","10.8367","0.0016","14.352","0.002","14.489","0.002","84.14","0.002","83.248","0.003","81.579","0.002","2205.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H65 B F4 N2 Os P2 -","- C45 H65 B F4 N2 Os P2 -","- C90 H130 B2 F8 N4 Os2 P4 -","2","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Oñate, E.","Assembly of an Allenylidene Ligand, a Terminal Alkyne, and an Acetonitrile Molecule: Formation of Osmacyclopentapyrrole Derivatives","Journal of the American Chemical Society","2006","","","","","10.1021/ja058355b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101200","11.3003","0.0014","10.9934","0.0013","38.071","0.005","90","","94.455","0.002","90","","4715.3","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H68 B F4 N3 Os P2 -","- C47 H68 B F4 N3 Os P2 -","- C188 H272 B4 F16 N12 Os4 P8 -","4","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Oñate, E.","Assembly of an Allenylidene Ligand, a Terminal Alkyne, and an Acetonitrile Molecule: Formation of Osmacyclopentapyrrole Derivatives","Journal of the American Chemical Society","2006","","","","","10.1021/ja058355b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101201","17.5521","0.0009","12.609","0.0006","11.3366","0.0005","90","","93.004","0.001","90","","2505.5","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Cl4 Ir N2 -","- C22 H29 Cl4 Ir N2 -","- C88 H116 Cl16 Ir4 N8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058253l","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101202","8.9105","0.0005","14.2032","0.0007","16.0373","0.0008","90","","90","","90","","2029.64","0.18","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 I Ir N2 -","- C21 H26 I Ir N2 -","- C84 H104 I4 Ir4 N8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058253l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101203","24.918","0.006","10.095","0.004","18.647","0.005","90","","133.96","0.02","90","","3376.4","1.8","299","2","299","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H56 N2 O4 S Si -","- C31 H56 N2 O4 S Si -","- C124 H224 N8 O16 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101204","11.0305","0.0004","13.8404","0.0006","32.098","0.002","90","","90","","90","","4900.29","","","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H67 N3 O7 S Si -","- C48 H67 N3 O7 S Si -","- C192 H268 N12 O28 S4 Si4 -","4","1","","B.Junker; M.Reggelin; D.Schollmeyer","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101205","17.42","0.004","20.435","0.003","17.513","0.004","90","","101.58","0.01","90","","6107","2","194","2","194","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H50 N2 O3 S Si -","- C28 H50 N2 O3 S Si -","- C224 H400 N16 O24 S8 Si8 -","8","4","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101206","7.38","0.002","14.304","0.003","16.996","0.008","90","","93.16","0.03","90","","1791.4","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H50 N2 O3 S Si -","- C34 H50 N2 O3 S Si -","- C68 H100 N4 O6 S2 Si2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101207","11.286","0.001","11.286","0.001","27.256","0.002","90","","90","","90","","3471.7","0.5","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C34 H50 N2 O3 S Si -","- C34 H50 N2 O3 S Si -","- C136 H200 N8 O12 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101208","6.0661","0.0006","14.1382","0.0016","10.9152","0.0015","90","","92.357","0.007","90","","935.34","0.19","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O3 -","- C20 H29 N O3 -","- C40 H58 N2 O6 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101209","16.803","0.004","16.803","0.004","5.941","0.001","90","","90","","120","","1452.7","0.5","303","2","303","2","","","","","","","","4","P 31","P 31","144","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C54 H99 N3 O12 -","3","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101210","10.29","0.002","10.29","0.002","32.797","0.004","90","","90","","120","","3007.4","0.9","293","2","293","2","","","","","","","","4","P 61","P 61","169","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C108 H198 N6 O24 -","6","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101211","10.316","0.001","10.316","0.001","32.838","0.006","90","","90","","120","","3026.4","0.7","299","2","299","2","","","","","","","","4","P 65","P 65","170","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C108 H198 N6 O24 -","6","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101212","6.1354","0.0009","14.4848","0.0017","9.895","0.002","90","","92.369","0.008","90","","878.618","","","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C38 H54 N2 O6 -","2","1","","J.W.Bats; T.Heinrich; M.Reggelin","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101213","14.215","0.003","23.235","0.005","22.908","0.005","90","","101.95","0.009","90","","7402","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H52 Cl N2 Pd -","- C39 H52 Cl N2 Pd -","- C312 H416 Cl8 N16 Pd8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057704z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101214","21.2965","0.001","14.2551","0.0006","22.542","0.001","90","","98.584","0.001","90","","6766.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H47 Cl N2 O0.25 Pd -","- C33 H47 Cl N2 O0.25 Pd -","- C264 H376 Cl8 N16 O2 Pd8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057704z","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101215","13.2878","0.0005","14.6364","0.0005","34.7981","0.0012","90","","90","","90","","6767.7","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 Cl N2 Pd -","- C36 H47 Cl N2 Pd -","- C288 H376 Cl8 N16 Pd8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057704z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101216","10.1232","0.0008","17.8619","0.0014","16.4421","0.0013","90","","90.287","0.001","90","","2973","0.4","396","2","396","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Pd(IPr)(MeCH2CHCH2)Cl]","","","- C31 H44 Cl N2 Pd -","- C31 H44 Cl N2 Pd -","- C124 H176 Cl4 N8 Pd4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057704z","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101217","14.196","0.004","25.572","0.007","21.63","0.006","90","","97.731","0.005","90","","7780","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H108 Ge9 K3 N6 Ni O19 -","- C55 H108 Ge9 K3 N6 Ni O19 -","- C220 H432 Ge36 K12 N24 Ni4 O76 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058652g","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101218","11.9064","0.0015","11.9064","0.0015","25.724","0.007","90","","90","","120","","3158.1","1","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C44 H80 Ge9 K2 N4 Ni2 O13 -","- C43.99 H81.96 Ge9 K2 N4 Ni2 O13 -","- C87.98 H163.92 Ge18 K4 N8 Ni4 O26 -","2","0.166667","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058652g","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101219","14.6754","0.0008","15.2504","0.0008","21.3415","0.0012","82.578","0.003","87.789","0.004","69.499","0.003","4436.2","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H121 Ge9 K3 N8 Ni2 O18 -","- C64 H115 Ge9 K3 N8 Ni2 O18 -","- C128 H230 Ge18 K6 N16 Ni4 O36 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058652g","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101220","17.254","0.003","23.182","0.004","21.302","0.004","90","","96.909","0.004","90","","8458","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H124 Ge9 K3 N10 Ni1.74 O18 -","- C58 H124.03 Ge9 K3 N10 Ni1.735 O18 -","- C232 H496.12 Ge36 K12 N40 Ni6.94 O72 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058652g","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101221","18.3869","0.0006","12.6293","0.0004","17.7726","0.0006","90","","103.199","0.001","90","","4018","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H60 Fe N4 -","- C45 H60 Fe N4 -","- C180 H240 Fe4 N16 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057165y","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101222","10.5181","0.0008","12.1422","0.0011","15.0667","0.0014","96.056","0.004","93.086","0.004","103.537","0.003","1854.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H54 Fe N4 -","- C42 H54 Fe N4 -","- C84 H108 Fe2 N8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057165y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101223","9.8953","0.0015","17.475","0.002","13.3535","0.001","90","","106.336","0.007","90","","2215.9","0.5","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O7 -","- C25 H25 N O7 -","- C100 H100 N4 O28 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101224","12.8791","0.0015","16.3859","0.0016","19.941","0.002","90","","90","","90","","4208.3","0.8","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Br N O7 -","- C22 H20 Br N O7 -","- C176 H160 Br8 N8 O56 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101225","7.9649","0.0011","16.527","0.003","20.98","0.004","90","","98.747","0.01","90","","2729.6","0.8","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Br Cl3 D N O7 -","- C26 H24 Br Cl3 D N O7 -","- C104 H96 Br4 Cl12 D4 N4 O28 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101226","7.179","0.002","14.634","0.005","22.134","0.007","90","","91.121","0.014","90","","2324.9","1.3","296.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Co3 N24 O6 W2 -","- C32 H16 Co3 N24 O6 W2 -","- C64 H32 Co6 N48 O12 W4 -","2","0.5","","Ohkoshi Shin-ichi; Satoru Ikeda; Toshiya Hozumi; Toshinori Kashiwagi; Kazuhito Hashimoto","Photo-induced magnetization with a high magnetic ordering temperature and a large coercive field in a cyano-bridged cobalt-tungstate bimetal assembly","Journal of the American Chemical Society","2006","","","","","10.1021/ja060510e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101227","14.3846","0.0016","20.739","0.002","30.895","0.004","90","","100.687","0.002","90","","9057","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H116 B K N4 O6 -","- C104 H116 B K N4 O6 -","- C416 H464 B4 K4 N16 O24 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060502y","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101228","6.8108","0.0015","14.658","0.003","9.791","0.002","90","","107.796","0.006","90","","930.6","0.3","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N3 O6 -","- C19 H24 N3 O6 -","- C38 H48 N6 O12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060846o","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101229","46.324","0.005","42.268","0.004","41.896","0.004","90","","112.549","0.002","90","","75763","13","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- H1262 K43 Mo214 Na11 O1404 S12 V34 -","- K21 Mo213.6 O1002.72 S12 V30 -","- K42 Mo427.2 O2005.44 S24 V60 -","2","0.25","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060886s","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101230","9.1533","0.0003","10.3494","0.0003","10.603","0.0003","92.71","0.0018","108.658","0.0018","114.178","0.0013","849.49","0.04","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060877j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101231","6.3238","0.0009","7.478","0.001","17.941","0.002","94.542","0.008","93.456","0.007","90.805","0.006","844.1","0.2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C38 H42 N2 O8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060877j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101232","10.0475","0.0002","12.3317","0.0007","20.1691","0.0005","72.591","0.008","89.716","0.008","81.637","0.003","2357.2","0.2","273.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H82 Ni2 O2 P2 -","- C46 H82 Ni2 O2 P2 -","- C92 H164 Ni4 O4 P4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101233","9.5584","0.0007","16.3202","0.0013","16.2667","0.0013","90","","94.116","0.001","90","","2531","0.3","243","2","243","2","","","","","","","","4","P 1 21 1","P 2yb","4","(anthracene)Mo(PMe3)3","","","- C23 H37 Mo P3 -","- C23 H37 Mo P3 -","- C92 H148 Mo4 P12 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058107f","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101234","16.0464","0.0019","9.5126","0.0012","29.522","0.004","90","","90","","90","","4506.3","1","243","2","243","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(NpH)Mo(PMe3)3","","","- C19 H35 Mo P3 -","- C19 H35 Mo P3 -","- C152 H280 Mo8 P24 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058107f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101235","7.0168","0.0002","8.4454","0.0002","24.1473","0.0006","90","","90","","90","","1430.96","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl O4 -","- C15 H15 Cl O4 -","- C60 H60 Cl4 O16 -","4","1","","Overgaard, Jacob","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058490o","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101236","14.038","0.002","4.3526","0.001","14.864","0.002","90","","117.055","0.016","90","","808.8","0.3","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C40 H28 O8 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0603204","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101237","21.034","0.002","4.9644","0.0009","18.847","0.003","90","","108.888","0.012","90","","1862.1","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H4 F10 O4 -","- C20 H4 F10 O4 -","- C80 H16 F40 O16 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0603204","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101238","16.8225","0.0016","7.1205","0.0007","15.706","0.0014","90","","107.423","0.008","90","","1795","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H9 F5 O4 -","- C20 H9 F5 O4 -","- C80 H36 F20 O16 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0603204","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101239","5.9825","0.0007","7.5763","0.001","19.295","0.002","96.91","0.01","91.736","0.009","93.071","0.01","866.37","0.18","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H18 F10 O8 -","- C40 H18 F10 O8 -","- C40 H18 F10 O8 -","1","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0603204","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101240","5.9737","0.0013","7.5892","0.0016","19.199","0.003","97.473","0.016","91.757","0.016","92.796","0.017","861.4","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H9 F5 O4 -","- C20 H9 F5 O4 -","- C40 H18 F10 O8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0603204","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101241","8.237","0.0005","8.499","0.0006","11.211","0.001","92.478","0.003","110.281","0.003","113.705","0.003","658.66","0.09","130","2","130","2","","","","","","","","4","P -1","-P 1","2","methyl red","","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C30 H30 N6 O4 -","2","1","","Jason B. Benedict; Dawn E. Cohen; Scott Lovell; Andrew L. Rohl; Bart Kahr","'What is syncrystallization? States of the pH indicator methyl red in crystals of phthalic acid'","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601181","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101242","7.022","0.0003","13.553","0.0007","21.84","0.0012","90","","99.984","0.002","90","","2047.02","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MR-25DHB","","","- C22 H21 N3 O6 -","- C22 H21 N3 O6 -","- C88 H84 N12 O24 -","4","1","","Jason B. Benedict; Dawn E. Cohen; Scott Lovell; Andrew L. Rohl; Bart Kahr","'What is syncrystallization? States of the pH indicator methyl red in crystals of phthalic acid'","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601181","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101243","7.89","0.0002","11.898","0.0004","16.662","0.0007","90","","92.568","0.0011","90","","1562.58","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MRHBrH20","","","- C15 H18 Br N3 O3 -","- C15 H18 Br N3 O3 -","- C60 H72 Br4 N12 O12 -","4","1","","Jason B. Benedict; Dawn E. Cohen; Scott Lovell; Andrew L. Rohl; Bart Kahr","'What is syncrystallization? States of the pH indicator methyl red in crystals of phthalic acid'","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601181","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101244","9.083","0.0005","14.185","0.0007","26.653","0.002","90","0","98.042","0.004","90","0","3400.3","0.4","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","0.5PA-MR","","","- C19 H18 N3 O4 -","- C19 H18 N3 O4 -","- C152 H144 N24 O32 -","8","1","","Jason B. Benedict; Dawn E. Cohen; Scott Lovell; Andrew L. Rohl; Bart Kahr","'What is syncrystallization? States of the pH indicator methyl red in crystals of phthalic acid'","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601181","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101245","16.9603","0.001","20.6955","0.0009","20.1896","0.001","90","","96.263","0.002","90","","7044.3","0.6","170","2","170","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","P5L","","","- C42 H87 F12 N2 P5 Re6 Sb2 Se8 -","- C42.002 H87 F12 N2 P5 Re6 Sb2 Se8 -","- C168.008 H348 F48 N8 P20 Re24 Sb8 Se32 -","4","1","","Roland, Bryan K; Flora, Ware H; Selby, Hugh D; Armstrong, Neal R; Zheng, Zhiping","Dendritic arrays of [Re6(mu3-Se)8]2+ core-containing clusters: exploratory synthesis and electrochemical studies.","Journal of the American Chemical Society","2006","128","20","6620","6625","10.1021/ja057548w","","","0.71073","MoKα","","0.0417","0.0299","","","0.0753","0.079","","","","","","1.057","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101246","65.68","0.07","65.68","0.07","79.46","0.08","90","","90","","120","","296844","515","98","2","98","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C846 H1919 N262 O491 S8.83 -","- C849.41 H1342.9 N261.7 O648.31 S12.94 -","- C5096.46 H8057.4 N1570.2 O3889.86 S77.64 -","6","1","","Fuhrmann, Cynthia N; Daugherty, Matthew D; Agard, David A","Subangstrom crystallography reveals that short ionic hydrogen bonds, and not a His-Asp low-barrier hydrogen bond, stabilize the transition state in serine protease catalysis.","Journal of the American Chemical Society","2006","128","28","9086","9102","10.1021/ja057721o","","","0.785","","","0.0817","0.0728","","","0.1999","0.2056","","","","","","1.691","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101247","65.77","0.07","65.77","0.07","79.55","0.08","90","","90","","120","","298004","518","98","2","98","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C846 H2027 B N262 O581 S9.5 -","- C866.99 H1367.07 N265.96 O639.78 S11.32 -","- C5201.94 H8202.42 N1595.76 O3838.68 S67.92 -","6","1","","Fuhrmann, Cynthia N; Daugherty, Matthew D; Agard, David A","Subangstrom crystallography reveals that short ionic hydrogen bonds, and not a His-Asp low-barrier hydrogen bond, stabilize the transition state in serine protease catalysis.","Journal of the American Chemical Society","2006","128","28","9086","9102","10.1021/ja057721o","","","0.75","","","0.0819","0.0733","","","0.2061","0.2203","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101248","6.2719","0.0014","13.059","0.004","22.493","0.006","90.09","0.02","90.065","0.019","91.76","0.02","1841.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- P S4 Sb -","- P S4 Sb -","- P12 S48 Sb12 -","12","6","","Malliakas, Christos D; Kanatzidis, Mercouri G","Inorganic single wall nanotubes of SbPS(4-x)Se(x) (0 < or = x < or = 3) with tunable band gap.","Journal of the American Chemical Society","2006","128","20","6538","6539","10.1021/ja057943m","","","0.71073","MoKα","","0.1512","0.117","","","0.2657","0.2808","","","","","","1.222","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101249","12.2516","0.0002","12.8193","0.0002","24.8929","0.0003","90","","90","","90","","3909.6","0.1","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","boecp1","","","- C42 H58 O12 -","- C42 H58 O12 -","- C168 H232 O48 -","4","1","","Boeckman, Jr, Robert K; Shao, Pengcheng; Wrobleski, Stephen T; Boehmler, Debra J; Heintzelman, Geoffrey R; Barbosa, Antonio J","Toward the development of a general chiral auxiliary. A total synthesis of (+)-tetronolide via a tandem ketene-trapping [4 + 2] cycloaddition strategy.","Journal of the American Chemical Society","2006","128","32","10572","10588","10.1021/ja0581346","","","0.71073","MoKα","","0.0348","0.0325","","","0.0828","0.0845","","","","","","1.061","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101250","46.929","0.004","11.5729","0.0009","17.8941","0.0014","90","","90","","90","","9718.4","1.4","150","","150","","","","","","","","?","7","I b a 2","I 2 -2c","45","","","","- C52 H45 Br2 Ir N2 O2 S2 -","- C52 H45 Br2 Ir N2 O2 S2 -","- C416 H360 Br16 Ir8 N16 O16 S16 -","8","1","","Evans, Nicholas R; Sudha Devi, Lekshmi; Mak, Chris S K; Watkins, Scott E; Pascu, Sofia I; Köhler, Anna; Friend, Richard H; Williams, Charlotte K; Holmes, Andrew B","Triplet energy back transfer in conjugated polymers with pendant phosphorescent iridium complexes.","Journal of the American Chemical Society","2006","128","20","6647","6656","10.1021/ja0584267","","","0.6904","synchrotron","","0.0722","0.0388","","0.089","0.0455","0.0455","","","","","","1.0006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101251","12.6135","0.0002","14.2569","0.0002","18.018","0.0003","90","","90","","90","","3240.17","0.09","180","","180","","","","","","","","?","6","P c a 21","P 2c -2ac","29","","","","- C35 H33 Ir N2 O3 S2 -","- C35 H33 Ir N2 O3 S2 -","- C140 H132 Ir4 N8 O12 S8 -","4","1","","Evans, Nicholas R; Sudha Devi, Lekshmi; Mak, Chris S K; Watkins, Scott E; Pascu, Sofia I; Köhler, Anna; Friend, Richard H; Williams, Charlotte K; Holmes, Andrew B","Triplet energy back transfer in conjugated polymers with pendant phosphorescent iridium complexes.","Journal of the American Chemical Society","2006","128","20","6647","6656","10.1021/ja0584267","","","0.71073","MoKα","","0.0263","0.0204","","0.0321","0.0285","0.0285","","","","","","0.8464","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101252","4.5636","0.0012","9.979","0.003","20.116","0.006","81.1","0.03","86.46","0.02","88.48","0.03","903.2","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H30 N4 O2 -","- C17 H30 N4 O2 -","- C34 H60 N8 O4 -","2","1","","Lafitte, Valérie G H; Aliev, Abil E; Horton, Peter N; Hursthouse, Michael B; Bala, Kason; Golding, Peter; Hailes, Helen C","Quadruply hydrogen bonded cytosine modules for supramolecular applications.","Journal of the American Chemical Society","2006","128","20","6544","6545","10.1021/ja0587289","","","0.71073","MoKα","","0.0795","0.0572","","","0.1346","0.1499","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101253","14.938","0.003","9.6522","0.0017","15.763","0.003","90","","106.491","0.002","90","","2179.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N P Sn -","- C23 H28 N P Sn -","- C92 H112 N4 P4 Sn4 -","4","1","","Grundy, Joanna; Donnadieu, Bruno; Mathey, François","The alpha-iminophospholide ligands.","Journal of the American Chemical Society","2006","128","24","7716","7717","10.1021/ja060100q","","","0.71073","MoKα","","0.0342","0.03","","","0.1103","0.1146","","","","","","1.036","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101254","14.9291","0.0003","17.6446","0.0004","17.8388","0.0004","67.097","0.001","79.278","0.001","67.324","0.001","3990.42","0.15","293","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H84 Cl8 Cu4 N4 P4 -","- C84 H84 Cl8 Cu4 N4 P4 -","- C168 H168 Cl16 Cu8 N8 P8 -","2","1","","Grundy, Joanna; Donnadieu, Bruno; Mathey, François","The alpha-iminophospholide ligands.","Journal of the American Chemical Society","2006","128","24","7716","7717","10.1021/ja060100q","","","0.71073","MoKα","","0.0335","0.0265","","","0.0688","0.074","","","","","","1.065","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101255","9.4466","0.0019","10.052","0.002","13.087","0.003","90","","98.62","0.03","90","","1228.7","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H25 Cl N2 O2 -","- C29 H25 Cl N2 O2 -","- C58 H50 Cl2 N4 O4 -","2","1","","Sharma, Vasudha; Peddibhotla, Satyamaheshwar; Tepe, Jetze J","Sensitization of cancer cells to DNA damaging agents by imidazolines.","Journal of the American Chemical Society","2006","128","28","9137","9143","10.1021/ja060273f","","","0.71073","MoKα","","0.04","0.0302","","","0.0829","0.0913","","","","","","0.688","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101256","10.256","0.002","11.428","0.002","13.011","0.003","90.97","0.03","105.28","0.03","90.96","0.03","1470.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Cl4 N2 O2 -","- C30 H26 Cl4 N2 O2 -","- C60 H52 Cl8 N4 O4 -","2","1","","Sharma, Vasudha; Peddibhotla, Satyamaheshwar; Tepe, Jetze J","Sensitization of cancer cells to DNA damaging agents by imidazolines.","Journal of the American Chemical Society","2006","128","28","9137","9143","10.1021/ja060273f","","","0.71073","MoKα","","0.1346","0.0484","","","0.119","0.1587","","","","","","0.813","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101257","14.573","0.002","14.573","0.002","10.354","0.001","90","","90","","120","","1904.3","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Val-Val","L-Valyl-L-Valine","","- C10 H20 N2 O3 -","- C10 H20 N2 O3 -","- C60 H120 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0329","0.0304","","","0.0774","0.0786","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101258","14.774","0.002","14.774","0.002","10.319","0.001","90","","90","","120","","1950.6","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Val-Ile","L-Valyl-L-Isoleucine","","- C11 H22 N2 O3 -","- C11 H22 N2 O3 -","- C66 H132 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.033","0.0313","","","0.0827","0.0842","","","","","","1.045","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101259","18.138","0.002","18.138","0.002","6.163","0.001","90","","90","","120","","1755.9","0.4","293","2","293","2","","","","","","","","4","P 65","P 65","170","Leu-Ser","L-Leucyl-L-Serine","","- C9 H18 N2 O4 -","- C9 H18 N2 O4 -","- C54 H108 N12 O24 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0303","0.0289","","","0.0803","0.0815","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101260","14.871","0.002","14.871","0.002","10.305","0.001","90","","90","","120","","1973.6","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","L-Ile-L-Val","L-Isoleucyl-L-Valine","","- C11 H22 N2 O3 -","- C11 H22 N2 O3 -","- C66 H132 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0322","0.0304","","","0.0785","0.0796","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101261","14.481","0.002","14.481","0.002","10.037","0.001","90","","90","","120","","1822.8","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Ile-Ala","L-Isoleucyl-L-Alanine","","- C9 H18 N2 O3 -","- C9 H18 N2 O3 -","- C54 H108 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0414","0.0367","","","0.0925","0.095","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101262","14.261","0.002","14.261","0.002","10.221","0.001","90","","90","","120","","1800.2","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Ala-Ile","L-Alanyl-L-Isoleucine","","- C9 H18 N2 O3 -","- C9 H18 N2 O3 -","- C54 H108 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0367","0.0343","","","0.0884","0.0898","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101263","24.579","0.005","23.016","0.005","10.511","0.005","90","0.005","98.643","0.005","90","0.005","5879","3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-samarium chloride clathrate hydrate)","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-samarium chloride clathrate hydrate)","","- C30 H18 Ba2 Cl N6 O37.14 S6 Sm -","- C30 H18 Ba2 Cl N6 O37.14 S6 Sm -","- C120 H72 Ba8 Cl4 N24 O148.56 S24 Sm4 -","4","1","","Chandler, Brett D; Cramb, David T; Shimizu, George K H","Microporous metal-organic frameworks formed in a stepwise manner from luminescent building blocks.","Journal of the American Chemical Society","2006","128","32","10403","10412","10.1021/ja060666e","","x-ray","0.71069","MoKα","","0.0775","0.0471","","","0.1182","0.1354","","","","","","1.012","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101264","24.423","0.005","22.995","0.005","10.498","0.002","90","","98.54","0.03","90","","5830","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","catena-(tris(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-gadolinium chloride clathrate hydrate)","catena-(tris(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-gadolinium chloride clathrate hydrate)","","- C30 H18 Ba2 Cl Gd N6 O39.16 S6 -","- C30 H18 Ba2 Cl Gd N6 O39.146 S6 -","- C120 H72 Ba8 Cl4 Gd4 N24 O156.584 S24 -","4","1","","Chandler, Brett D; Cramb, David T; Shimizu, George K H","Microporous metal-organic frameworks formed in a stepwise manner from luminescent building blocks.","Journal of the American Chemical Society","2006","128","32","10403","10412","10.1021/ja060666e","","x-ray","0.71073","MoKα","","0.0714","0.048","","","0.1341","0.1639","","","","","","1.121","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101265","24.525","0.005","22.917","0.005","10.531","0.005","90","0.005","98.595","0.005","90","0.005","5852","3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-terbium chloride clathrate hydrate)","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-terbium chloride clathrate hydrate)","","- C30 H18 Ba2 Cl N6 O38.22 S6 Tb -","- C30 H18 Ba2 Cl N6 O38.22 S6 Tb -","- C120 H72 Ba8 Cl4 N24 O152.88 S24 Tb4 -","4","1","","Chandler, Brett D; Cramb, David T; Shimizu, George K H","Microporous metal-organic frameworks formed in a stepwise manner from luminescent building blocks.","Journal of the American Chemical Society","2006","128","32","10403","10412","10.1021/ja060666e","","x-ray","0.71069","MoKα","","0.1253","0.0585","","","0.1495","0.1926","","","","","","0.976","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101266","24.627","0.005","22.651","0.005","10.547","0.005","90","0.005","98.168","0.005","90","0.005","5824","3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-dysprosium chloride clathrate hydrate)","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-dysprosium chloride clathrate hydrate)","","- C30 H18 Ba2 Cl Dy N6 O34.48 S6 -","- C30 H18 Ba2 Cl Dy N6 O34.48 S6 -","- C120 H72 Ba8 Cl4 Dy4 N24 O137.92 S24 -","4","1","","Chandler, Brett D; Cramb, David T; Shimizu, George K H","Microporous metal-organic frameworks formed in a stepwise manner from luminescent building blocks.","Journal of the American Chemical Society","2006","128","32","10403","10412","10.1021/ja060666e","","x-ray","0.71069","MoKα","","0.065","0.0379","","","0.0972","0.1109","","","","","","1.006","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101267","24.55","0.002","23.026","0.002","10.4867","0.001","90","","98.796","0.002","90","","5858.5","1","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25.5 Ba2 Cl Eu N6 O34.5 S6 -","- C30 H26 Ba2 Cl Eu N6 O34.5 S6 -","- C120 H104 Ba8 Cl4 Eu4 N24 O138 S24 -","4","1","","Chandler, Brett D; Cramb, David T; Shimizu, George K H","Microporous metal-organic frameworks formed in a stepwise manner from luminescent building blocks.","Journal of the American Chemical Society","2006","128","32","10403","10412","10.1021/ja060666e","","","0.71073","MoKα","","0.0939","0.0635","","","0.1557","0.1714","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101268","13.9099","0.0012","19.766","0.0016","15.7615","0.0013","90","","98.033","0.002","90","","4291","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Piv-Pro-Pro-Aib-Leu-Aib-Phe-OMe","Pivaloyl-prolyl-prolyl-alpha-aminoisobutyryl-leucyl-alpha-aminoisobutyryl- phenylalanyl-methyl ester","","- C39 H60 N6 O8 -","- C39 H60 N6 O8 -","- C156 H240 N24 O32 -","4","2","","Rai, Rajkishor; Aravinda, Subrayashastry; Kanagarajadurai, Karuppiah; Raghothama, Srinivasarao; Shamala, Narayanaswamy; Balaram, Padmanabhan","Diproline templates as folding nuclei in designed peptides. Conformational analysis of synthetic peptide helices containing amino terminal Pro-Pro segments.","Journal of the American Chemical Society","2006","128","24","7916","7928","10.1021/ja060674v","","","0.71073","MoKα","","0.0733","0.0546","","","0.1445","0.1597","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101269","9.086","0.0017","24.088","0.004","7.7691","0.0014","90","","115.028","0.002","90","","1540.7","0.5","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H14 Cd Cl N5 O2 -","- C13 H14 Cd Cl N5 O2 -","- C52 H56 Cd4 Cl4 N20 O8 -","4","1","","Ye, Qiong; Song, Yu-Mei; Wang, Guo-Xi; Chen, Kai; Fu, Da-Wei; Chan, Philip Wai Hong; Zhu, Jin-Song; Huang, Songping D; Xiong, Ren-Gen","Ferroelectric metal-organic framework with a high dielectric constant.","Journal of the American Chemical Society","2006","128","20","6554","6555","10.1021/ja060856p","","","0.71073","MoKα","","0.0554","0.0515","","","0.1268","0.1282","","","","","","1.029","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101270","24.3311","0.0003","46.3186","0.0006","46.72","0.0007","90","","99.6656","0.0008","90","","51905","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C142.75 H171 Mn3.85 N45.75 O101.25 Pd6 -","- C142.854 H171.065 Mn3.857 N45.818 O100.888 Pd6 -","- C1142.83 H1368.52 Mn30.856 N366.544 O807.1 Pd48 -","8","2","","Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto","Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage.","Journal of the American Chemical Society","2006","128","20","6558","6559","10.1021/ja0609250","","","0.689","synchrotron","","0.1738","0.1233","","","0.3497","0.3846","","","","","","1.335","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101271","24.3225","0.0004","45.7184","0.0006","46.6645","0.0007","90","","99.5401","0.0004","90","","51173","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C142.75 H171.5 Mn3.84 N45.5 O97.25 Pd6 -","- C142.726 H171.381 Mn3.847 N45.425 O97.261 Pd6 -","- C1141.81 H1371.05 Mn30.776 N363.4 O778.088 Pd48 -","8","2","","Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto","Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage.","Journal of the American Chemical Society","2006","128","20","6558","6559","10.1021/ja0609250","","","0.689","synchrotron","","0.1502","0.1125","","","0.3204","0.3445","","","","","","1.234","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101272","29.055","0.003","29.055","0.003","30.767","0.007","90","","90","","90","","25973","7","78","2","78","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C157.48 H111.92 Mn3.18 N45.66 O106.58 Pd6 -","- C157.184 H111.74 Mn3.148 N45.664 O106.536 Pd6 -","- C628.736 H446.96 Mn12.592 N182.656 O426.144 Pd24 -","4","0.5","","Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto","Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage.","Journal of the American Chemical Society","2006","128","20","6558","6559","10.1021/ja0609250","","","0.71073","MoKα","","0.1633","0.1022","","","0.2581","0.3117","","","","","","1.074","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101273","10.7492","0.0003","6.9262","0.0002","11.6456","0.0003","90","","115.72","0.001","90","","781.13","0.04","78","2","78","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Mn O3 -","- C8 H5 Mn O3 -","- C32 H20 Mn4 O12 -","4","1","","Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto","Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage.","Journal of the American Chemical Society","2006","128","20","6558","6559","10.1021/ja0609250","","","0.71073","MoKα","","0.0357","0.0249","","","0.0627","0.0665","","","","","","1.031","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101274","8.0847","0.0016","17.899","0.004","13.168","0.003","90","","107.26","0.03","90","","1819.7","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","","Elliott, Gregory I; Fuchs, James R; Blagg, Brian S J; Ishikawa, Hayato; Tao, Houchao; Yuan, Z-Q; Boger, Dale L","Intramolecular diels-alder/1,3-dipolar cycloaddition cascade of 1,3,4-oxadiazoles.","Journal of the American Chemical Society","2006","128","32","10589","10595","10.1021/ja0612549","","","0.71073","MoKα","","0.1038","0.0693","","","0.1805","0.2064","","","","","","1.052","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101275","8.21","0.004","9.372","0.005","18.942","0.01","97.915","0.01","93.978","0.01","101.191","0.011","1409.2","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 N2 O7 -","- C30 H34 N2 O7 -","- C60 H68 N4 O14 -","2","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.1359","0.0629","","","0.1469","0.185","","","","","","1.009","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101276","8.6242","0.0008","10.7709","0.0009","21.359","0.0019","90","","97.95","0.002","90","","1965","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N2 O3 -","- C22 H30 N2 O3 -","- C88 H120 N8 O12 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0798","0.0528","","","0.1365","0.1567","","","","","","1.023","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101277","10.191","0.002","13.011","0.003","15.311","0.003","90","","90","","90","","2030.2","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0457","0.0405","","","0.1001","0.1033","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101278","11.485","0.002","13.835","0.003","19.763","0.004","90","","90","","90","","3140.2","1.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 N2 O4 S Si -","- C31 H46 N2 O4 S Si -","- C124 H184 N8 O16 S4 Si4 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.1349","0.116","","","0.3026","0.3222","","","","","","1.217","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101279","10.1539","0.0015","11.5677","0.0017","17.553","0.003","90","","90","","90","","2061.8","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C92 H112 N8 O16 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0603","0.0538","","","0.1381","0.1436","","","","","","0.926","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101280","8.8858","0.0018","6.9643","0.0014","15.401","0.003","90","","98.36","0.03","90","","942.9","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C42 H48 N4 O8 -","2","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.063","0.051","","","0.1112","0.1165","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101281","13.2501","0.0015","9.0998","0.001","22.7","0.003","90","","104.187","0.002","90","","2653.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C120 H136 N8 O24 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.1062","0.0525","","","0.1246","0.1464","","","","","","1.025","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101282","9.7531","0.0006","14.2685","0.0009","19.3063","0.0012","90","","101.784","0.001","90","","2630.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C120 H136 N8 O24 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0924","0.0538","","","0.1297","0.1474","","","","","","1.03","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101283","14.772","0.003","14.944","0.003","18.334","0.004","109.94","0.03","95.96","0.03","110.8","0.03","3438","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H37 Br N2 O8 -","- C37 H37 Br N2 O8 -","- C148 H148 Br4 N8 O32 -","4","2","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.1431","0.0633","","","0.1423","0.1804","","","","","","0.96","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101284","11.298","0.002","12.007","0.002","17.511","0.004","90","","90","","90","","2375.4","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Br2 N2 O5 -","- C23 H26 Br2 N2 O5 -","- C92 H104 Br8 N8 O20 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0464","0.0361","","","0.0967","0.1041","","","","","","0.915","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101285","15.38","0.0002","15.404","0.0002","18.353","0.0004","75.291","0.001","66.291","0.001","65.176","0.001","3594.25","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","dichlorobis(1,6-bisdiphenylphosphinohexane)cobalt","","- C69 H82 Cl4 Co2 O3 P4 -","- C69 H82 Cl4 Co2 O3 P4 -","- C138 H164 Cl8 Co4 O6 P8 -","2","1","","Affo, Walter; Ohmiya, Hirohisa; Fujioka, Takuma; Ikeda, Yousuke; Nakamura, Tomoaki; Yorimitsu, Hideki; Oshima, Koichiro; Imamura, Yuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Cobalt-catalyzed trimethylsilylmethylmagnesium-promoted radical alkenylation of alkyl halides: a complement to the Heck reaction.","Journal of the American Chemical Society","2006","128","24","8068","8077","10.1021/ja061417t","","","0.71069","MoKα","","0.0824","0.0567","","","0.1448","0.1617","","","","","","1.059","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101286","19.1884","0.0012","12.1771","0.0008","19.0995","0.0012","90","","90","","90","","4462.8","0.5","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","[RuCp(=C(COOEt)-η^3^-CHC(COOEt)CH-IPr^i^)]PF~6~.CH~2~Cl~2~","","","- C43 H55 Cl2 F6 N2 O4 P Ru -","- C43 H55 Cl2 F6 N2 O4 P Ru -","- C172 H220 Cl8 F24 N8 O16 P4 Ru4 -","4","1","","Becker, Eva; Stingl, Verena; Dazinger, Georg; Puchberger, Michael; Mereiter, Kurt; Kirchner, Karl","Facile migratory insertion of a N-heterocyclic carbene into a ruthenium-carbon double bond: a new type of reaction of a NHC ligand.","Journal of the American Chemical Society","2006","128","20","6572","6573","10.1021/ja061454k","","","0.71073","MoKα","","0.0364","0.0333","","","0.0881","0.0903","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101287","9.9577","0.0008","12.1717","0.0009","12.9933","0.001","92.232","0.002","104.417","0.002","103.785","0.002","1473.2","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H25 Cl3 Cr F6 N5 O2 Sb -","- C22 H24 Cl Cr F6 N5 O2 Sb -","- C44 H48 Cl2 Cr2 F12 N10 O4 Sb2 -","2","1","","Tomov, Atanas K; Chirinos, Juan J; Long, Richard J; Gibson, Vernon C; Elsegood, Mark R J","An unprecedented alpha-olefin distribution arising from a homogeneous ethylene oligomerization catalyst.","Journal of the American Chemical Society","2006","128","24","7704","7705","10.1021/ja0615369","","","0.71073","MoKα","","0.0961","0.0461","","","0.0935","0.1079","","","","","","0.949","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101288","16.0881","0.0015","12.9815","0.0012","12.2632","0.0011","90","","90","","90","","2561.1","0.4","295","2","295","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C21 H33 B N6 O P2 Ru -","- C21 H33 B N6 O P2 Ru -","- C84 H132 B4 N24 O4 P8 Ru4 -","4","0.5","","Feng, Yuee; Lail, Marty; Foley, Nicholas A; Gunnoe, T Brent; Barakat, Khaldoon A; Cundari, Thomas R; Petersen, Jeffrey L","Hydrogen-deuterium exchange between TpRu(PMe3)(L)X (L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and deuterated arene solvents: evidence for metal-mediated processes.","Journal of the American Chemical Society","2006","128","24","7982","7994","10.1021/ja0615775","","","0.71073","MoKα","","0.0325","0.0246","","","0.0622","0.0674","","","","","","1.064","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101289","10.4395","0.0005","16.5658","0.0009","14.5617","0.0008","90","","91.616","0.001","90","","2517.3","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 B N6 P2 Ru -","- C21 H33 B N6 P2 Ru -","- C84 H132 B4 N24 P8 Ru4 -","4","1","","Feng, Yuee; Lail, Marty; Foley, Nicholas A; Gunnoe, T Brent; Barakat, Khaldoon A; Cundari, Thomas R; Petersen, Jeffrey L","Hydrogen-deuterium exchange between TpRu(PMe3)(L)X (L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and deuterated arene solvents: evidence for metal-mediated processes.","Journal of the American Chemical Society","2006","128","24","7982","7994","10.1021/ja0615775","","","0.71073","MoKα","","0.052","0.0321","","","0.0707","0.0776","","","","","","1.025","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101290","18.778","0.002","9.4456","0.001","13.1493","0.0013","90","","90","","90","","2332.3","0.4","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H27 B N7 P Ru -","- C20 H27 B N7 P Ru -","- C80 H108 B4 N28 P4 Ru4 -","4","1","","Feng, Yuee; Lail, Marty; Foley, Nicholas A; Gunnoe, T Brent; Barakat, Khaldoon A; Cundari, Thomas R; Petersen, Jeffrey L","Hydrogen-deuterium exchange between TpRu(PMe3)(L)X (L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and deuterated arene solvents: evidence for metal-mediated processes.","Journal of the American Chemical Society","2006","128","24","7982","7994","10.1021/ja0615775","","","0.71073","MoKα","","0.0441","0.0386","","","0.0883","0.0919","","","","","","1.04","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101291","9.5798","0.0009","17.5497","0.0016","12.2467","0.0011","90","","111.667","0.002","90","","1913.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 B10 -","- C14 H30 B10 -","- C56 H120 B40 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Nickel-mediated regioselective [2 + 2 + 2] cycloaddition of carboryne with alkynes.","Journal of the American Chemical Society","2006","128","24","7728","7729","10.1021/ja061605j","","","0.71073","MoKα","","0.1121","0.0683","","","0.1681","0.2042","","","","","","1.044","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101292","9.9134","0.0009","16.3843","0.0015","15.4447","0.0014","90","","104.198","0.002","90","","2432","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 B10 -","- C18 H38 B10 -","- C72 H152 B40 -","4","0.5","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Nickel-mediated regioselective [2 + 2 + 2] cycloaddition of carboryne with alkynes.","Journal of the American Chemical Society","2006","128","24","7728","7729","10.1021/ja061605j","","","0.71073","MoKα","","0.0741","0.053","","","0.1495","0.1671","","","","","","1.046","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101293","38.779","0.002","38.779","0.002","12.1544","0.0013","90","","90","","120","","15829","2","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C30 H30 B10 -","- C30 H30 B10 -","- C540 H540 B180 -","18","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Nickel-mediated regioselective [2 + 2 + 2] cycloaddition of carboryne with alkynes.","Journal of the American Chemical Society","2006","128","24","7728","7729","10.1021/ja061605j","","","0.71073","MoKα","","0.1837","0.0998","","","0.2629","0.3648","","","","","","1.051","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101294","12.868","0.003","12.278","0.003","14.193","0.003","90","","102.27","0.03","90","","2191.3","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 B10 -","- C20 H26 B10 -","- C80 H104 B40 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Nickel-mediated regioselective [2 + 2 + 2] cycloaddition of carboryne with alkynes.","Journal of the American Chemical Society","2006","128","24","7728","7729","10.1021/ja061605j","","","0.71073","MoKα","","0.0841","0.0611","","","0.1439","0.1551","","","","","","1.159","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101295","10.382","0.0018","18.552","0.003","28.499","0.005","90","","91.956","0.003","90","","5485.9","1.7","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H21 F26 N7 O5 -","- C61 H21 F26 N7 O5 -","- C244 H84 F104 N28 O20 -","4","1","","Hiroto, Satoru; Shinokubo, Hiroshi; Osuka, Atsuhiro","Porphyrin synthesis in water provides new expanded porphyrins with direct bipyrrole linkages: isolation and characterization of two heptaphyrins.","Journal of the American Chemical Society","2006","128","20","6568","6569","10.1021/ja061621g","","","0.71073","MoKα","","0.1231","0.0916","","","0.2382","0.2673","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101296","19.12","0.004","31.455","0.007","39.222","0.006","90","","113.439","0.008","90","","21642","7","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C161 H44 Cl3 F90 N14 O25 -","- C161 H44 Cl3 F90 N14 O25 -","- C644 H176 Cl12 F360 N56 O100 -","4","1","","Hiroto, Satoru; Shinokubo, Hiroshi; Osuka, Atsuhiro","Porphyrin synthesis in water provides new expanded porphyrins with direct bipyrrole linkages: isolation and characterization of two heptaphyrins.","Journal of the American Chemical Society","2006","128","20","6568","6569","10.1021/ja061621g","","","0.71073","MoKα","","0.1289","0.0863","","","0.2326","0.2565","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101297","11.921","0.005","13.3","0.005","29.176","0.01","101.478","0.013","95.064","0.015","107.334","0.015","4273","3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H31 Cl3 F35 N8 -","- C99 H31 Cl3 F35 N8 -","- C198 H62 Cl6 F70 N16 -","2","1","","Hiroto, Satoru; Shinokubo, Hiroshi; Osuka, Atsuhiro","Porphyrin synthesis in water provides new expanded porphyrins with direct bipyrrole linkages: isolation and characterization of two heptaphyrins.","Journal of the American Chemical Society","2006","128","20","6568","6569","10.1021/ja061621g","","","0.71075","MoKα","","0.1271","0.0802","","","0.209","0.2393","","","","","","1.045","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101298","14.8265","0.0007","7.0692","0.0003","16.7136","0.0009","90","","100.316","0.002","90","","1723.46","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","?","- C152 H168 N8 O48 -","- C152 H168 N8 O48 -","","","","Reczek, Joseph J; Villazor, Karen R; Lynch, Vincent; Swager, Timothy M; Iverson, Brent L","Tunable columnar mesophases utilizing C2 symmetric aromatic donor-acceptor complexes.","Journal of the American Chemical Society","2006","128","24","7995","8002","10.1021/ja061649s","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101299","10.1516","0.0003","9.8122","0.0002","10.1948","0.0002","90","","92.974","0.001","90","","1014.13","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","?","- C88 H128 O8 -","- C88 H128 O8 -","","","","Reczek, Joseph J; Villazor, Karen R; Lynch, Vincent; Swager, Timothy M; Iverson, Brent L","Tunable columnar mesophases utilizing C2 symmetric aromatic donor-acceptor complexes.","Journal of the American Chemical Society","2006","128","24","7995","8002","10.1021/ja061649s","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101300","41.893","0.002","6.8695","0.0003","8.4203","0.0003","90","","90.833","0.002","90","","2422.97","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","?","- C112 H136 N8 O16 -","- C112 H136 N8 O16 -","","","","Reczek, Joseph J; Villazor, Karen R; Lynch, Vincent; Swager, Timothy M; Iverson, Brent L","Tunable columnar mesophases utilizing C2 symmetric aromatic donor-acceptor complexes.","Journal of the American Chemical Society","2006","128","24","7995","8002","10.1021/ja061649s","","","","","","","","","","","","","","","","","","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101301","9.2006","0.0002","8.5041","0.0002","8.6679","0.0002","90","","94.442","0.001","90","","676.164","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","?","- C64 H80 O8 -","- C64 H80 O8 -","","","","Reczek, Joseph J; Villazor, Karen R; Lynch, Vincent; Swager, Timothy M; Iverson, Brent L","Tunable columnar mesophases utilizing C2 symmetric aromatic donor-acceptor complexes.","Journal of the American Chemical Society","2006","128","24","7995","8002","10.1021/ja061649s","","","","","","","","","","","","","","","","","","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101302","13.041","0.006","13.041","0.006","11.672","0.011","90","","90","","120","","1719.1","1.9","173","2","173","2","","","","","","","","7","P -3","-P 3","147","","","","- C36 H72 K2 N4 O12 Pb12 Pt -","- C36 H72 K2 N4 O12 Pb12 Pt -","- C36 H72 K2 N4 O12 Pb12 Pt -","1","0.166667","","Esenturk, Emren N; Fettinger, James; Eichhorn, Bryan","The Pb12(2-) and Pb10(2-) zintl ions and the M@Pb12(2-) and M@Pb10(2-) cluster series where M = Ni, Pd, Pt.","Journal of the American Chemical Society","2006","128","28","9178","9186","10.1021/ja061842m","","","0.71073","MoKα","","0.073","0.0352","","","0.0825","0.0959","","","","","","1.055","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101303","13.59","0.0011","13.9389","0.0011","22.1236","0.0017","72.1144","0.0015","85.2884","0.0016","64.1532","0.0015","3582.8","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H80 K2 N4 O12 Pb12 Pd -","- C43 H80 K2 N4 O12 Pb12 Pd -","- C86 H160 K4 N8 O24 Pb24 Pd2 -","2","1","","Esenturk, Emren N; Fettinger, James; Eichhorn, Bryan","The Pb12(2-) and Pb10(2-) zintl ions and the M@Pb12(2-) and M@Pb10(2-) cluster series where M = Ni, Pd, Pt.","Journal of the American Chemical Society","2006","128","28","9178","9186","10.1021/ja061842m","","","0.71073","MoKα","","0.1014","0.0596","","","0.156","0.1671","","","","","","0.996","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101304","14.512","0.003","15.406","0.003","16.335","0.003","62.961","0.003","64.337","0.003","87.126","0.004","2882.6","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H80 K2 N6 Ni0.5 O12 Pb6 -","- C37.98 H72 K2 N5.98 Ni0.5 O12 Pb6 -","- C75.96 H144 K4 N11.96 Ni O24 Pb12 -","2","1","","Esenturk, Emren N; Fettinger, James; Eichhorn, Bryan","The Pb12(2-) and Pb10(2-) zintl ions and the M@Pb12(2-) and M@Pb10(2-) cluster series where M = Ni, Pd, Pt.","Journal of the American Chemical Society","2006","128","28","9178","9186","10.1021/ja061842m","","","0.71073","MoKα","","0.1689","0.1086","","","0.2671","0.2944","","","","","","0.989","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101305","24.843","0.003","11.9405","0.0016","21.403","0.003","90","","96.907","0.002","90","","6302.7","1.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H72 K2 N4 Ni O12 Pb10 -","- C36 H72 K2 N4 Ni O12 Pb10 -","- C144 H288 K8 N16 Ni4 O48 Pb40 -","4","0.5","","Esenturk, Emren N; Fettinger, James; Eichhorn, Bryan","The Pb12(2-) and Pb10(2-) zintl ions and the M@Pb12(2-) and M@Pb10(2-) cluster series where M = Ni, Pd, Pt.","Journal of the American Chemical Society","2006","128","28","9178","9186","10.1021/ja061842m","","","0.71073","MoKα","","0.0827","0.0582","","","0.1645","0.1764","","","","","","1.06","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101306","7.2276","0.0013","9.3724","0.0017","10.3744","0.0018","90","","92.231","0.003","90","","702.2","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C32 H48 O4 -","2","1","","McFadden, Ryan M; Stoltz, Brian M","The catalytic enantioselective, protecting group-free total synthesis of (+)-dichroanone.","Journal of the American Chemical Society","2006","128","24","7738","7739","10.1021/ja061853f","","","0.71073","MoKα","","0.0528","0.0417","","","0.0708","0.0729","","","","","","1.379","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101307","9.1287","0.0003","9.1287","0.0003","6.4903","0.0005","90","","90","","120","","468.4","0.04","293","","293","","","","210000","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.6984","MoKα","","0.0554","0.0458","","0.0602","0.0581","0.0581","","","","","","1.1296","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101308","9.0893","0.0004","9.0893","0.0004","6.4724","0.0007","90","","90","","120","","463.08","0.06","293","","293","","","","380000","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.6984","MoKα","","0.0623","0.052","","0.0609","0.0563","0.0563","","","","","","1.1458","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101309","8.9326","0.0002","8.9326","0.0002","6.401","0.0004","90","","90","","120","","442.32","0.03","293","","293","","","","1220000","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.71073","MoKα","","0.0591","0.0456","","0.0584","0.0524","0.0524","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101310","8.8728","0.0008","8.8728","0.0008","6.362","0.0014","90","","90","","120","","433.76","0.11","293","","293","","","","1700000","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.6984","MoKα","","0.1112","0.0696","","0.1104","0.0891","0.0891","","","","","","1.1377","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101311","9.0215","0.0006","9.0215","0.0006","6.4395","0.001","90","","90","","120","","453.88","0.08","293","","293","","","","680000","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.6984","MoKα","","0.068","0.0557","","0.0715","0.059","0.059","","","","","","1.1506","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101312","9.188","0.0013","9.188","0.0013","6.523","0.0013","90","","90","","120","","476.89","0.13","293","","293","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.6984","MoKα","","0.0516","0.0433","","0.0583","0.0563","0.0567","","","","","","1.0572","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101313","7.4815","0.0006","7.8984","0.0005","9.0478","0.0007","90","","90","","90","","534.65","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- B2 O7 Se2 -","- B2 O7 Se2 -","- B8 O28 Se8 -","4","1","","Kong, Fang; Huang, Shu-Ping; Sun, Zhong-Ming; Mao, Jiang-Gao; Cheng, Wen-Dan","Se2(B2O7): a new type of second-order NLO material.","Journal of the American Chemical Society","2006","128","24","7750","7751","10.1021/ja0620991","","","0.71073","MoKα","","0.0513","0.0416","","","0.0708","0.0741","","","","","","1.158","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101314","7.29","0.004","30.69","0.006","6.7","0.003","90","","100.38","0.04","90","","1474","1","293.2","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H12 Cl4 Ga S4 Se8 -","- C16 H12 Cl4 Ga S4 Se8 -","- C32 H24 Cl8 Ga2 S8 Se16 -","2","0.5","","Endo, Hisataka; Kawamoto, Tadashi; Mori, Takehiko; Terasaki, Ichiro; Kakiuchi, Toru; Sawa, Hiroshi; Kodani, Mie; Takimiya, Kazuo; Otsubo, Tetsuo","Current-induced metallic state in an organic (EDT-TSF)2GaCl4 conductor.","Journal of the American Chemical Society","2006","128","28","9006","9007","10.1021/ja062277q","","","0.7107","MoKα","","","0.0374","","","","0.1155","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101315","7.29","0.005","30.655","0.004","6.696","0.002","90","","100.42","0.04","90","","1471","1","293.2","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H12 Cl4 Fe S4 Se8 -","- C16 H12 Cl4 Fe S4 Se8 -","- C32 H24 Cl8 Fe2 S8 Se16 -","2","0.5","","Endo, Hisataka; Kawamoto, Tadashi; Mori, Takehiko; Terasaki, Ichiro; Kakiuchi, Toru; Sawa, Hiroshi; Kodani, Mie; Takimiya, Kazuo; Otsubo, Tetsuo","Current-induced metallic state in an organic (EDT-TSF)2GaCl4 conductor.","Journal of the American Chemical Society","2006","128","28","9006","9007","10.1021/ja062277q","","","0.7107","MoKα","","","0.0378","","","","0.1188","","","","","","1.372","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101316","16.949","0.003","10.207","0.002","27.236","0.005","90","","95.64","0.03","90","","4688.8","1.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 N O4 P2 Pd S -","- C57 H55 N O4 P2 Pd S -","- C228 H220 N4 O16 P8 Pd4 S4 -","4","1","","Fujita, Ken-ichi; Yamashita, Makoto; Puschmann, Florian; Alvarez-Falcon, Miguel Martinez; Incarvito, Christopher D; Hartwig, John F","Organometallic chemistry of amidate complexes. accelerating effect of bidentate ligands on the reductive elimination of N-aryl amidates from palladium(II).","Journal of the American Chemical Society","2006","128","28","9044","9045","10.1021/ja062333n","","","0.71073","MoKα","","0.101","0.0489","","","0.0931","0.1053","","","","","","1","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101317","12.597","0.003","10.484","0.002","22.535","0.005","90","","102.56","0.03","90","","2904.9","1","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Fe N O P Pd -","- C32 H40 Fe N O P Pd -","- C128 H160 Fe4 N4 O4 P4 Pd4 -","4","1","","Fujita, Ken-ichi; Yamashita, Makoto; Puschmann, Florian; Alvarez-Falcon, Miguel Martinez; Incarvito, Christopher D; Hartwig, John F","Organometallic chemistry of amidate complexes. accelerating effect of bidentate ligands on the reductive elimination of N-aryl amidates from palladium(II).","Journal of the American Chemical Society","2006","128","28","9044","9045","10.1021/ja062333n","","","0.71073","MoKα","","0.0626","0.0344","","","0.0697","0.0773","","","","","","1.011","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101318","10.044","0.002","12.385","0.003","14.483","0.003","114.4","0.03","98.26","0.03","102.83","0.03","1542.6","0.5","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H42 Fe N O2 P Pd S -","- C32 H42 Fe N O2 P Pd S -","- C64 H84 Fe2 N2 O4 P2 Pd2 S2 -","2","1","","Fujita, Ken-ichi; Yamashita, Makoto; Puschmann, Florian; Alvarez-Falcon, Miguel Martinez; Incarvito, Christopher D; Hartwig, John F","Organometallic chemistry of amidate complexes. accelerating effect of bidentate ligands on the reductive elimination of N-aryl amidates from palladium(II).","Journal of the American Chemical Society","2006","128","28","9044","9045","10.1021/ja062333n","","","0.71073","MoKα","","0.0989","0.044","","","0.0688","0.0809","","","","","","0.956","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101319","9.0464","0.0008","9.7954","0.0008","17.4231","0.0016","82.06","0.02","81.058","0.014","75.71","0.019","1469.9","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","bis-cyclophane","cis,cis-(4',4"")(5',5"")-bis(pentamethylenedithio)- {9,10-bis(1',3'-dithiol-2'-ylidene)anthracene}","","- C30 H28 S8 -","- C30 H28 S8 -","- C60 H56 S16 -","2","1","","Christensen, Christian A; Batsanov, Andrei S; Bryce, Martin R","Extreme conformational constraints in pi-extended tetrathiafulvalenes: unusual topologies and redox behavior of doubly and triply bridged cyclophanes.","Journal of the American Chemical Society","2006","128","32","10484","10490","10.1021/ja062358m","","","0.71073","MoKα","","0.0626","0.0432","","","0.0887","0.0967","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101320","17.1006","0.0016","12.3124","0.0011","18.1867","0.0016","90","","113.14","0.01","90","","3521.1","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","cis,cis-(4',4"")(5',5"")-bis(pentamethylenedithio)- {9,10-bis(1',3'-dithiol-2'-ylidene)anthracene}, toluene solvate","","- C37 H36 S8 -","- C37 H36 S8 -","- C148 H144 S32 -","4","0.5","","Christensen, Christian A; Batsanov, Andrei S; Bryce, Martin R","Extreme conformational constraints in pi-extended tetrathiafulvalenes: unusual topologies and redox behavior of doubly and triply bridged cyclophanes.","Journal of the American Chemical Society","2006","128","32","10484","10490","10.1021/ja062358m","","","0.71073","MoKα","","0.0492","0.0418","","","0.0969","0.1011","","","","","","1.147","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101321","9.1056","0.0007","19.1969","0.0016","16.1399","0.0011","90","","93.89","0.01","90","","2814.7","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","cis,cis-(4',4"")(5',5"")-bis(tetramethylenedithio)- {9,10-bis(1',3'-dithiol-2'-ylidene)anthracene}","","- C28 H24 S8 -","- C28 H24 S8 -","- C112 H96 S32 -","4","1","","Christensen, Christian A; Batsanov, Andrei S; Bryce, Martin R","Extreme conformational constraints in pi-extended tetrathiafulvalenes: unusual topologies and redox behavior of doubly and triply bridged cyclophanes.","Journal of the American Chemical Society","2006","128","32","10484","10490","10.1021/ja062358m","","","0.71073","MoKα","","0.0498","0.0428","","","0.0973","0.1009","","","","","","1.115","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101322","11.6582","0.0009","16.0938","0.0013","25.285","0.002","90","","97.11","0.01","90","","4707.6","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl4 O6 S8 -","- C44 H42 Cl4 O6 S8 -","- C176 H168 Cl16 O24 S32 -","4","1","","Christensen, Christian A; Batsanov, Andrei S; Bryce, Martin R","Extreme conformational constraints in pi-extended tetrathiafulvalenes: unusual topologies and redox behavior of doubly and triply bridged cyclophanes.","Journal of the American Chemical Society","2006","128","32","10484","10490","10.1021/ja062358m","","","0.71073","MoKα","","0.0547","0.0424","","","0.0968","0.104","","","","","","1.066","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101323","13.782","0.012","12.776","0.011","21.606","0.019","90","","96.037","0.016","90","","3783","6","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29.85 H59.55 Al2 Cl2.15 Cr N S2 -","- C29.85 H59.55 Al2 Cl2.15 Cr N S2 -","- C119.4 H238.2 Al8 Cl8.6 Cr4 N4 S8 -","4","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.1176","0.0734","","","0.1659","0.1848","","","","","","1.042","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101324","10.8236","0.0018","29.167","0.005","11.75","0.002","90","","104.261","0.003","90","","3595.1","1","198","2","198","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H43 Al Cl6 Cr N S2 -","- C26.5 H43 Al Cl6 Cr N S2 -","- C106 H172 Al4 Cl24 Cr4 N4 S8 -","4","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.105","0.0684","","","0.1643","0.1875","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101325","7.4228","0.0016","25.919","0.006","16.281","0.003","90","","92.681","0.004","90","","3128.9","1.2","198","2","198","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H39 Al Cl6 Cr N O S2 -","- C20 H39 Al Cl6.01 Cr N O S2 -","- C80 H156 Al4 Cl24.04 Cr4 N4 O4 S8 -","4","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.1205","0.0676","","","0.1262","0.1459","","","","","","1.04","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101326","9.467","0.005","11.999","0.007","17.895","0.01","83.573","0.01","81.026","0.01","67.885","0.009","1857.1","1.8","207","2","207","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H30 Al3 Cl12 Cr N S2 -","- C16 H30 Al3 Cl12 Cr N S2 -","- C32 H60 Al6 Cl24 Cr2 N2 S4 -","2","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.1278","0.0969","","","0.2271","0.2477","","","","","","1.069","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101327","10.987","0.004","12.816","0.005","13.475","0.005","67.23","0.006","83.158","0.006","66.385","0.006","1601.7","1","208","2","208","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H49 Al Cl3 Cr N S2 -","- C24 H49 Al Cl3 Cr N S2 -","- C48 H98 Al2 Cl6 Cr2 N2 S4 -","2","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.1444","0.0727","","","0.1481","0.1799","","","","","","0.911","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101328","11.198","0.007","20.051","0.015","12.262","0.009","90","","115.98","0.03","90","","2475","3","208","2","208","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H39 Cl2 Cr N O S2 -","- C20 H39 Cl2 Cr N O S2 -","- C80 H156 Cl8 Cr4 N4 O4 S8 -","4","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.1402","0.0642","","","0.1173","0.1422","","","","","","1.012","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101329","8.019","0.003","8.794","0.004","14.224","0.006","79.18","0.03","78.75","0.06","85.58","0.04","965.5","0.7","209","2","209","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 Cl Cr N S2 -","- C16 H30 Cl Cr N S2 -","- C32 H60 Cl2 Cr2 N2 S4 -","2","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.061","0.0397","","","0.0671","0.072","","","","","","1.012","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101330","11.115","0.004","13.567","0.005","15.758","0.005","103.462","0.007","92.753","0.007","109.525","0.006","2157.4","1.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31.5 Dy Fe N14.5 O26 -","- C28 H28 Dy Fe N14.93 O26 -","- C56 H56 Dy2 Fe2 N29.86 O52 -","2","1","","Ferbinteanu, Marilena; Kajiwara, Takashi; Choi, Kwang-Yong; Nojiri, Hiroyuki; Nakamoto, Akio; Kojima, Norimichi; Cimpoesu, Fanica; Fujimura, Yuichi; Takaishi, Shinya; Yamashita, Masahiro","A binuclear Fe(III)Dy(III) single molecule magnet. Quantum effects and models.","Journal of the American Chemical Society","2006","128","28","9008","9009","10.1021/ja062399i","","","0.71073","MoKα","","0.0603","0.0518","","","0.1272","0.1315","","","","","","1.137","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101331","10.671","0.0016","12.0211","0.0018","13.823","0.002","78.04","0.003","78.255","0.003","70.89","0.003","1621.4","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","03038a","","","- C39 H47 N5 -","- C39 H47 N5 -","- C78 H94 N10 -","2","1","","Rosenthal, Joel; Hodgkiss, Justin M; Young, Elizabeth R; Nocera, Daniel G","Spectroscopic determination of proton position in the proton-coupled electron transfer pathways of donor-acceptor supramolecule assemblies.","Journal of the American Chemical Society","2006","128","32","10474","10483","10.1021/ja062430g","","","0.71073","MoKα","","0.0746","0.0516","","","0.1343","0.1533","","","","","","1.028","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101332","10.0768","0.0014","10.4422","0.0007","12.5172","0.0008","109.267","0.002","106.75","0.003","96.752","0.003","1157.17","0.19","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 O8 -","- C28 H28 O8 -","- C56 H56 O16 -","2","1","","Gerard, Baudouin; Sangji, Sheharbano; O'Leary, Daniel J; Porco, Jr, John A","Enantioselective photocycloaddition mediated by chiral Brønsted acids: asymmetric synthesis of the rocaglamides.","Journal of the American Chemical Society","2006","128","24","7754","7755","10.1021/ja062621j","","","0.71073","MoKα","","0.0507","0.036","","","0.0934","0.0991","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101333","25.603","0.0013","16.0366","0.001","27.6197","0.0016","90","","99.148","0.002","90","","11196","1.1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C125 H90 Cl6 O8 -","- C125 H90 Cl6 O8 -","- C500 H360 Cl24 O32 -","4","1","","Gerard, Baudouin; Sangji, Sheharbano; O'Leary, Daniel J; Porco, Jr, John A","Enantioselective photocycloaddition mediated by chiral Brønsted acids: asymmetric synthesis of the rocaglamides.","Journal of the American Chemical Society","2006","128","24","7754","7755","10.1021/ja062621j","","","0.71073","MoKα","","0.0912","0.0768","","","0.2166","0.2298","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101334","10.2354","0.0006","18.0628","0.001","16.1878","0.0009","90","","103.189","0.003","90","","2913.9","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C73 H50 O4 -","- C73 H50 O4 -","- C146 H100 O8 -","2","1","","Gerard, Baudouin; Sangji, Sheharbano; O'Leary, Daniel J; Porco, Jr, John A","Enantioselective photocycloaddition mediated by chiral Brønsted acids: asymmetric synthesis of the rocaglamides.","Journal of the American Chemical Society","2006","128","24","7754","7755","10.1021/ja062621j","","","0.71073","MoKα","","0.0506","0.0453","","","0.1207","0.1237","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101335","17.495","0.0018","17.495","0.0018","18.5306","0.0019","90","","90","","90","","5671.8","1","150","2","150","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C74 H98 N24 O22 V10 -","- C74 H16 N24 O22 V10 -","- C148 H32 N48 O44 V20 -","2","0.0625","","Laye, Rebecca H; Wei, Qiang; Mason, Pamela V; Shanmugam, Maheswaran; Teat, Simon J; Brechin, Euan K; Collison, David; McInnes, Eric J L","A highly reduced vanadium(III/IV) polyoxovanadate comprising an octavanadyl square-prism surrounding a dimetallic vanadium(III) fragment.","Journal of the American Chemical Society","2006","128","28","9020","9021","10.1021/ja062723+","","","0.6778","synchrotron","","0.0889","0.0783","","","0.2658","0.2826","","","","","","1.132","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101336","9.918","0.002","13.261","0.003","17.723","0.004","90","","95.05","0.03","90","","2321.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 Pd2 -","- C26 H22 N2 O4 Pd2 -","- C104 H88 N8 O16 Pd8 -","4","1","","Thu, Hung-Yat; Yu, Wing-Yiu; Che, Chi-Ming","Intermolecular amidation of unactivated sp2 and sp2 C-H bonds via palladium-catalyzed cascade C-H activation/nitrene insertion.","Journal of the American Chemical Society","2006","128","28","9048","9049","10.1021/ja062856v","","","0.71073","MoKα","","0.0471","0.0265","","","0.0562","0.0589","","","","","","0.833","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101337","10.356","0.002","17.055","0.003","7.401","0.0015","90","","95.65","0.03","90","","1300.8","0.5","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F3 N2 O -","- C14 H11 F3 N2 O -","- C56 H44 F12 N8 O4 -","4","1","","Thu, Hung-Yat; Yu, Wing-Yiu; Che, Chi-Ming","Intermolecular amidation of unactivated sp2 and sp2 C-H bonds via palladium-catalyzed cascade C-H activation/nitrene insertion.","Journal of the American Chemical Society","2006","128","28","9048","9049","10.1021/ja062856v","","","0.71073","MoKα","","0.0857","0.0589","","","0.1734","0.1868","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101338","11.7556","0.0005","13.8565","0.0006","17.1139","0.0009","90","","106.66","0.001","90","","2670.7","0.2","141","1","141","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H42 I2 N2 O3 U -","- C20 H42 I2 N2 O3 U -","- C80 H168 I8 N8 O12 U4 -","4","0.5","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0187","0.0168","","","0.0424","0.0427","","","","","","1.21","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101339","9.1025","0.0006","17.4883","0.0011","43.339","0.003","90","","90","","90","","6899","0.8","141","1","141","1","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C28 H30 F12 I2 N2 O3 U -","- C28 H30 F12 I2 N2 O3 U -","- C224 H240 F96 I16 N16 O24 U8 -","8","2","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0543","0.0388","","","0.0841","0.0936","","","","","","0.793","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101340","16.6844","0.0006","13.7864","0.0005","18.5403","0.0007","90","","90.311","0.001","90","","4264.5","0.3","141","1","141","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H66 I2 N2 O4 U -","- C40 H66 I2 N2 O4 U -","- C160 H264 I8 N8 O16 U4 -","4","1","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0452","0.0298","","","0.0643","0.0685","","","","","","1.061","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101341","8.2887","0.0007","15.6397","0.0012","9.7391","0.0008","90","","108.495","0.001","90","","1197.3","0.17","141","1","141","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 I2 N4 U -","- C18 H28 I2 N4 U -","- C36 H56 I4 N8 U2 -","2","0.5","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0236","0.0174","","","0.0368","0.0376","","","","","","1.021","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101342","11.7915","0.0014","20.984","0.003","18.416","0.002","90","","100.172","0.002","90","","4485.2","0.9","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 I2 N2 O2 P2 U -","- C44 H48 I2 N2 O2 P2 U -","- C176 H192 I8 N8 O8 P8 U4 -","4","1","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0417","0.026","","","0.0484","0.0522","","","","","","1.164","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101343","23.516","0.003","23.516","","10.6177","0.0014","90","","90","","90","","5871.7","1.1","203","2","203","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C18 H44 I2 N2 O P2 U -","- C18 H14 I2 N2 O P2 U -","- C144 H112 I16 N16 O8 P16 U8 -","8","1","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0449","0.0344","","","0.0753","0.0773","","","","","","1.595","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101344","13.224","0.002","16.179","0.003","15.338","0.003","90","","98.158","0.003","90","","3248.2","1","203","2","203","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 Cl2 F6 N2 O8 S2 U -","- C23 H28 Cl2 F6 N2 O8 S2 U -","- C92 H112 Cl8 F24 N8 O32 S8 U4 -","4","1","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0611","0.0309","","","0.0541","0.0604","","","","","","1.096","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101345","3.9686","0.0001","3.9686","","19.3154","0.0006","90","","90","","90","","304.21","0.01","","","298","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- La3 Ni2 O6 -","- La3 Ni2 O6 -","- La6 Ni4 O12 -","2","0.0625","","Poltavets, Viktor V; Lokshin, Konstantin A; Dikmen, Sibel; Croft, Mark; Egami, Takeshi; Greenblatt, Martha","La3Ni2O6: a new double T'-type nickelate with infinite Ni1+/2+O2 layers.","Journal of the American Chemical Society","2006","128","28","9050","9051","10.1021/ja063031o","powder diffraction","neutron","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101346","8.3346","0.0008","8.4671","0.0008","14.5068","0.0014","84.83","0.005","85.483","0.005","68.227","0.004","945.7","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Compound 2A","","","- C20 H33 Mo N O -","- C20 H33 Mo N O -","- C40 H66 Mo2 N2 O2 -","2","1","","Graham, Peter M; Buschhaus, Miriam S A; Legzdins, Peter","Intramolecular C-H activation reactions of molybdenacyclobutanes.","Journal of the American Chemical Society","2006","128","28","9038","9039","10.1021/ja063249a","","","0.71073","MoKα","","0.0239","0.0204","","","0.0525","0.0535","","","","","","1.068","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101347","8.9342","0.0011","13.7757","0.0016","16.5414","0.0008","90","","101.191","0.007","90","","1997.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 3C","","","- C21 H33 Mo N O -","- C21 H33 Mo N O -","- C84 H132 Mo4 N4 O4 -","4","1","","Graham, Peter M; Buschhaus, Miriam S A; Legzdins, Peter","Intramolecular C-H activation reactions of molybdenacyclobutanes.","Journal of the American Chemical Society","2006","128","28","9038","9039","10.1021/ja063249a","","","0.71073","MoKα","","0.0416","0.0291","","","0.0667","0.0713","","","","","","1.069","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101348","19.614","0.002","17.1143","0.0017","15.5191","0.0017","90","","118.88","0.004","90","","4561.5","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 5B","","","- C23 H39 Mo N O -","- C23 H39 Mo N O -","- C184 H312 Mo8 N8 O8 -","8","1","","Graham, Peter M; Buschhaus, Miriam S A; Legzdins, Peter","Intramolecular C-H activation reactions of molybdenacyclobutanes.","Journal of the American Chemical Society","2006","128","28","9038","9039","10.1021/ja063249a","","","0.71073","MoKα","","0.0355","0.0253","","","0.0567","0.0591","","","","","","1.021","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101349","10.574","0.002","15.982","0.003","10.753","0.002","90","","92.79","0.03","90","","1815.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 N O8 S -","- C14 H25 N O8 S -","- C56 H100 N4 O32 S4 -","4","1","","Schnermann, Martin J; Romero, F Anthony; Hwang, Inkyu; Nakamaru-Ogiso, Eiko; Yagi, Takao; Boger, Dale L","Total synthesis of piericidin A1 and B1 and key analogues.","Journal of the American Chemical Society","2006","128","36","11799","11807","10.1021/ja0632862","","","0.71073","MoKα","","0.0675","0.0562","","","0.1389","0.1458","","","","","","1.12","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101350","15.341","0.003","8.307","0.0017","15.902","0.003","90","","92.24","0.03","90","","2025","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 N O4 Si -","- C18 H33 N O4 Si -","- C72 H132 N4 O16 Si4 -","4","1","","Schnermann, Martin J; Romero, F Anthony; Hwang, Inkyu; Nakamaru-Ogiso, Eiko; Yagi, Takao; Boger, Dale L","Total synthesis of piericidin A1 and B1 and key analogues.","Journal of the American Chemical Society","2006","128","36","11799","11807","10.1021/ja0632862","","","0.71073","MoKα","","0.0781","0.0653","","","0.1627","0.1706","","","","","","1.156","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101351","5.936","0.0002","10.2325","0.0004","22.8396","0.001","90","","90","","90","","1387.28","0.09","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O2 S -","- C17 H14 O2 S -","- C68 H56 O8 S4 -","4","1","","Wang, Wei; Li, Hao; Wang, Jian; Zu, Liansuo","Enantioselective organocatalytic tandem Michael-Aldol reactions: one-pot synthesis of chiral thiochromenes.","Journal of the American Chemical Society","2006","128","32","10354","10355","10.1021/ja063328m","","","0.71073","MoKα","","0.0464","0.0403","","","0.1116","0.1221","","","","","","1.085","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101352","12.9214","0.0019","17.031","0.002","13.687","0.002","90","","104.194","0.003","90","","2920","0.7","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C27 H35 I2 N3 Ni -","- C27 H35 I2 N3 Ni -","- C108 H140 I8 N12 Ni4 -","4","1","","Jones, Gavin D; Martin, Jason L; McFarland, Chris; Allen, Olivia R; Hall, Ryan E; Haley, Aireal D; Brandon, R Jacob; Konovalova, Tatyana; Desrochers, Patrick J; Pulay, Peter; Vicic, David A","Ligand redox effects in the synthesis, electronic structure, and reactivity of an alkyl-alkyl cross-coupling catalyst.","Journal of the American Chemical Society","2006","128","40","13175","13183","10.1021/ja063334i","","","0.7107","MoKα","","0.0368","0.0319","","","0.0811","0.0849","","","","","","1.076","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101353","24.7394","0.0001","13.3588","0.0006","19.2393","0.0005","90","","114.79","0.002","90","","5772.5","0.3","225","2","225","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cl3 N5 O2 -","- C22 H24 Cl3 N5 O2 -","- C176 H192 Cl24 N40 O16 -","8","1","","Lebel, Olivier; Maris, Thierry; Perron, Marie-Eve; Demers, Eric; Wuest, James D","The dark side of crystal engineering: creating glasses from small symmetric molecules that form multiple hydrogen bonds.","Journal of the American Chemical Society","2006","128","32","10372","10373","10.1021/ja063353s","","","0.71073","MoKα","","0.1247","0.0701","","","0.1973","0.2238","","","","","","1.035","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4101354","19.775","0.004","19.775","0.004","29.273","0.007","90","","90","","120","","9914","4","128","2","128","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C69.5 H85.1 Cl1.5 N3 O9 -","- C69.398 H63.5 Cl1.5 N3 O9 -","- C416.388 H381 Cl9 N18 O54 -","6","0.333333","","Jiang, Xuan; Bollinger, John C; Lee, Dongwhan","Two-dimensional electronic conjugation: cooperative folding and fluorescence switching.","Journal of the American Chemical Society","2006","128","36","11732","11733","10.1021/ja063413u","","","0.71073","MoKα","","0.114","0.0671","","","0.1385","0.1652","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101355","25.4387","0.0005","25.4387","0.0005","25.4387","0.0005","90","","90","","90","","16462.1","0.6","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-9","","","- C64 H32 Co4 N8 O17 -","- C64 H32 Co4 N8 O17 -","- C384 H192 Co24 N48 O102 -","6","0.0625","","Ma, Shengqian; Zhou, Hong-Cai","A metal-organic framework with entatic metal centers exhibiting high gas adsorption affinity.","Journal of the American Chemical Society","2006","128","36","11734","11735","10.1021/ja063538z","","","0.71073","MoKα","","0.1233","0.1031","","","0.3066","0.3196","","","","","","1.218","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101356","21.3799","0.0007","24.3158","0.0014","18.4091","0.001","90","","90","","90","","9570.3","0.8","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C90 H124 N12 O26 Ru6 -","- C90 H96 N12 O26 Ru6 -","- C360 H384 N48 O104 Ru24 -","4","1","","Grote, Zacharias; Bonazzi, Simone; Scopelliti, Rosario; Severin, Kay","Bridged dihydroxypyridine ligands for the synthesis of expanded helicates.","Journal of the American Chemical Society","2006","128","32","10382","10383","10.1021/ja0637806","","","0.71073","MoKα","","0.0699","0.0416","","","0.0683","0.0744","","","","","","0.794","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101357","24.471","0.005","14.566","0.003","31.674","0.006","90","","91.08","0.03","90","","11288","4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C90 H154 N12 O38 Ru6 -","- C90 H102 N12 O38 Ru6 -","- C360 H408 N48 O152 Ru24 -","4","0.5","","Grote, Zacharias; Bonazzi, Simone; Scopelliti, Rosario; Severin, Kay","Bridged dihydroxypyridine ligands for the synthesis of expanded helicates.","Journal of the American Chemical Society","2006","128","32","10382","10383","10.1021/ja0637806","","","0.71073","MoKα","","0.1567","0.0868","","","0.1933","0.2397","","","","","","1.091","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101358","25.758","0.002","25.758","0.002","25.758","0.002","90","","90","","90","","17091","2","140","2","140","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C147 H229 N15 O17 Rh6 -","- C147 H174 N15 O17 Rh6 -","- C588 H696 N60 O68 Rh24 -","4","0.333333","","Grote, Zacharias; Bonazzi, Simone; Scopelliti, Rosario; Severin, Kay","Bridged dihydroxypyridine ligands for the synthesis of expanded helicates.","Journal of the American Chemical Society","2006","128","32","10382","10383","10.1021/ja0637806","","","0.7107","MoKα","","0.1697","0.1346","","","0.3297","0.3625","","","","","","1.166","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101359","13.8629","0.0016","13.8629","0.0016","13.8629","0.0016","90","","90","","90","","2664.2","0.5","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Mg0.18 Sc3 Zn17.73 -","- Mg0.1815 Sc3 Zn17.7275 -","- Mg1.452 Sc24 Zn141.82 -","8","0.166667","","Lin, Qisheng; Corbett, John D","The 1/1 and 2/1 approximants in the Sc-Mg-Zn quasicrystal system: triacontahedral clusters as fundamental building blocks.","Journal of the American Chemical Society","2006","128","40","13268","13273","10.1021/ja063897u","","","0.71073","MoKα","","0.032","0.0264","","","0.0564","0.058","","","","","","1.056","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101360","22.412","0.002","22.412","0.002","22.412","0.002","90","","90","","90","","11257.5","1.7","293","2","293","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Mg2.52 Sc11.18 Zn73.61 -","- Mg2.535 Sc11.17 Zn73.612 -","- Mg20.28 Sc89.36 Zn588.896 -","8","0.333333","","Lin, Qisheng; Corbett, John D","The 1/1 and 2/1 approximants in the Sc-Mg-Zn quasicrystal system: triacontahedral clusters as fundamental building blocks.","Journal of the American Chemical Society","2006","128","40","13268","13273","10.1021/ja063897u","","","0.71073","MoKα","","0.1326","0.0663","","","0.1201","0.144","","","","","","1.016","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101361","6.238","0.004","7.844","0.004","18.827","0.012","90","","94.98","0.03","90","","917.7","0.9","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C44 H46 N2 O4 S2 -","2","1","","Shibata, Takanori; Tahara, Yu-ki","Enantioselective intramolecular [2 + 2 + 2] cycloaddition of 1,4-diene-ynes: a new approach to the construction of quaternary carbon stereocenters.","Journal of the American Chemical Society","2006","128","36","11766","11767","10.1021/ja0639160","","","0.71075","MoKα","","","0.1042","","","","0.3045","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101362","22.055","0.005","12.648","0.003","27.807","0.007","90","","98.3576","0.0011","90","","7674","3","123.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H41 Cl2 N2 P Pd S -","- C46 H41 Cl2 N2 P Pd S -","- C368 H328 Cl16 N16 P8 Pd8 S8 -","8","1","","Matano, Yoshihiro; Miyajima, Tooru; Nakabuchi, Takashi; Imahori, Hiroshi; Ochi, Noriaki; Sakaki, Shigeyoshi","Phosphorus-containing hybrid calixphyrins: promising mixed-donor ligands for visible and efficient palladium catalysts.","Journal of the American Chemical Society","2006","128","36","11760","11761","10.1021/ja0640039","","","0.7107","MoKα","","","0.0496","","","","0.1276","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101363","26.188","0.005","10.1923","0.0017","31.765","0.006","90","","112.779","0.0005","90","","7817","2","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H82 Cl4 N4 P2 S2 -","- C92 H84 Cl4 N4 P2 S2 -","- C368 H336 Cl16 N16 P8 S8 -","4","1","","Matano, Yoshihiro; Miyajima, Tooru; Nakabuchi, Takashi; Imahori, Hiroshi; Ochi, Noriaki; Sakaki, Shigeyoshi","Phosphorus-containing hybrid calixphyrins: promising mixed-donor ligands for visible and efficient palladium catalysts.","Journal of the American Chemical Society","2006","128","36","11760","11761","10.1021/ja0640039","","","0.7107","MoKα","","","0.0903","","","","0.1523","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101364","9.7554","0.0013","10.0375","0.0014","19.968","0.003","87.666","0.002","77.183","0.002","85.699","0.002","1900.6","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H49 Cl2 F4 N2 P Ru -","- C40 H49 Cl2 F4 N2 P Ru -","- C80 H98 Cl4 F8 N4 P2 Ru2 -","2","1","","Ritter, Tobias; Day, Michael W; Grubbs, Robert H","Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.","Journal of the American Chemical Society","2006","128","36","11768","11769","10.1021/ja064091x","","","0.71073","MoKα","","0.1046","0.0642","","","0.1203","0.1289","","","","","","1.32","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101365","15.8715","0.0004","13.4827","0.0004","11.2212","0.0003","90","","90.146","0.001","90","","2401.22","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl2 F4 N2 O Ru -","- C25 H22 Cl2 F4 N2 O Ru -","- C100 H88 Cl8 F16 N8 O4 Ru4 -","4","1","","Ritter, Tobias; Day, Michael W; Grubbs, Robert H","Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.","Journal of the American Chemical Society","2006","128","36","11768","11769","10.1021/ja064091x","","","0.71073","MoKα","","0.0602","0.0353","","","0.0677","0.0717","","","","","","1.174","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101366","15.9798","0.0006","16.9461","0.0006","39.4746","0.0015","90","","98.185","0.001","90","","10580.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl6 N2 O Ru -","- C25 H22 Cl6 N2 O Ru -","- C400 H352 Cl96 N32 O16 Ru16 -","16","4","","Ritter, Tobias; Day, Michael W; Grubbs, Robert H","Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.","Journal of the American Chemical Society","2006","128","36","11768","11769","10.1021/ja064091x","","","0.71073","MoKα","","0.1773","0.1004","","","0.1215","0.1363","","","","","","1.621","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101367","14.8554","0.0006","17.3381","0.0007","19.4448","0.0008","102.681","0.001","97.261","0.001","93.09","0.001","4829.7","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H58 Cl6 F4 N3 O3 P Ru -","- C45 H58 Cl6 F4 N3 O3 P Ru -","- C180 H232 Cl24 F16 N12 O12 P4 Ru4 -","4","2","","Ritter, Tobias; Day, Michael W; Grubbs, Robert H","Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.","Journal of the American Chemical Society","2006","128","36","11768","11769","10.1021/ja064091x","","","0.71073","MoKα","","0.086","0.0454","","","0.0724","0.0772","","","","","","1.562","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101368","27.2151","0.0008","27.2151","0.0008","10.5174","0.0004","90","","90","","90","","7789.8","0.4","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C42 H36.5 Cl2 F8 N4 O1.25 Ru -","- C42 H36.5 Cl2 F8 N4 O1.25 Ru -","- C336 H292 Cl16 F64 N32 O10 Ru8 -","8","1","","Ritter, Tobias; Day, Michael W; Grubbs, Robert H","Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.","Journal of the American Chemical Society","2006","128","36","11768","11769","10.1021/ja064091x","","","0.71073","MoKα","","0.0771","0.0441","","","0.0685","0.0748","","","","","","0.946","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101369","37.64","0.04","7.498","0.006","14.03","0.01","90","","90","","90","","3960","6","296.1","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C11 H6 Br2 Fe0.5 S5 Se4 -","- C11 H6 Br2 Fe0.5 S5 Se4 -","- C88 H48 Br16 Fe4 S40 Se32 -","8","1","","Hayashi, Toshiki; Xiao, Xunwen; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Fujimoto, Tsutomu; Yasuzuka, Syuma; Yoshino, Harukazu; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko","A metallic (EDT-DSDTFVSDS)2.FeBr4 salt: antiferromagnetic ordering of d spins of FeBr4- ions and anomalous magnetoresistance due to preferential pi-d interaction.","Journal of the American Chemical Society","2006","128","36","11746","11747","10.1021/ja064307v","","","0.7107","MoKα","","","0.057","","","","0.095","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101370","37.766","0.006","7.5021","0.0011","14.043","0.002","90","","90","","90","","3978.7","1","293.1","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C11 H6 Br2 Ga0.5 S5 Se4 -","- C11 H6 Br2 Ga0.5 S5 Se4 -","- C88 H48 Br16 Ga4 S40 Se32 -","8","1","","Hayashi, Toshiki; Xiao, Xunwen; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Fujimoto, Tsutomu; Yasuzuka, Syuma; Yoshino, Harukazu; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko","A metallic (EDT-DSDTFVSDS)2.FeBr4 salt: antiferromagnetic ordering of d spins of FeBr4- ions and anomalous magnetoresistance due to preferential pi-d interaction.","Journal of the American Chemical Society","2006","128","36","11746","11747","10.1021/ja064307v","","","0.7107","MoKα","","","0.054","","","","0.066","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101371","13.177","0.004","18.665","0.006","15.421","0.005","90","","96.982","0.006","90","","3765","2","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pt-B-complex tetrabutylammonium","tetra butylammonium dimethyl-2-dipyridyl-borane bis-phenyl platinum","","- C40 H60 B N3 Pt -","- C40 H60 B N3 Pt -","- C160 H240 B4 N12 Pt4 -","4","1","","Khaskin, Eugene; Zavalij, Peter Y; Vedernikov, Andrei N","Facile arene C-H bond activation and alkane dehydrogenation with anionic LPt(II)Me2- in hydrocarbon-water systems (L = dimethyldi(2-pyridyl)borate).","Journal of the American Chemical Society","2006","128","40","13054","13055","10.1021/ja0643570","","","0.71073","MoKα","","0.0704","0.0383","","","0.079","0.0842","","","","","","1","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101372","11.746","0.002","21.439","0.003","19.87","0.003","90","","101.66","0.02","90","","4900.5","1.3","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H78 Al Mg N3 O3 Si2 -","- C44 H78 Al Mg N3 O3 Si2 -","- C176 H312 Al4 Mg4 N12 O12 Si8 -","4","1","","Nembenna, Sharanappa; Roesky, Herbert W; Mandal, Swadhin K; Oswald, Rainer B; Pal, Aritra; Herbst-Irmer, Regine; Noltemeyer, Mathias; Schmidt, Hans-Georg","Soluble molecular compounds with the Mg-O-Al structural motif: a model approach for the fixation of organometallics on a MgO surface.","Journal of the American Chemical Society","2006","128","40","13056","13057","10.1021/ja064460p","","","0.71073","MoKα","","0.0802","0.0394","","","0.0772","0.0855","","","","","","0.848","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101373","16.067","0.002","23.113","0.002","18.001","0.002","90","","102.06","0.02","90","0.02","6537.3","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H104 Al2 Mg N4 O4 -","- C68 H104 Al2 Mg N4 O4 -","- C272 H416 Al8 Mg4 N16 O16 -","4","1","","Nembenna, Sharanappa; Roesky, Herbert W; Mandal, Swadhin K; Oswald, Rainer B; Pal, Aritra; Herbst-Irmer, Regine; Noltemeyer, Mathias; Schmidt, Hans-Georg","Soluble molecular compounds with the Mg-O-Al structural motif: a model approach for the fixation of organometallics on a MgO surface.","Journal of the American Chemical Society","2006","128","40","13056","13057","10.1021/ja064460p","","","1.54178","CuKα","","0.0679","0.0422","","","0.0941","0.1057","","","","","","1.007","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101374","33.05","0.005","17.903","0.002","13.525","0.002","90","0.0005","105.332","0.0007","90","0.0005","7717.8","1.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H6 Cl F36 O7 P2 Rh -","- C19 H6 Cl F36 O7 P2 Rh -","- C152 H48 Cl8 F288 O56 P16 Rh8 -","8","1","","Yanagisawa, Shuichi; Sudo, Tomoko; Noyori, Ryoji; Itami, Kenichiro","Direct C-H arylation of (hetero)arenes with aryl iodides via rhodium catalysis.","Journal of the American Chemical Society","2006","128","36","11748","11749","10.1021/ja064500p","","","0.7107","MoKα","","0.0503","0.0419","","","0.101","0.1075","","","","","","1.105","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101375","10.392","0.002","7.2494","0.0014","24.22","0.005","90","","98.63","0.03","90","","1804","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 O -","- C23 H21 N2 O -","- C92 H84 N8 O4 -","4","1","","Wang, Ying; Wang, Hongmei; Liu, Yunqi; Di, Chong-An; Sun, Yanming; Wu, Weiping; Yu, Gui; Zhang, Deqing; Zhu, Daoben","1-Imino nitroxide pyrene for high performance organic field-effect transistors with low operating voltage.","Journal of the American Chemical Society","2006","128","40","13058","13059","10.1021/ja064580x","","","0.71073","MoKα","","0.1745","0.0947","","","0.1968","0.2394","","","","","","1.041","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101376","10.3293","0.0002","25.2058","0.0005","13.1798","0.0003","90","","99.941","0.001","90","","3379.95","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C71 H90 B2 Ir2 N14 -","- C71 H90 B2 Ir2 N14 -","- C142 H180 B4 Ir4 N28 -","2","0.5","","Alvarez, Eleuterio; Conejero, Salvador; Paneque, Margarita; Petronilho, Ana; Poveda, Manuel L; Serrano, Oracio; Carmona, Ernesto","Iridium(III)-induced isomerization of 2-substituted pyridines to N-heterocyclic carbenes.","Journal of the American Chemical Society","2006","128","40","13060","13061","10.1021/ja0646592","","","0.71073","MoKα","","0.0219","0.0177","","","0.0403","0.0416","","","","","","1.038","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101377","40.2432","0.0008","10.1628","0.0002","18.6214","0.0004","90","","101.456","0.001","90","","7464.1","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H43 B Cl2 Ir N7 -","- C39 H43 B Cl2 Ir N7 -","- C312 H344 B8 Cl16 Ir8 N56 -","8","1","","Alvarez, Eleuterio; Conejero, Salvador; Paneque, Margarita; Petronilho, Ana; Poveda, Manuel L; Serrano, Oracio; Carmona, Ernesto","Iridium(III)-induced isomerization of 2-substituted pyridines to N-heterocyclic carbenes.","Journal of the American Chemical Society","2006","128","40","13060","13061","10.1021/ja0646592","","","0.71073","MoKα","","0.0437","0.0296","","","0.0601","0.0649","","","","","","1.084","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101378","8.268","0.0005","9.505","0.0003","20.171","0.001","90","","90","","90","","1585.19","0.13","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br N O2 -","- C17 H18 Br N O2 -","- C68 H72 Br4 N4 O8 -","4","1","","Akiyama, Takahiko; Morita, Hisashi; Fuchibe, Kohei","Chiral Brønsted acid-catalyzed inverse electron-demand aza Diels-Alder reaction.","Journal of the American Chemical Society","2006","128","40","13070","13071","10.1021/ja064676r","","","0.71073","MoKα","","0.047","0.0414","","","0.1227","0.1298","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101379","8.208","0.004","9.538","0.01","18.83","0.06","90","","90","","90","","1474","5","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","1","","Akiyama, Takahiko; Morita, Hisashi; Fuchibe, Kohei","Chiral Brønsted acid-catalyzed inverse electron-demand aza Diels-Alder reaction.","Journal of the American Chemical Society","2006","128","40","13070","13071","10.1021/ja064676r","","","0.7107","MoKα","","","0.0699","","","","0.1042","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101380","20.858","0.003","21.39","0.003","8.6191","0.0011","90","","90","","90","","3845.4","0.9","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C32 H63 Cl2 N O Os P2 -","- C32 H63 Cl2 N O Os P2 -","- C128 H252 Cl8 N4 O4 Os4 P8 -","4","0.5","","Esteruelas, Miguel A; Fernandez-Alvarez, Francisco J; Oñate, Enrique","Stabilization of NH tautomers of quinolines by osmium and ruthenium.","Journal of the American Chemical Society","2006","128","40","13044","13045","10.1021/ja064979l","","","0.71073","MoKα","","0.0551","0.0412","","","0.1016","0.1054","","","","","","1.106","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101381","12.2063","0.0005","12.9403","0.0006","20.1081","0.0009","90","","97.084","0.001","90","","3151.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 Cl2 N P2 Ru -","- C28 H51 Cl2 N P2 Ru -","- C112 H204 Cl8 N4 P8 Ru4 -","4","1","","Esteruelas, Miguel A; Fernandez-Alvarez, Francisco J; Oñate, Enrique","Stabilization of NH tautomers of quinolines by osmium and ruthenium.","Journal of the American Chemical Society","2006","128","40","13044","13045","10.1021/ja064979l","","","","MoKα","","0.0577","0.045","","","0.0975","0.1037","","","","","","1.017","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101382","12.1618","0.0018","12.818","0.002","18.106","0.003","90","","102.234","0.002","90","","2758.3","0.7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Ir N2 O2 S -","- C31 H35 Ir N2 O2 S -","- C124 H140 Ir4 N8 O8 S4 -","4","1","","Heiden, Zachariah M; Rauchfuss, Thomas B","Proton-induced lewis acidity of unsaturated iridium amides.","Journal of the American Chemical Society","2006","128","40","13048","13049","10.1021/ja0653831","","","0.71073","MoKα","","0.0731","0.0342","","","0.0633","0.0721","","","","","","0.954","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101383","21.585","0.005","25.611","0.006","15.358","0.004","90","","103.43","0.004","90","","8258","3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73 H75 B F24 Ir N2 O5.5 S -","- C72.9999 H75 B F23.9997 Ir N2 O5.5 S -","- C292 H300 B4 F95.9988 Ir4 N8 O22 S4 -","4","1","","Heiden, Zachariah M; Rauchfuss, Thomas B","Proton-induced lewis acidity of unsaturated iridium amides.","Journal of the American Chemical Society","2006","128","40","13048","13049","10.1021/ja0653831","","","0.71073","MoKα","","0.0907","0.0499","","","0.1151","0.131","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101384","9.723","0.002","10.737","0.003","21.644","0.006","100.49","0.03","90.74","0.03","98.62","0.03","2194.7","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 Cl2 N2 O3 Ru -","- C51 H45 Cl2 N2 O3 Ru -","- C102 H90 Cl4 N4 O6 Ru2 -","2","1","","Samec, Joseph S M; Ell, Alida H; Aberg, Jenny B; Privalov, Timofei; Eriksson, Lars; Bäckvall, Jan-E","Mechanistic study of hydrogen transfer to imines from a hydroxycyclopentadienyl ruthenium hydride. Experimental support for a mechanism involving coordination of imine to ruthenium prior to hydrogen transfer.","Journal of the American Chemical Society","2006","128","44","14293","14305","10.1021/ja061494o","","","0.71073","MoKα","","0.1021","0.0752","","","0.2036","0.2281","","","","","","1.442","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101385","23.9275","0.0007","14.7281","0.0005","25.8285","0.0007","90.033","0.003","91.522","0.002","90.048","0.003","9098.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C102 H90 Cl4 N4 O6 Ru2 -","- C102 H90 Cl4 N4 O6 Ru2 -","- C408 H360 Cl16 N16 O24 Ru8 -","4","1","","Samec, Joseph S M; Ell, Alida H; Aberg, Jenny B; Privalov, Timofei; Eriksson, Lars; Bäckvall, Jan-E","Mechanistic study of hydrogen transfer to imines from a hydroxycyclopentadienyl ruthenium hydride. Experimental support for a mechanism involving coordination of imine to ruthenium prior to hydrogen transfer.","Journal of the American Chemical Society","2006","128","44","14293","14305","10.1021/ja061494o","","","0.71073","MoKα","","0.1167","0.0583","","","0.1562","0.1839","","","","","","1.002","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101386","11.8569","0.0007","19.6421","0.0012","27.9528","0.0018","90","","90","","90","","6510.1","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H34 N3 O3 P -","- C37 H34 N3 O3 P -","- C296 H272 N24 O24 P8 -","8","2","","Liu, Yan; Sandoval, Christian A; Yamaguchi, Yoshiki; Zhang, Xue; Wang, Zheng; Kato, Koichi; Ding, Kuiling","Hydrogen bonding makes a difference in the rhodium-catalyzed enantioselective hydrogenation using monodentate phosphoramidites.","Journal of the American Chemical Society","2006","128","44","14212","14213","10.1021/ja063350f","","","0.71073","MoKα","","0.156","0.0535","","","0.0979","0.1222","","","","","","0.767","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101387","10.918","0.002","16.9","0.004","29.431","0.006","88.622","0.006","83.727","0.005","86.822","0.006","5389","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H39.5 Co K N5.5 O4 -","- C20.0095 H39.5 Co K N5.5 O4 -","- C160.076 H316 Co8 K8 N44 O32 -","8","4","","Lucas, Robie L; Zart, Matthew K; Mukherjee, Jhumpa; Murkerjee, Jhumpa; Sorrell, Thomas N; Powell, Douglas R; Borovik, A S","A modular approach toward regulating the secondary coordination sphere of metal ions: differential dioxygen activation assisted by intramolecular hydrogen bonds.","Journal of the American Chemical Society","2006","128","48","15476","15489","10.1021/ja063935+","","","0.71073","MoKα","","0.1712","0.09","","","0.2258","0.2661","","","","","","1.001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101388","21.116","0.004","10.467","0.002","26.338","0.005","90","","90","","90","","5821.3","1.9","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H47 Co K N6 O4 -","- C19 H37 Co K N6 O3 -","- C152 H296 Co8 K8 N48 O24 -","8","2","","Lucas, Robie L; Zart, Matthew K; Mukherjee, Jhumpa; Murkerjee, Jhumpa; Sorrell, Thomas N; Powell, Douglas R; Borovik, A S","A modular approach toward regulating the secondary coordination sphere of metal ions: differential dioxygen activation assisted by intramolecular hydrogen bonds.","Journal of the American Chemical Society","2006","128","48","15476","15489","10.1021/ja063935+","","","0.71073","MoKα","","0.0655","0.0602","","","0.1486","0.153","","","","","","1.012","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101389","8.568","0.005","10.355","0.006","14.392","0.008","69.514","0.012","84.273","0.012","84.687","0.01","1187.9","1.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Co K N5 O4 -","- C18 H34 Co K N5 O4 -","- C36 H68 Co2 K2 N10 O8 -","2","1","","Lucas, Robie L; Zart, Matthew K; Mukherjee, Jhumpa; Murkerjee, Jhumpa; Sorrell, Thomas N; Powell, Douglas R; Borovik, A S","A modular approach toward regulating the secondary coordination sphere of metal ions: differential dioxygen activation assisted by intramolecular hydrogen bonds.","Journal of the American Chemical Society","2006","128","48","15476","15489","10.1021/ja063935+","","","0.71073","MoKα","","0.1549","0.1214","","","0.3004","0.3221","","","","","","1.009","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101390","11.738","0.003","31.298","0.008","12.271","0.004","90","","116.696","0.005","90","","4028","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H77 Co N7 O4 -","- C32 H67 Co N7 O3 -","- C128 H268 Co4 N28 O12 -","4","1","","Lucas, Robie L; Zart, Matthew K; Mukherjee, Jhumpa; Murkerjee, Jhumpa; Sorrell, Thomas N; Powell, Douglas R; Borovik, A S","A modular approach toward regulating the secondary coordination sphere of metal ions: differential dioxygen activation assisted by intramolecular hydrogen bonds.","Journal of the American Chemical Society","2006","128","48","15476","15489","10.1021/ja063935+","","","0.71073","MoKα","","0.0994","0.0783","","","0.1967","0.2064","","","","","","1.075","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101391","10.2288","0.0004","16.9751","0.0006","30.7998","0.0011","76.139","0.001","80.669","0.002","78.504","0.002","5051.1","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H144 Cl12 N4 Ni O12 Re3 -","- C70 H144 Cl12 N4 Ni O12 Re3 -","- C140 H288 Cl24 N8 Ni2 O24 Re6 -","2","1","","Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Wernsdorfer, Wolfgang; Julve, Miguel; Lloret, Francesc; Faus, Juan","A Heterotetranuclear [NiIIReIV3] single-molecule magnet.","Journal of the American Chemical Society","2006","128","44","14218","14219","10.1021/ja0643873","","","0.71073","MoKα","","0.0949","0.0508","","","0.1352","0.1731","","","","","","0.963","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101392","5.8809","0.0003","16.6533","0.001","16.5795","0.001","90","","99.4","0.001","90","","1601.93","0.16","243","2","243","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Pastine, Stefan J; Gribkov, Denis V; Sames, Dalibor","sp3 C-H bond arylation directed by amidine protecting group: alpha-arylation of pyrrolidines and piperidines.","Journal of the American Chemical Society","2006","128","44","14220","14221","10.1021/ja064481j","","","0.71073","MoKα","","0.0689","0.0418","","","0.1333","0.1543","","","","","","1.036","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101393","12.4027","0.0007","10.128","0.0006","16.9164","0.0011","90","","92.727","0.005","90","","2122.5","0.2","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 B F4 Fe N4 S -","- C17 H31 B F4 Fe N4 S -","- C68 H124 B4 F16 Fe4 N16 S4 -","4","1","","Krishnamurthy, Divya; Kasper, Gary D; Namuswe, Frances; Kerber, William D; Narducci Sarjeant, Amy A; Moënne-Loccoz, Pierre; Goldberg, David P","A low-spin alkylperoxo-iron(III) complex with weak Fe-O and O-O bonds: implications for the mechanism of superoxide reductase.","Journal of the American Chemical Society","2006","128","44","14222","14223","10.1021/ja064525o","","","0.71073","MoKα","","0.0781","0.0707","","","0.1023","0.1052","","","","","","1.253","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101394","13.3964","0.0008","6.5966","0.0004","14.2897","0.0009","90","","108.118","0.006","90","","1200.18","0.13","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Br2 Fe2 O10 Te4 -","- Br2 Fe2 O10 Te4 -","- Br8 Fe8 O40 Te16 -","4","1","","Becker, Richard; Johnsson, Mats; Kremer, Reinhard K; Klauss, Hans-Henning; Lemmens, Peter","Crystal structure and magnetic properties of FeTe2O5X (X=Cl, Br): a frustrated spin cluster compound with a new Te(IV) coordination polyhedron.","Journal of the American Chemical Society","2006","128","48","15469","15475","10.1021/ja064738d","","","0.71073","MoKα","","0.0533","0.0317","","","0.0582","0.0617","","","","","","0.924","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101395","13.2722","0.0008","6.5965","0.0004","14.2351","0.0009","90","","108.02","0.005","90","","1185.15","0.13","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Br Cl Fe2 O10 Te4 -","- Br Cl Fe2 O10 Te4 -","- Br4 Cl4 Fe8 O40 Te16 -","4","1","","Becker, Richard; Johnsson, Mats; Kremer, Reinhard K; Klauss, Hans-Henning; Lemmens, Peter","Crystal structure and magnetic properties of FeTe2O5X (X=Cl, Br): a frustrated spin cluster compound with a new Te(IV) coordination polyhedron.","Journal of the American Chemical Society","2006","128","48","15469","15475","10.1021/ja064738d","","","0.71073","MoKα","","0.0576","0.0309","","","0.05","0.0546","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101396","13.1526","0.0009","6.595","0.0004","14.1454","0.0009","90","","108.771","0.006","90","","1161.73","0.13","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl2 Fe2 O10 Te4 -","- Cl2 Fe2 O10 Te4 -","- Cl8 Fe8 O40 Te16 -","4","1","","Becker, Richard; Johnsson, Mats; Kremer, Reinhard K; Klauss, Hans-Henning; Lemmens, Peter","Crystal structure and magnetic properties of FeTe2O5X (X=Cl, Br): a frustrated spin cluster compound with a new Te(IV) coordination polyhedron.","Journal of the American Chemical Society","2006","128","48","15469","15475","10.1021/ja064738d","","","0.71073","MoKα","","0.0596","0.041","","","0.0979","0.1046","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101397","13.651","0.003","14.36","0.003","21.424","0.005","90","","104.829","0.005","90","","4059.7","1.6","273","","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H3 Cl2 La S2 -","- C79 H3 Cl2 La S2 -","- C316 H12 Cl8 La4 S8 -","4","1","","Wakahara, Takatsugu; Nikawa, Hidefumi; Kikuchi, Takashi; Nakahodo, Tsukasa; Rahman, G M Aminur; Tsuchiya, Takahiro; Maeda, Yutaka; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Yamamoto, Kazunori; Mizorogi, Naomi; Slanina, Zdenek; Nagase, Shigeru","La@C72 having a non-IPR carbon cage.","Journal of the American Chemical Society","2006","128","44","14228","14229","10.1021/ja064751y","","x-ray","0.68889","SrKα","","0.0702","0.0514","","","0.1408","0.1491","","","","","","1.065","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101398","13.54","0.03","14.31","0.02","21.24","0.05","90","","104.04","0.13","90","","3990","15","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H3 Cl2 La S2 -","- C79 H3 Cl2 La S2 -","- C316 H12 Cl8 La4 S8 -","4","1","","Wakahara, Takatsugu; Nikawa, Hidefumi; Kikuchi, Takashi; Nakahodo, Tsukasa; Rahman, G M Aminur; Tsuchiya, Takahiro; Maeda, Yutaka; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Yamamoto, Kazunori; Mizorogi, Naomi; Slanina, Zdenek; Nagase, Shigeru","La@C72 having a non-IPR carbon cage.","Journal of the American Chemical Society","2006","128","44","14228","14229","10.1021/ja064751y","","x-ray","0.68889","SrKα","","0.0564","0.0467","","","0.1299","0.1334","","","","","","1.175","","","","has coordinates,has disorder","295947","2024-11-15","22:25:06",""
"4101399","13.603","0.0006","14.2882","0.0006","21.3771","0.0009","90","","104.791","0.002","90","","4017.2","0.3","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H3 Cl2 La S2 -","- C79 H3 Cl2 La S2 -","- C316 H12 Cl8 La4 S8 -","4","1","","Wakahara, Takatsugu; Nikawa, Hidefumi; Kikuchi, Takashi; Nakahodo, Tsukasa; Rahman, G M Aminur; Tsuchiya, Takahiro; Maeda, Yutaka; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Yamamoto, Kazunori; Mizorogi, Naomi; Slanina, Zdenek; Nagase, Shigeru","La@C72 having a non-IPR carbon cage.","Journal of the American Chemical Society","2006","128","44","14228","14229","10.1021/ja064751y","","x-ray","0.6888","SrKα","","0.0564","0.048","","","0.1305","0.1337","","","","","","1.168","","","","has coordinates,has disorder","295947","2024-11-15","22:25:06",""
"4101400","13.6044","0.0008","14.3066","0.0009","21.3763","0.0013","90","","104.851","0.001","90","","4021.5","0.4","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H3 Cl2 La S2 -","- C79 H3 Cl2 La S2 -","- C316 H12 Cl8 La4 S8 -","4","1","","Wakahara, Takatsugu; Nikawa, Hidefumi; Kikuchi, Takashi; Nakahodo, Tsukasa; Rahman, G M Aminur; Tsuchiya, Takahiro; Maeda, Yutaka; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Yamamoto, Kazunori; Mizorogi, Naomi; Slanina, Zdenek; Nagase, Shigeru","La@C72 having a non-IPR carbon cage.","Journal of the American Chemical Society","2006","128","44","14228","14229","10.1021/ja064751y","","","0.71073","MoKα","","0.1121","0.103","","","0.1812","0.185","","","","","","1.461","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101401","13.5538","0.0008","14.2455","0.0009","21.335","0.0013","90","","104.836","0.001","90","","3982","0.4","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H3 Cl2 La S2 -","- C79 H3 Cl2 La S2 -","- C316 H12 Cl8 La4 S8 -","4","1","","Wakahara, Takatsugu; Nikawa, Hidefumi; Kikuchi, Takashi; Nakahodo, Tsukasa; Rahman, G M Aminur; Tsuchiya, Takahiro; Maeda, Yutaka; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Yamamoto, Kazunori; Mizorogi, Naomi; Slanina, Zdenek; Nagase, Shigeru","La@C72 having a non-IPR carbon cage.","Journal of the American Chemical Society","2006","128","44","14228","14229","10.1021/ja064751y","","","0.71073","MoKα","","0.089","0.0789","","","0.1443","0.1474","","","","","","1.392","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101402","6.44","0.0007","6.44","0.0007","6.44","0.0007","90","","90","","90","","267.09","0.05","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","lead antimony telluride (3.82/0.12/4)","","- Pb3.82 Sb0.12 Te4 -","- Pb3.818 Sb0.1212 Te4 -","- Pb3.818 Sb0.1212 Te4 -","1","0.0208333","","Poudeu, Pierre F P; D'Angelo, Jonathan; Kong, Huijun; Downey, Adam; Short, Jarrod L; Pcionek, Robert; Hogan, Timothy P; Uher, Ctirad; Kanatzidis, Mercouri G","Nanostructures versus solid solutions: low lattice thermal conductivity and enhanced thermoelectric figure of merit in Pb9.6Sb0.2Te10-xSex bulk materials.","Journal of the American Chemical Society","2006","128","44","14347","14355","10.1021/ja0647811","","","0.71073","MoKα","","0.0213","0.0187","","","0.0351","0.0362","","","","","","0.935","","","","has coordinates","213973","2020-10-21","18:00:00",""
"4101403","18.9017","0.0009","11.5733","0.0005","33.382","0.0015","90","","103.584","0.001","90","","7098.2","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 B2 Cu2 F8 N4 O4 -","- C34 H34 B2 Cu2 F8 N4 O4 -","- C272 H272 B16 Cu16 F64 N32 O32 -","8","2","","Lim, Mi Hee; Wong, Brian A; Pitcock, Jr, William H; Mokshagundam, Deepa; Baik, Mu-Hyun; Lippard, Stephen J","Direct nitric oxide detection in aqueous solution by copper(II) fluorescein complexes.","Journal of the American Chemical Society","2006","128","44","14364","14373","10.1021/ja064955e","","","0.71073","MoKα","","0.1072","0.0685","","","0.1407","0.1606","","","","","","1.037","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101404","8.1902","0.0008","11.6112","0.0011","18.2776","0.0018","90","","95.235","0.002","90","","1730.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 B2 Cu F8 N4 O4 -","- C34 H28 B2 Cu F8 N4 O4 -","- C68 H56 B4 Cu2 F16 N8 O8 -","2","0.5","","Lim, Mi Hee; Wong, Brian A; Pitcock, Jr, William H; Mokshagundam, Deepa; Baik, Mu-Hyun; Lippard, Stephen J","Direct nitric oxide detection in aqueous solution by copper(II) fluorescein complexes.","Journal of the American Chemical Society","2006","128","44","14364","14373","10.1021/ja064955e","","","0.71073","MoKα","","0.0618","0.0493","","","0.1276","0.1355","","","","","","1.071","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101405","7.8885","0.0014","23.735","0.004","27.98","0.005","90","","90","","90","","5238.9","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-N-1-(pentafluorophenyl)ethylammonium (+)-2,3-dibenzoyl-D-tartrate","","- C26 H20 F5 N O8 -","- C26 H20 F5 N O8 -","- C208 H160 F40 N8 O64 -","8","2","","Gorske, Benjamin C; Blackwell, Helen E","Tuning peptoid secondary structure with pentafluoroaromatic functionality: a new design paradigm for the construction of discretely folded peptoid structures.","Journal of the American Chemical Society","2006","128","44","14378","14387","10.1021/ja065248o","","","0.71073","MoKα","","0.1265","0.0729","","","0.174","0.2022","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101406","11.489","0.0002","15.318","0.0004","15.526","0.0004","90","","97.331","0.0009","90","","2710.06","0.11","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H49 Cl P2 Ru -","- C24 H49 Cl P2 Ru -","- C96 H196 Cl4 P8 Ru4 -","4","1","","Kuznetsov, Vladimir F; Abdur-Rashid, Kamaluddin; Lough, Alan J; Gusev, Dmitry G","Carbene vs olefin products of C-H activation on ruthenium via competing alpha- and beta-H elimination.","Journal of the American Chemical Society","2006","128","44","14388","14396","10.1021/ja065249g","","","0.71073","MoKα","","0.0413","0.033","","","0.0783","0.083","","","","","","1.041","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4101407","11.516","0.0002","15.5247","0.0003","15.4937","0.0003","90","","97.595","0.001","90","","2745.7","0.09","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H51 Cl P2 Ru -","- C24 H51 Cl P2 Ru -","- C96 H204 Cl4 P8 Ru4 -","4","1","","Kuznetsov, Vladimir F; Abdur-Rashid, Kamaluddin; Lough, Alan J; Gusev, Dmitry G","Carbene vs olefin products of C-H activation on ruthenium via competing alpha- and beta-H elimination.","Journal of the American Chemical Society","2006","128","44","14388","14396","10.1021/ja065249g","","","0.71073","MoKα","","0.0431","0.0329","","","0.0773","0.0828","","","","","","1.049","","","","has coordinates,has disorder","209531","2020-10-21","18:00:00",""
"4101408","12.8009","0.0002","13.543","0.0002","15.061","0.0002","98.874","0.001","107.448","0.001","90.431","0.001","2457.05","0.06","150","1","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H43 Cl N2 P2 Ru -","- C19 H43 Cl N2 P2 Ru -","- C76 H172 Cl4 N8 P8 Ru4 -","4","2","","Kuznetsov, Vladimir F; Abdur-Rashid, Kamaluddin; Lough, Alan J; Gusev, Dmitry G","Carbene vs olefin products of C-H activation on ruthenium via competing alpha- and beta-H elimination.","Journal of the American Chemical Society","2006","128","44","14388","14396","10.1021/ja065249g","","","0.71073","MoKα","","0.0411","0.0338","","","0.0805","0.0847","","","","","","1.054","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4101409","12.075","0.004","19.235","0.006","18.72","0.006","90","","92.72","0.04","90","","4343","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 Ge12.5 N5 O30 -","- C13 Ge12.5 N5 O30 -","- C52 Ge50 N20 O120 -","4","1","","Christensen, Kirsten E; Shi, Lei; Conradsson, Tony; Ren, Tie-zhen; Dadachov, Mike S; Zou, Xiaodong","Design of open-framework germanates by combining different building units.","Journal of the American Chemical Society","2006","128","44","14238","14239","10.1021/ja065403z","","","0.71073","MoKα","","0.0951","0.0479","","","0.0816","0.0901","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101410","11.9831","0.0007","20.1886","0.0012","22.2361","0.0014","88.24","0.002","89.308","0.003","90.352","0.002","5376.4","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38.4 Ge53.9 N13.3 O142.6 -","- C38.66 Ge53.908 N13.44 O139.846 -","- C38.66 Ge53.908 N13.44 O139.846 -","1","0.5","","Christensen, Kirsten E; Shi, Lei; Conradsson, Tony; Ren, Tie-zhen; Dadachov, Mike S; Zou, Xiaodong","Design of open-framework germanates by combining different building units.","Journal of the American Chemical Society","2006","128","44","14238","14239","10.1021/ja065403z","","x-ray","0.907","synchrotron","","0.1093","0.0788","","","0.2153","0.2413","","","","","","1.05","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101411","10.556","0.003","23.464","0.007","6.581","0.002","90","","90","","90","","1629.9","0.9","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H16 Br N O3 -","- C18 H16 Br N O3 -","- C72 H64 Br4 N4 O12 -","4","1","","Dong, Zhenzhen; Karpowicz, Jr, Richard J; Bai, Shi; Yap, Glenn P A; Fox, Joseph M","Control of absolute helicity in single-stranded abiotic metallofoldamers.","Journal of the American Chemical Society","2006","128","44","14242","14243","10.1021/ja065721y","","","0.71073","MoKα","","0.0378","0.0355","","","0.0865","0.0881","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101412","14.646","0.002","14.646","0.002","32.517","0.007","90","","90","","90","","6975","2","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C78 H90 N6 Ni O8 -","- C78 H90 N6 Ni O8 -","- C312 H360 N24 Ni4 O32 -","4","0.5","","Dong, Zhenzhen; Karpowicz, Jr, Richard J; Bai, Shi; Yap, Glenn P A; Fox, Joseph M","Control of absolute helicity in single-stranded abiotic metallofoldamers.","Journal of the American Chemical Society","2006","128","44","14242","14243","10.1021/ja065721y","","","0.71073","MoKα","","0.1106","0.0834","","","0.2229","0.2493","","","","","","1.028","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101413","14.755","0.002","14.755","0.002","32.076","0.006","90","","90","","90","","6983","1.9","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C80 H90 N6 Ni O12 -","- C80 H90 N6 Ni O12 -","- C320 H360 N24 Ni4 O48 -","4","0.5","","Dong, Zhenzhen; Karpowicz, Jr, Richard J; Bai, Shi; Yap, Glenn P A; Fox, Joseph M","Control of absolute helicity in single-stranded abiotic metallofoldamers.","Journal of the American Chemical Society","2006","128","44","14242","14243","10.1021/ja065721y","","","0.71073","MoKα","","0.0743","0.0564","","","0.1508","0.1796","","","","","","1.023","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101414","15.8737","","19.9906","","30.4654","","90","","90.2212","","90","","9667.35","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","?","- C144 Cr24 Cs8 O304 Si4 W48 -","- C144 Cr24 Cs8 O304 Si4 W48 -","","","","Jiang, Chunjie; Lesbani, Aldes; Kawamoto, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka","Channel-selective independent sorption and collection of hydrophilic and hydrophobic molecules by Cs2[Cr3O(OOCC2H5)6(H2O)3]2[alpha-SiW12O40] ionic crystal.","Journal of the American Chemical Society","2006","128","44","14240","14241","10.1021/ja065732r","","","","","","","","","","","","","","","","","","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101415","13.0106","0.0009","13.7993","0.001","14.1006","0.001","73.977","0.001","78.881","0.001","63.853","0.001","2176.8","0.3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H28 Cl4 F4 N4 O5 S2 -","- C45 H30 Cl4 F4 N4 O5 S2 -","- C90 H60 Cl8 F8 N8 O10 S4 -","2","1","","Nolan, Elizabeth M; Ryu, Jubin W; Jaworski, Jacek; Feazell, Rodney P; Sheng, Morgan; Lippard, Stephen J","Zinspy sensors with enhanced dynamic range for imaging neuronal cell zinc uptake and mobilization.","Journal of the American Chemical Society","2006","128","48","15517","15528","10.1021/ja065759a","","","0.71073","MoKα","","0.0597","0.0554","","","0.1457","0.1503","","","","","","1.008","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101416","10.8605","0.0008","13.0832","0.001","17.4505","0.0013","79.564","0.001","72.575","0.001","79.716","0.001","2306.1","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C81 H68 Cl2 F12 N8 O17 S8 Zn4 -","- C81 H68 Cl2 F12 N8 O17 S8 Zn4 -","- C81 H68 Cl2 F12 N8 O17 S8 Zn4 -","1","0.5","","Nolan, Elizabeth M; Ryu, Jubin W; Jaworski, Jacek; Feazell, Rodney P; Sheng, Morgan; Lippard, Stephen J","Zinspy sensors with enhanced dynamic range for imaging neuronal cell zinc uptake and mobilization.","Journal of the American Chemical Society","2006","128","48","15517","15528","10.1021/ja065759a","","","0.71073","MoKα","","0.0677","0.0547","","","0.1498","0.1597","","","","","","1.053","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101417","10.1101","0.0007","15.761","0.0011","13.0036","0.0009","90","","100.8","0.001","90","","2035.4","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 B2 Cu2 F8.19 N4 O4 S2 -","- C38 H42 B2 Cu2 F8 N4 O4 S2 -","- C76 H84 B4 Cu4 F16 N8 O8 S4 -","2","0.5","","Nolan, Elizabeth M; Ryu, Jubin W; Jaworski, Jacek; Feazell, Rodney P; Sheng, Morgan; Lippard, Stephen J","Zinspy sensors with enhanced dynamic range for imaging neuronal cell zinc uptake and mobilization.","Journal of the American Chemical Society","2006","128","48","15517","15528","10.1021/ja065759a","","","0.71073","MoKα","","0.0436","0.0414","","","0.1112","0.1133","","","","","","1.054","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101418","10.4914","0.0014","12.8272","0.0017","13.8975","0.0018","76.451","0.002","80.45","0.002","87.137","0.002","1792.9","0.4","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H60 Lu2 -","- C40 H60 Lu2 -","- C80 H120 Lu4 -","2","1","","Evans, William J; Champagne, Timothy M; Ziller, Joseph W","Organolutetium vinyl and tuck-over complexes via C-H bond activation.","Journal of the American Chemical Society","2006","128","44","14270","14271","10.1021/ja065788l","","","0.71073","MoKα","","0.0325","0.0232","","","0.0587","0.0637","","","","","","1.049","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101419","8.606","0.004","9.714","0.004","16.544","0.007","83.991","0.007","89.722","0.007","73.047","0.007","1315.2","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H43 Lu -","- C30 H43 Lu -","- C60 H86 Lu2 -","2","1","","Evans, William J; Champagne, Timothy M; Ziller, Joseph W","Organolutetium vinyl and tuck-over complexes via C-H bond activation.","Journal of the American Chemical Society","2006","128","44","14270","14271","10.1021/ja065788l","","","0.71073","MoKα","","0.0254","0.0237","","","0.0581","0.0591","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101420","14.135","0.003","15.099","0.003","16.702","0.003","65.97","0.004","72.914","0.004","81.375","0.004","3110.2","1","163","2","163","2","","","","","","","","7","P -1","-P 1","2","1-dimesitylboron-8-trimethylammoniummethane-naphthalenediyl - triflate","","","- C33 H39 B F3 N O3 S -","- C33 H39 B F3 N O3 S -","- C132 H156 B4 F12 N4 O12 S4 -","4","2","","Chiu, Ching-Wen; Gabbaï, François P","Fluoride ion capture from water with a cationic borane.","Journal of the American Chemical Society","2006","128","44","14248","14249","10.1021/ja0658463","","","0.71073","MoKα","","0.1535","0.0765","","","0.1376","0.1544","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101421","8.4633","0.001","17.444","0.002","17.727","0.002","90","","90","","90","","2617","0.5","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-dimesitylfluoroborate- 8-trimethylammoniummethane-naphthalenediyl","","","- C32 H39 B F N -","- C32 H39 B F N -","- C128 H156 B4 F4 N4 -","4","1","","Chiu, Ching-Wen; Gabbaï, François P","Fluoride ion capture from water with a cationic borane.","Journal of the American Chemical Society","2006","128","44","14248","14249","10.1021/ja0658463","","","0.71073","MoKα","","0.1049","0.0648","","","0.119","0.1292","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101422","16.908","0.003","10.789","0.002","18.933","0.004","90","","100.75","0.03","90","","3393.2","1.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H56 Ir N P2 -","- C31 H56 Ir N P2 -","- C124 H224 Ir4 N4 P8 -","4","1","","Ben-Ari, Eyal; Leitus, Gregory; Shimon, Linda J W; Milstein, David","Metal-ligand cooperation in C-H and H2 activation by an electron-rich PNP Ir(I) system: facile ligand dearomatization-aromatization as key steps.","Journal of the American Chemical Society","2006","128","48","15390","15391","10.1021/ja066411i","","","0.71073","MoKα","","0.0494","0.0362","","","0.0968","0.1023","","","","","","1.077","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101423","10.725","0.002","13.444","0.003","20.495","0.004","90","","103.22","0.03","90","","2876.8","1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H48 Ir N P2 -","- C29 H48 Ir N P2 -","- C116 H192 Ir4 N4 P8 -","4","1","","Ben-Ari, Eyal; Leitus, Gregory; Shimon, Linda J W; Milstein, David","Metal-ligand cooperation in C-H and H2 activation by an electron-rich PNP Ir(I) system: facile ligand dearomatization-aromatization as key steps.","Journal of the American Chemical Society","2006","128","48","15390","15391","10.1021/ja066411i","","","0.71073","MoKα","","0.0463","0.0388","","","0.1012","0.1065","","","","","","1.048","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101424","10.782","0.002","13.335","0.003","20.62","0.004","90","","103.4","0.03","90","","2884","1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H50 Ir N P2 -","- C29 H50 Ir N P2 -","- C116 H200 Ir4 N4 P8 -","4","1","","Ben-Ari, Eyal; Leitus, Gregory; Shimon, Linda J W; Milstein, David","Metal-ligand cooperation in C-H and H2 activation by an electron-rich PNP Ir(I) system: facile ligand dearomatization-aromatization as key steps.","Journal of the American Chemical Society","2006","128","48","15390","15391","10.1021/ja066411i","","","0.71073","MoKα","","0.0495","0.0371","","","0.0904","0.097","","","","","","1.033","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101425","16.9939","0.0004","18.6105","0.0004","20.5133","0.0004","90","","106.347","0.001","90","","6225.4","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62.65 H47.3 Au2 Cl5.3 F6 N2 O4 P2 -","- C62.65 H47.3 Au2 Cl5.3 F6 N2 O4 P2 -","- C250.6 H189.2 Au8 Cl21.2 F24 N8 O16 P8 -","4","1","","Wheaton, Craig A; Eisler, Dana J; Jennings, Michael C; Puddephatt, Richard J","Self-assembly of coordination polymers: evidence for dynamic exchange between oligomers in solution and the isolation of a homochiral decagold(I) oligomer.","Journal of the American Chemical Society","2006","128","48","15370","15371","10.1021/ja066450u","","","0.71073","MoKα","","0.0676","0.0517","","","0.1327","0.1425","","","","","","1.097","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101426","14.9319","0.0003","16.5595","0.0003","27.0293","0.0005","90","","90","","90","","6683.4","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H56 Au2 F6 N2 O7 P2 -","- C66 H56 Au2 F6 N2 O7 P2 -","- C264 H224 Au8 F24 N8 O28 P8 -","4","1","","Wheaton, Craig A; Eisler, Dana J; Jennings, Michael C; Puddephatt, Richard J","Self-assembly of coordination polymers: evidence for dynamic exchange between oligomers in solution and the isolation of a homochiral decagold(I) oligomer.","Journal of the American Chemical Society","2006","128","48","15370","15371","10.1021/ja066450u","","","0.71073","MoKα","","0.0922","0.0719","","","0.1748","0.1867","","","","","","1.029","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101427","36.405","0.005","36.405","0.005","49.917","0.01","90","","90","","120","","57294","16","150","2","150","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C319.5 H235 Au10 Cl15 F30 N12 O20 P10 -","- C292 H220 Au10 N12 P10 -","- C1752 H1320 Au60 N72 P60 -","6","1","","Wheaton, Craig A; Eisler, Dana J; Jennings, Michael C; Puddephatt, Richard J","Self-assembly of coordination polymers: evidence for dynamic exchange between oligomers in solution and the isolation of a homochiral decagold(I) oligomer.","Journal of the American Chemical Society","2006","128","48","15370","15371","10.1021/ja066450u","","","0.71073","MoKα","","0.1032","0.0808","","","0.2112","0.2271","","","","","","0.995","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101428","5.8906","0.001","12.736","0.002","19.54","0.004","90","","90","","90","","1466","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N O3 -","- C15 H18 Br N O3 -","- C60 H72 Br4 N4 O12 -","4","1","","Mattson, Anita E; Zuhl, Andrea M; Reynolds, Troy E; Scheidt, Karl A","Direct nucleophilic acylation of nitroalkenes promoted by a fluoride anion/thiourea combination.","Journal of the American Chemical Society","2006","128","15","4932","4933","10.1021/ja056565i","","","0.71073","MoKα","","0.0522","0.035","","","0.0767","0.0823","","","","","","0.965","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101429","35.223","0.003","11.1137","0.0009","25.776","0.002","90","","130.96","0.003","90","","7619.8","1.1","153","","153","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H94 Li2 O10 Sn2 -","- C86 H94 Li2 O10 Sn2 -","- C344 H376 Li8 O40 Sn8 -","4","0.5","","Haga, Ryuta; Saito, Masaichi; Yoshioka, Michikazu","Reversible redox behavior between stannole dianion and bistannole-1,2-dianion.","Journal of the American Chemical Society","2006","128","15","4934","4935","10.1021/ja057228c","","","0.71073","MoKα","","0.0545","0.038","","","0.0907","0.1089","","","","","","0.945","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101430","18.1536","0.0006","18.1536","0.0006","52.57","0.004","90","","90","","90","","17324.5","1.4","123","2","123","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C117 H239 Cl3 Cu2 N8 O103 -","- C117 H201 Cl3 Cu2 N8 O103 -","- C468 H804 Cl12 Cu8 N32 O412 -","4","0.5","","Fu, Heng; Zhou, Ying-Hua; Chen, Wei-Lin; Deqing, Zhuo-Ga; Tong, Ming-Liang; Ji, Liang-Nian; Mao, Zong-Wan","Complexation, structure, and superoxide dismutase activity of the imidazolate-bridged dinuclear copper moiety with beta-cyclodextrin and its guanidinium-containing derivative.","Journal of the American Chemical Society","2006","128","15","4924","4925","10.1021/ja057717c","","","0.71073","MoKα","","0.2129","0.1479","","","0.3702","0.4194","","","","","","1.41","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101431","40.07","0.005","18.332","0.002","10.556","0.003","90","","90","","90","","7754","2","133","2","133","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H59 Al N2 Si2 -","- C39 H59 Al N2 Si2 -","- C312 H472 Al8 N16 Si16 -","8","2","","Zhu, Hongping; Oswald, Rainer B; Fan, Hongjun; Roesky, Herbert W; Ma, Qingjun; Yang, Zhi; Schmidt, Hans-Georg; Noltemeyer, Mathias; Starke, Kerstin; Hosmane, Narayan S","Aluminacyclopropene: syntheses, characterization, and reactivity toward terminal alkynes.","Journal of the American Chemical Society","2006","128","15","5100","5108","10.1021/ja057731p","","","0.71073","MoKα","","0.1309","0.0493","","","0.0617","0.0768","","","","","","0.72","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101432","11.118","0.002","12.44","0.003","15.279","0.003","73.57","0.03","75.6","0.03","72.74","0.03","1904.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H53 Al N2 -","- C45 H53 Al N2 -","- C90 H106 Al2 N4 -","2","1","","Zhu, Hongping; Oswald, Rainer B; Fan, Hongjun; Roesky, Herbert W; Ma, Qingjun; Yang, Zhi; Schmidt, Hans-Georg; Noltemeyer, Mathias; Starke, Kerstin; Hosmane, Narayan S","Aluminacyclopropene: syntheses, characterization, and reactivity toward terminal alkynes.","Journal of the American Chemical Society","2006","128","15","5100","5108","10.1021/ja057731p","","","0.71073","MoKα","","0.0818","0.0736","","","0.1508","0.1549","","","","","","1.232","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101433","15.768","0.003","12.973","0.003","18.678","0.004","90","","98.39","0.03","90","","3779.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H53 Al N2 -","- C45 H53 Al N2 -","- C180 H212 Al4 N8 -","4","1","","Zhu, Hongping; Oswald, Rainer B; Fan, Hongjun; Roesky, Herbert W; Ma, Qingjun; Yang, Zhi; Schmidt, Hans-Georg; Noltemeyer, Mathias; Starke, Kerstin; Hosmane, Narayan S","Aluminacyclopropene: syntheses, characterization, and reactivity toward terminal alkynes.","Journal of the American Chemical Society","2006","128","15","5100","5108","10.1021/ja057731p","","","1.54178","CuKα","","0.0415","0.0328","","","0.0766","0.0814","","","","","","1.016","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101434","14.641","0.003","19.674","0.004","16.162","0.003","90","","99.78","0.03","90","","4587.7","1.6","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H64 Al N2 -","- C54 H64 Al N2 -","- C216 H256 Al4 N8 -","4","1","","Zhu, Hongping; Oswald, Rainer B; Fan, Hongjun; Roesky, Herbert W; Ma, Qingjun; Yang, Zhi; Schmidt, Hans-Georg; Noltemeyer, Mathias; Starke, Kerstin; Hosmane, Narayan S","Aluminacyclopropene: syntheses, characterization, and reactivity toward terminal alkynes.","Journal of the American Chemical Society","2006","128","15","5100","5108","10.1021/ja057731p","","","0.71073","MoKα","","0.0671","0.043","","","0.102","0.11","","","","","","0.986","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101435","16.879","0.003","12.292","0.003","17.093","0.003","90","","105.37","0.03","90","","3419.6","1.2","253","2","253","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Na7 O36 Ru4 -","- C12 Na7 O36 Ru4 -","- C48 Na28 O144 Ru16 -","4","0.5","","Wong, Ella Lai-Ming; Sun, Raymond Wai-Yin; Chung, Nancy P-Y; Lin, Chen-Lung Steve; Zhu, Nianyong; Che, Chi-Ming","A mixed-valent ruthenium-oxo oxalato cluster Na7[Ru4(mu3-O)4(C2O4)6] with potent anti-HIV activities.","Journal of the American Chemical Society","2006","128","15","4938","4939","10.1021/ja057883k","","","0.71073","MoKα","","0.0338","0.0303","","","0.0941","0.0959","","","","","","1.137","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101436","18.78","0.004","14.609","0.003","12.213","0.002","90","","114.08","0.03","90","","3059.1","1.1","253","2","253","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H7 Na3 O15.5 Ru -","- C6 Na3 O15.5 Ru -","- C48 Na24 O124 Ru8 -","8","1","","Wong, Ella Lai-Ming; Sun, Raymond Wai-Yin; Chung, Nancy P-Y; Lin, Chen-Lung Steve; Zhu, Nianyong; Che, Chi-Ming","A mixed-valent ruthenium-oxo oxalato cluster Na7[Ru4(mu3-O)4(C2O4)6] with potent anti-HIV activities.","Journal of the American Chemical Society","2006","128","15","4938","4939","10.1021/ja057883k","","","0.71073","MoKα","","0.0624","0.0517","","","0.1531","0.1581","","","","","","1.16","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101437","13.6546","0.001","12.7382","0.0009","19.7605","0.0014","90","","90","","90","","3437","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C160 H200 N8 O24 -","8","1","","Ma, Shengming; Gu, Zhenhua","Sequential rearrangement of 1,2,4Z,7-tetraenes involving [1,5]-hydrogen migration and electrocyclization: an efficient synthesis of eight-membered cyclic compounds.","Journal of the American Chemical Society","2006","128","15","4942","4943","10.1021/ja057985a","","","0.71073","MoKα","","0.0727","0.0548","","","0.136","0.1464","","","","","","0.986","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101438","6.7357","0.0008","19.494","0.002","11.5301","0.0014","90","","101.969","0.002","90","","1481.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Ma, Shengming; Gu, Zhenhua","Sequential rearrangement of 1,2,4Z,7-tetraenes involving [1,5]-hydrogen migration and electrocyclization: an efficient synthesis of eight-membered cyclic compounds.","Journal of the American Chemical Society","2006","128","15","4942","4943","10.1021/ja057985a","","","0.71073","MoKα","","0.0894","0.0586","","","0.1363","0.1517","","","","","","0.939","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101439","20.526","0.002","8.1237","0.0007","25.516","0.002","90","","90","","90","","4254.7","0.6","100","1","100","1","","","","","","","see text","2","P c a 21","P 2c -2ac","29","","","","- C32 H22 -","- C32 H22 -","- C256 H176 -","8","2","","Vicario, Javier; Walko, Martin; Meetsma, Auke; Feringa, Ben L","Fine tuning of the rotary motion by structural modification in light-driven unidirectional molecular motors.","Journal of the American Chemical Society","2006","128","15","5127","5135","10.1021/ja058303m","","","0.71073","MoKα","","0.069","0.0533","","","0.1239","0.1322","","","","","","1.023","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101440","23.32","0.005","8.89","0.002","10.399","0.002","90","","90","","90","","2155.9","0.8","100","1","100","1","","","","","","","see text","2","P c a 21","P 2c -2ac","29","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Vicario, Javier; Walko, Martin; Meetsma, Auke; Feringa, Ben L","Fine tuning of the rotary motion by structural modification in light-driven unidirectional molecular motors.","Journal of the American Chemical Society","2006","128","15","5127","5135","10.1021/ja058303m","","","0.71073","MoKα","","0.1028","0.0579","","","0.1216","0.1345","","","","","","0.977","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101441","18.56","0.004","5.8676","0.0011","15.887","0.003","90","","98.155","0.004","90","","1712.6","0.6","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H21 Br O3 -","- C18 H21 Br O3 -","- C72 H84 Br4 O12 -","4","1","","Lee, Ai-Lan; Malcolmson, Steven J; Puglisi, Alessandra; Schrock, Richard R; Hoveyda, Amir H","Enantioselective synthesis of cyclic enol ethers and all-carbon quaternary stereogenic centers through catalytic asymmetric ring-closing metathesis.","Journal of the American Chemical Society","2006","128","15","5153","5157","10.1021/ja058428r","","","0.71073","MoKα","","0.0979","0.0697","","","0.0856","0.0929","","","","","","1.124","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101442","13.62","0.004","13.81","0.004","14.056","0.004","90","","95.534","0.005","90","","2631.3","1.2","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 Ge O2 -","- C28 H42 Ge O2 -","- C112 H168 Ge4 O8 -","4","1","","Gerung, Henry; Boyle, Timothy J; Tribby, Louis J; Bunge, Scott D; Brinker, C Jeffrey; Han, Sang M","Solution synthesis of germanium nanowires using a Ge2+ alkoxide precursor.","Journal of the American Chemical Society","2006","128","15","5244","5250","10.1021/ja058524s","","","0.71073","MoKα","","0.0954","0.0616","","","0.1392","0.1586","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101443","12.6576","0.0009","14.0938","0.001","26.0706","0.0018","90","","90","","90","","4650.8","0.6","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H78 O6 Si2 -","- C43 H78 O6 Si2 -","- C172 H312 O24 Si8 -","4","1","","Smith, 3rd, Amos B; Mesaros, Eugen F; Meyer, Emmanuel A","Evolution of a total synthesis of (-)-kendomycin exploiting a Petasis-Ferrier rearrangement/ring-closing olefin metathesis strategy.","Journal of the American Chemical Society","2006","128","15","5292","5299","10.1021/ja060369+","","","0.71069","MoKα","","0.0477","0.0415","","","0.088","0.092","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101444","8.1245","0.0009","18.086","0.002","24.834","0.003","90","","90","","90","","3649","0.7","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H58 O6 Si -","- C36 H58 O6 Si -","- C144 H232 O24 Si4 -","4","1","","Smith, 3rd, Amos B; Mesaros, Eugen F; Meyer, Emmanuel A","Evolution of a total synthesis of (-)-kendomycin exploiting a Petasis-Ferrier rearrangement/ring-closing olefin metathesis strategy.","Journal of the American Chemical Society","2006","128","15","5292","5299","10.1021/ja060369+","","","0.71069","MoKα","","0.0987","0.0641","","","0.1495","0.1728","","","","","","0.946","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101445","10.343","0.0004","10.5536","0.0004","14.0707","0.0005","87.428","0.002","83.364","0.002","73.736","0.001","1464.43","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H96 B2 Cl2 Fe2 N4 P2 -","- C54 H96 B2 Cl2 Fe2 N4 P4 -","- C54 H96 B2 Cl2 Fe2 N4 P4 -","1","0.5","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.0989","0.0494","","","0.0817","0.0905","","","","","","1.157","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101446","10.8828","0.0009","20.2565","0.0017","33.573","0.003","90","","94.412","0.002","90","","7379.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H63 B Fe N3 P2 -","- C37 H63 B Fe N3 P2 -","- C296 H504 B8 Fe8 N24 P16 -","8","2","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.1493","0.0818","","","0.1083","0.1159","","","","","","1.763","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101447","10.8828","0.0009","20.2565","0.0017","33.573","0.003","90","","94.412","0.002","90","","7379.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.75 H36.75 B0.75 Fe0.75 N2.25 P1.5 -","- C37 H63 B Fe N3 P2 -","- C296 H504 B8 Fe8 N24 P16 -","8","2","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.1539","0.0893","","","0.1237","0.1301","","","","","","1.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101448","10.886","0.004","17.39","0.005","21.104","0.006","83.777","0.011","75.874","0.007","85.19","0.008","3845","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H65 B Fe N3 P2 -","- C39 H67 B Fe N3 P2 -","- C156 H268 B4 Fe4 N12 P8 -","4","2","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.1739","0.0885","","","0.1504","0.1655","","","","","","1.252","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101449","12.2246","0.0019","27.556","0.004","12.862","0.002","90","","102.822","0.004","90","","4224.7","1.1","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C81 H121 B F24 Fe N3 O3 P2 -","- C81 H99 B2 F24 Fe N3 O3 P2 -","- C162 H198 B4 F48 Fe2 N6 O6 P4 -","2","1","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.2941","0.1237","","","0.1716","0.1972","","","","","","1.38","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101450","19.438","0.017","18.86","0.02","22.418","0.017","90","","99.66","0.05","90","","8104","14","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C79 H93 B2 F24 Fe N3 O2 P2 -","- C52.6667 H63.3333 B1.33333 F16 Fe0.666667 N2 O1.33333 P1.33333 -","- C316 H380 B8 F96 Fe4 N12 O8 P8 -","6","1.5","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.1563","0.0607","","","0.0871","0.0996","","","","","","1.216","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101451","17.1638","0.001","12.4968","0.0008","30.4408","0.0018","90","","90","","90","","6529.3","0.7","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C11 H21 B11 -","- C11 H21 B11 -","- C176 H336 B176 -","16","4","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1593","0.0663","","","0.1545","0.1917","","","","","","0.96","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101452","29.9835","0.0015","6.9576","0.0003","14.8049","0.0007","90","","90","","90","","3088.5","0.3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C10 H19 B11 -","- C10 H19 B11 -","- C80 H152 B88 -","8","2","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1289","0.0601","","","0.1353","0.1738","","","","","","0.994","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101453","13.549","0.012","10.789","0.009","12.519","0.011","90","","90","","90","","1830","3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C11 H29 B11 -","- C11 H23 B11 -","- C44 H92 B44 -","4","0.5","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1005","0.0917","","","0.311","0.3372","","","","","","1.61","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101454","12.4353","0.0019","17.434","0.003","17.516","0.003","90","","90","","90","","3797.3","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H11 B11 Br6 -","- C5 H11 B11 Br6 -","- C40 H88 B88 Br48 -","8","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1172","0.0624","","","0.1562","0.205","","","","","","1.017","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101455","26.847","0.002","11.2688","0.0009","22.1902","0.0018","90","","90","","90","","6713.4","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C42 H106 B22 Li4 O12 -","- C42 H106 B22 Li4 O12 -","- C168 H424 B88 Li16 O48 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1813","0.0901","","","0.2218","0.2962","","","","","","0.994","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101456","15.322","0.005","11.64","0.004","20.559","0.007","90","","96.728","0.007","90","","3641","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H53 B11 Na2 O4 -","- C27 H53 B11 Na2 O4 -","- C108 H212 B44 Na8 O16 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1678","0.0881","","","0.2452","0.3317","","","","","","1.019","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101457","11.7337","0.0006","24.0688","0.0011","24.6327","0.0012","90","","90","","90","","6956.7","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H51 B11 Na2 O4 -","- C26 H51 B11 Na2 O4 -","- C208 H408 B88 Na16 O32 -","8","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1629","0.0804","","","0.2211","0.2975","","","","","","1.062","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4101458","10.6621","0.0008","28.285","0.002","12.8219","0.0009","90","","100.73","0.002","90","","3799.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H53 B11 Na2 O5 -","- C28 H53 B11 Na2 O5 -","- C112 H212 B44 Na8 O20 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1694","0.0978","","","0.2739","0.3336","","","","","","1.04","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101459","9.8243","0.0008","19.2794","0.0015","18.2812","0.0015","90","","92.967","0.001","90","","3457.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H57 B11 Ca O5 -","- C25 H57 B11 Ca O5 -","- C100 H228 B44 Ca4 O20 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1078","0.0584","","","0.1503","0.1783","","","","","","1.023","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101460","11.0023","0.001","11.6631","0.001","20.3879","0.0018","81.851","0.001","77.994","0.001","68.843","0.001","2380.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H65 B11 Ni O3 P2 -","- C43 H65 B11 Ni O3 P2 -","- C86 H130 B22 Ni2 O6 P4 -","2","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.0991","0.0638","","","0.1751","0.194","","","","","","1.012","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101461","10.9613","0.0017","11.7026","0.0019","20.509","0.003","82.866","0.004","80.038","0.004","67.554","0.004","2389.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H63 B11 Ni O3 P2 -","- C43 H63 B11 Ni O3 P2 -","- C86 H126 B22 Ni2 O6 P4 -","2","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1585","0.0791","","","0.2031","0.264","","","","","","1.019","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101462","33.299","0.005","8.7863","0.001","35.011","0.004","90","","113.836","0.006","90","","9370","2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C53 H48 O4 -","- C58.5 H48 O4 -","- C468 H384 O32 -","8","1","","Menger, Fredric M; Sorrells, Jennifer L","A non-steroidal facial amphiphile.","Journal of the American Chemical Society","2006","128","15","4960","4961","10.1021/ja0608747","","","1.54178","CuKα","","0.2323","0.1234","","","0.3111","0.3813","","","","","","1.008","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101463","16.2233","0.0002","13.7836","0.0003","20.1744","0.0004","90","","91.207","0.001","90","","4510.31","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H84 Cl2 P2 Pd -","- C41.992 H84 Cl2 P2 Pd -","- C167.968 H336 Cl8 P8 Pd4 -","4","1","","Nawara, Agnieszka J; Shima, Takanori; Hampel, Frank; Gladysz, J A","Gyroscope-like molecules consisting of PdX2/PtX2 rotators encased in three-spoke stators: synthesis via alkene metathesis, and facile substitution and demetalation.","Journal of the American Chemical Society","2006","128","15","4962","4963","10.1021/ja061044w","","","0.71073","MoKα","","0.0646","0.0344","","","0.0732","0.0823","","","","","","0.963","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101464","11.9863","0.0002","16.467","0.0003","16.9113","0.0002","67.387","0.001","72.547","0.001","79.382","0.001","2930.44","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H106 P2 Pt -","- C58.992 H106 P2 Pt -","- C117.984 H212 P4 Pt2 -","2","1","","Nawara, Agnieszka J; Shima, Takanori; Hampel, Frank; Gladysz, J A","Gyroscope-like molecules consisting of PdX2/PtX2 rotators encased in three-spoke stators: synthesis via alkene metathesis, and facile substitution and demetalation.","Journal of the American Chemical Society","2006","128","15","4962","4963","10.1021/ja061044w","","","0.71073","MoKα","","0.0365","0.0293","","","0.0748","0.0792","","","","","","1.018","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101465","11.2376","0.0014","11.682","0.0015","13.9798","0.0017","106.609","0.002","107.792","0.002","97.506","0.002","1626.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","05130b","","","- C33 H36 Br F3 O7 -","- C33 H36 Br F3 O7 -","- C66 H72 Br2 F6 O14 -","2","1","","Kurdyumov, Aleksey V; Hsung, Richard P","An unusual cationic [2 + 2] cycloaddition in a divergent total synthesis of hongoquercin A and rhododaurichromanic acid A.","Journal of the American Chemical Society","2006","128","19","6272","6273","10.1021/ja054872i","","","0.71073","MoKα","","0.0652","0.0445","","","0.1085","0.1198","","","","","","1.021","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101466","9.3825","0.0004","11.4433","0.0004","11.5409","0.0005","98.579","0.001","96.178","0.001","94.445","0.001","1212.6","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H58 Cl8 P2 Pd2 -","- C44 H58 Cl8 P2 Pd2 -","- C44 H58 Cl8 P2 Pd2 -","1","0.5","","Christmann, Ute; Pantazis, Dimitrios A; Benet-Buchholz, Jordi; McGrady, John E; Maseras, Feliu; Vilar, Ramón","Experimental and theoretical investigations of new dinuclear palladium complexes as precatalysts for the amination of aryl chlorides.","Journal of the American Chemical Society","2006","128","19","6376","6390","10.1021/ja057825z","","","0.71073","MoKα","","0.0342","0.0301","","","0.0719","0.0739","","","","","","1.056","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101467","18.9087","0.0017","11.3204","0.0011","11.4261","0.001","90","","109.683","0.002","90","","2302.9","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H32 Cl2 N P Pd2 -","- C22 H32 Cl2 N P Pd2 -","- C88 H128 Cl8 N4 P4 Pd8 -","4","1","","Christmann, Ute; Pantazis, Dimitrios A; Benet-Buchholz, Jordi; McGrady, John E; Maseras, Feliu; Vilar, Ramón","Experimental and theoretical investigations of new dinuclear palladium complexes as precatalysts for the amination of aryl chlorides.","Journal of the American Chemical Society","2006","128","19","6376","6390","10.1021/ja057825z","","","0.71073","MoKα","","0.0356","0.0333","","","0.0801","0.0827","","","","","","1.121","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101468","18.8461","0.0006","12.1995","0.0004","9.7818","0.0003","90","","90","","90","","2248.96","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H31 Br2 N P Pd -","- C22 H31 Br2 N P Pd -","- C88 H124 Br8 N4 P4 Pd4 -","4","0.5","","Christmann, Ute; Pantazis, Dimitrios A; Benet-Buchholz, Jordi; McGrady, John E; Maseras, Feliu; Vilar, Ramón","Experimental and theoretical investigations of new dinuclear palladium complexes as precatalysts for the amination of aryl chlorides.","Journal of the American Chemical Society","2006","128","19","6376","6390","10.1021/ja057825z","","","0.71073","MoKα","","0.0505","0.0386","","","0.0955","0.1011","","","","","","1.028","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101469","8.2553","0.0007","12.2943","0.001","16.4607","0.0014","102.663","0.002","103.627","0.002","91.036","0.002","1579.8","0.2","273","2","228","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H36 N4 O6 -","- C35 H36 N4 O6 -","- C70 H72 N8 O12 -","2","1","","Tamaoki, Nobuyuki; Wada, Momoyo","Dynamic control of racemization rate through E-Z photoisomerization of azobenzene and subsequent partial photoresolution under circular polarized light.","Journal of the American Chemical Society","2006","128","19","6284","6285","10.1021/ja058398s","","","0.71073","MoKα","","0.0522","0.0429","","","0.1186","0.1282","","","","","","0.952","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101470","10.1518","0.0008","16.2374","0.0013","21.7024","0.0017","90","","90.229","0.001","90","","3577.4","0.5","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H44 N4 O8 -","- C39 H44 N4 O8 -","- C156 H176 N16 O32 -","4","1","","Tamaoki, Nobuyuki; Wada, Momoyo","Dynamic control of racemization rate through E-Z photoisomerization of azobenzene and subsequent partial photoresolution under circular polarized light.","Journal of the American Chemical Society","2006","128","19","6284","6285","10.1021/ja058398s","","","0.71073","MoKα","","0.0504","0.0433","","","0.1174","0.1242","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101471","11.7081","0.0019","11.9876","0.0019","11.9931","0.0019","67.339","0.002","76.286","0.003","75.921","0.003","1487.2","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H36 N4 O6 -","- C35 H36 N4 O6 -","- C70 H72 N8 O12 -","2","1","","Tamaoki, Nobuyuki; Wada, Momoyo","Dynamic control of racemization rate through E-Z photoisomerization of azobenzene and subsequent partial photoresolution under circular polarized light.","Journal of the American Chemical Society","2006","128","19","6284","6285","10.1021/ja058398s","","","0.71073","MoKα","","0.0754","0.0593","","","0.1515","0.1606","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101472","10.3665","0.0009","32.825","0.003","11.868","0.001","90","","101.224","0.002","90","","3961.1","0.6","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 N4 O9 -","- C43 H52 N4 O9 -","- C172 H208 N16 O36 -","4","1","","Tamaoki, Nobuyuki; Wada, Momoyo","Dynamic control of racemization rate through E-Z photoisomerization of azobenzene and subsequent partial photoresolution under circular polarized light.","Journal of the American Chemical Society","2006","128","19","6284","6285","10.1021/ja058398s","","","0.71073","MoKα","","0.0647","0.0476","","","0.1168","0.1272","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101473","6.5195","0.0005","14.0366","0.0011","19.108","0.0014","107.401","0.001","99.129","0.001","98.266","0.001","1613.2","0.2","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","2","","Wender, Paul A; Haustedt, Lars O; Lim, Jaehong; Love, Jennifer A; Williams, Travis J; Yoon, Joo-Yong","Asymmetric catalysis of the [5 + 2] cycloaddition reaction of vinylcyclopropanes and pi-systems.","Journal of the American Chemical Society","2006","128","19","6302","6303","10.1021/ja058590u","","","0.71073","MoKα","","0.071","0.0464","","","0.1147","0.1216","","","","","","0.931","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101474","11.0127","0.0008","16.387","0.0008","18.7355","0.0011","99.521","0.001","106.034","0.001","102.488","0.001","3080","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Sc3N@N-trityl-3,4-fullero[C80]pyrrolidine, 2.25CS2, 0.75benzene solvate","","","- C107.75 H23.5 N2 S4.5 Sc3 -","- C107.75 H23.5 N2 S4.5 Sc3 -","- C215.5 H47 N4 S9 Sc6 -","2","1","","Cai, Ting; Slebodnick, Carla; Xu, Liaosa; Harich, Kim; Glass, Thomas E; Chancellor, Christopher; Fettinger, James C; Olmstead, Marilyn M; Balch, Alan L; Gibson, Harry W; Dorn, Harry C","A pirouette on a metallofullerene sphere: interconversion of isomers of N-tritylpyrrolidino I(h) Sc3N@C80.","Journal of the American Chemical Society","2006","128","19","6486","6492","10.1021/ja0601843","","","0.71073","MoKα","","0.1408","0.0987","","","0.2809","0.305","","","","","","1.104","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101475","11.0242","0.0011","16.5046","0.0018","18.8995","0.0019","74.045","0.002","77.655","0.003","76.84","0.002","3177.2","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Sc3N@N-trityl-3,4-fullero[C80]pyrrolidine","","","- C115.65 H36.1 N2 Sc3 -","- C115.65 H36.1 N2 Sc3 -","- C231.3 H72.2 N4 Sc6 -","2","1","","Cai, Ting; Slebodnick, Carla; Xu, Liaosa; Harich, Kim; Glass, Thomas E; Chancellor, Christopher; Fettinger, James C; Olmstead, Marilyn M; Balch, Alan L; Gibson, Harry W; Dorn, Harry C","A pirouette on a metallofullerene sphere: interconversion of isomers of N-tritylpyrrolidino I(h) Sc3N@C80.","Journal of the American Chemical Society","2006","128","19","6486","6492","10.1021/ja0601843","","","0.71073","MoKα","","0.0817","0.0547","","","0.139","0.1559","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101476","23.443","0.007","5.6718","0.0016","7.288","0.002","90","","90","","90","","969","0.5","93","2","93","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C12 H28 I3 N4 Pt -","- C12 H28 I3 N4 Pt -","- C24 H56 I6 N8 Pt2 -","2","0.25","","Takaishi, Shinya; Kawakami, Daisuke; Yamashita, Masahiro; Sasaki, Mari; Kajiwara, Takashi; Miyasaka, Hitoshi; Sugiura, Ken-Ichi; Wakabayashi, Yusuke; Sawa, Hiroshi; Matsuzaki, Hiroyuki; Kishida, Hideo; Okamoto, Hiroshi; Watanabe, Harutaka; Tanaka, Hisaaki; Marumoto, Kazuhiro; Ito, Hiroshi; Kuroda, Shin-Ichi","Dynamical valence fluctuation at the charge-density-wave phase boundary in iodide-bridged Pt compound [Pt(chxn)2I]I2.","Journal of the American Chemical Society","2006","128","19","6420","6425","10.1021/ja060193b","","","0.7107","MoKα","","0.0243","0.0219","","","0.0435","0.0454","","","","","","1.201","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101477","10.2537","0.0003","12.326","0.0005","14.6483","0.0007","84.445","0.003","81.887","0.002","72.518","0.003","1745.27","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H56 Si4 Zr -","- C30 H56 Si4 Zr -","- C60 H112 Si8 Zr2 -","2","1","","Bradley, Christopher A; Lobkovsky, Emil; Keresztes, Ivan; Chirik, Paul J","Synthesis of bis(indenyl)zirconium dihydrides and subsequent rearrangement to eta5,eta3-4,5-dihydroindenediyl ligands: evidence for intermediates during the hydrogenation to tetrahydroindenyl derivatives.","Journal of the American Chemical Society","2006","128","19","6454","6467","10.1021/ja060472z","","","0.71073","MoKα","","0.054","0.0431","","","0.0944","0.0988","","","","","","1.081","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101478","10.9586","0.0006","13.292","0.0006","17.4629","0.0009","90","","99.763","0.002","90","","2506.8","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Zr -","- C30 H40 Zr -","- C120 H160 Zr4 -","4","1","","Bradley, Christopher A; Lobkovsky, Emil; Keresztes, Ivan; Chirik, Paul J","Synthesis of bis(indenyl)zirconium dihydrides and subsequent rearrangement to eta5,eta3-4,5-dihydroindenediyl ligands: evidence for intermediates during the hydrogenation to tetrahydroindenyl derivatives.","Journal of the American Chemical Society","2006","128","19","6454","6467","10.1021/ja060472z","","","0.71073","MoKα","","0.0522","0.0333","","","0.0788","0.0845","","","","","","1.047","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101479","16.1719","0.0007","9.563","0.0004","17.0533","0.0006","90","","93.25","0.001","90","","2633.08","0.18","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 Zr0.5 -","- C15 H20 Zr0.5 -","- C120 H160 Zr4 -","8","1","","Bradley, Christopher A; Lobkovsky, Emil; Keresztes, Ivan; Chirik, Paul J","Synthesis of bis(indenyl)zirconium dihydrides and subsequent rearrangement to eta5,eta3-4,5-dihydroindenediyl ligands: evidence for intermediates during the hydrogenation to tetrahydroindenyl derivatives.","Journal of the American Chemical Society","2006","128","19","6454","6467","10.1021/ja060472z","","","0.71073","MoKα","","0.0376","0.0285","","","0.0674","0.0701","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101480","10.8829","0.0012","13.5285","0.0015","17.1963","0.0019","90","","100.158","0.006","90","","2492.1","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Zr -","- C30 H40 Zr -","- C120 H160 Zr4 -","4","1","","Bradley, Christopher A; Lobkovsky, Emil; Keresztes, Ivan; Chirik, Paul J","Synthesis of bis(indenyl)zirconium dihydrides and subsequent rearrangement to eta5,eta3-4,5-dihydroindenediyl ligands: evidence for intermediates during the hydrogenation to tetrahydroindenyl derivatives.","Journal of the American Chemical Society","2006","128","19","6454","6467","10.1021/ja060472z","","","0.71073","MoKα","","0.0501","0.0304","","","0.0758","0.0817","","","","","","1.046","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101481","8.7756","0.0001","13.9797","0.0002","12.4209","0.0001","90","","95.397","0.001","90","","1517.04","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cl N Pd -","- C15 H22 Cl N Pd -","- C60 H88 Cl4 N4 Pd4 -","4","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0288","0.028","","","0.0735","0.0742","","","","","","1.043","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101482","8.1918","0.0013","10.394","0.0016","14.768","0.002","83.97","0.003","76.233","0.003","69.495","0.003","1143.6","0.3","125","2","125","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C26 H28 Cl N2 Pd -","- C26 H28 Cl N2 Pd -","- C52 H56 Cl2 N4 Pd2 -","2","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","0.71073","MoKα","","0.0467","0.037","","","0.0951","0.1034","","","","","","1.053","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101483","13.2654","0.0002","13.3187","0.0002","19.3102","0.0004","90","","90","","90","","3411.69","0.1","125","2","125","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 Cl N2 Pd -","- C19 H17 Cl N2 Pd -","- C152 H136 Cl8 N16 Pd8 -","8","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0622","0.0471","","","0.128","0.1362","","","","","","0.982","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101484","10.3658","0.0001","12.3444","0.0001","14.4307","0.0002","91.696","0.001","109.563","0.001","100.612","0.001","1701.87","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C34 H49 Cl N P Pd -","- C34 H49 Cl N P Pd -","- C68 H98 Cl2 N2 P2 Pd2 -","2","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0524","0.0478","","","0.1459","0.1688","","","","","","1.139","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101485","17.481","0.003","16.598","0.003","17.74","0.003","90","","109.518","0.007","90","","4851.6","1.3","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H79 Cl P2 Pd2 -","- C54 H79 Cl P2 Pd2 -","- C216 H316 Cl4 P8 Pd8 -","4","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.09","0.0549","","","0.1253","0.1386","","","","","","0.976","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101486","13.8689","0.0003","14.2117","0.0003","19.1372","0.0006","90","","104.345","0.002","90","","3654.35","0.16","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","C 1 c 1","C -2yc","9","","","","- C45 H37 Cl P2 Pd2 -","- C45 H37 Cl P2 Pd2 -","- C180 H148 Cl4 P8 Pd8 -","4","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0541","0.0535","","","0.1369","0.1375","","","","","","1.041","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101487","17.0179","0.0002","9.4258","0.0001","18.1497","0.0003","90","","115.208","0.001","90","","2634.09","0.06","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Cl2 N P Pd -","- C25 H42 Cl2 N P Pd -","- C100 H168 Cl8 N4 P4 Pd4 -","4","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0324","0.0308","","","0.0798","0.0811","","","","","","1.039","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101488","27.95","0.005","23.526","0.004","28.457","0.005","90","","112.113","0.003","90","","17336","5","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 N3 Ni O4 Rh S2 -","- C16 H28 N3 Ni O4 Rh S2 -","- C512 H896 N96 Ni32 O128 Rh32 S64 -","32","4","","Green, Kayla N; Jeffery, Stephen P; Reibenspies, Joseph H; Darensbourg, Marcetta Y","A nickel tripeptide as a metallodithiolate ligand anchor for resin-bound organometallics.","Journal of the American Chemical Society","2006","128","19","6493","6498","10.1021/ja060876r","","","0.71073","MoKα","","0.0722","0.0551","","","0.1273","0.1435","","","","","","1.091","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101489","9.991","0.002","11.55","0.003","16.844","0.004","90","","90","","90","","1943.7","0.8","110","2","110","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 F6 N2 Ni O2 Rh S3 -","- C12 H20 F6 N2 Ni O2 Rh S3 -","- C48 H80 F24 N8 Ni4 O8 Rh4 S12 -","4","1","","Green, Kayla N; Jeffery, Stephen P; Reibenspies, Joseph H; Darensbourg, Marcetta Y","A nickel tripeptide as a metallodithiolate ligand anchor for resin-bound organometallics.","Journal of the American Chemical Society","2006","128","19","6493","6498","10.1021/ja060876r","","","0.71073","MoKα","","0.0233","0.023","","","0.0546","0.0548","","","","","","1.068","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101490","12.1805","0.0016","12.6262","0.0018","15.275","0.002","90.928","0.002","99.04","0.002","97.883","0.003","2296.4","0.6","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H68 Lu N3 Si3 -","- C39 Lu N3 Si3 -","- C78 Lu2 N6 Si6 -","2","1","","Jantunen, Kimberly C; Scott, Brian L; Hay, P Jeffrey; Gordon, John C; Kiplinger, Jaqueline L","Dearomatization and functionalization of terpyridine by lutetium(III) alkyl complexes.","Journal of the American Chemical Society","2006","128","19","6322","6323","10.1021/ja061161r","","","0.71073","MoKα","","0.1037","0.0542","","","0.1251","0.1423","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101491","10.7538","0.0014","11.8122","0.0016","20.525","0.003","98.937","0.002","92.135","0.003","113.937","0.002","2339.4","0.5","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H72 Lu N3 Si2 -","- C45 H63 Lu N3 Si2 -","- C90 H126 Lu2 N6 Si4 -","2","1","","Jantunen, Kimberly C; Scott, Brian L; Hay, P Jeffrey; Gordon, John C; Kiplinger, Jaqueline L","Dearomatization and functionalization of terpyridine by lutetium(III) alkyl complexes.","Journal of the American Chemical Society","2006","128","19","6322","6323","10.1021/ja061161r","","","0.71073","MoKα","","0.077","0.0438","","","0.0779","0.0857","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101492","8.137","0.005","9.213","0.006","9.283","0.006","71.34","0.009","87.737","0.009","73.338","0.009","630.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Br N O3 -","- C12 H16 Br N O3 -","- C24 H32 Br2 N2 O6 -","2","1","","Yeung, Ying-Yeung; Hong, Sungwoo; Corey, E J","A short enantioselective pathway for the synthesis of the anti-influenza neuramidase inhibitor oseltamivir from 1,3-butadiene and acrylic acid.","Journal of the American Chemical Society","2006","128","19","6310","6311","10.1021/ja0616433","","","0.71073","MoKα","","0.0273","0.0251","","","0.0628","0.0639","","","","","","1.041","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101493","10.836","0.002","23.767","0.005","9.844","0.002","90","","122.091","0.003","90","","2147.8","0.8","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H25 Br Cl2 N2 O5 -","- C16 H25 Br Cl2 N2 O5 -","- C64 H100 Br4 Cl8 N8 O20 -","4","1","","Yeung, Ying-Yeung; Hong, Sungwoo; Corey, E J","A short enantioselective pathway for the synthesis of the anti-influenza neuramidase inhibitor oseltamivir from 1,3-butadiene and acrylic acid.","Journal of the American Chemical Society","2006","128","19","6310","6311","10.1021/ja0616433","","","0.71073","MoKα","","0.0305","0.0275","","","0.0642","0.0653","","","","","","1.017","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101494","7.076","0.005","7.693","0.005","12.82","0.01","77.94","0.03","84.96","0.03","75.35","0.03","659.7","0.8","123.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C30 H36 N4 O2 -","2","1","","Shintani, Ryo; Hayashi, Tamio","Palladium-catalyzed [3 + 3] cycloaddition of trimethylenemethane with azomethine imines.","Journal of the American Chemical Society","2006","128","19","6330","6331","10.1021/ja061662c","","","0.7107","MoKα","","","0.046","","","","0.064","","","","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101495","10.2735","0.0006","14.111","0.002","15.4467","0.0015","102.224","0.008","105.077","0.006","94.414","0.007","2092.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","tpy-xy-TPH2(NO2)+","","","- C49 H38.5 B F4 N6.5 O2 -","- C49 H38.5 B F4 N6.5 O2 -","- C98 H77 B2 F8 N13 O4 -","2","1","","Lainé, Philippe P; Bedioui, Fethi; Loiseau, Frédérique; Chiorboli, Claudio; Campagna, Sebastiano","Conformationally gated photoinduced processes within photosensitizer-acceptor dyads based on osmium(II) complexes with triarylpyridinio-functionalized terpyridyl ligands: insights from experimental study.","Journal of the American Chemical Society","2006","128","23","7510","7521","10.1021/ja058357w","","","0.71073","MoKα","","0.1166","0.0659","","","0.1806","0.2255","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101496","40.8437","0.0003","40.8437","0.0003","28.724","0.0001","90","","90","","120","","41497.9","0.5","100","0.1","100","0.1","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","abp02","","","- C63 H95 N11 O45.5 -","- C63 H95 N11 O45.5 -","- C756 H1140 N132 O546 -","12","1","","Grotenbreg, Gijsbert M; Buizert, Annelies E M; Llamas-Saiz, Antonio L; Spalburg, Emile; van Hooft, Peter A V; de Neeling, Albert J; Noort, Daan; van Raaij, Mark J; van der Marel, Gijsbert A; Overkleeft, Herman S; Overhand, Mark","Beta-turn modified gramicidin S analogues containing arylated sugar amino acids display antimicrobial and hemolytic activity comparable to the natural product.","Journal of the American Chemical Society","2006","128","23","7559","7565","10.1021/ja0588510","","","0.97565","synchrotron","","0.1258","0.1152","","","0.3249","0.3391","","","","","","1.629","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101497","10.516","0.002","9.554","0.0019","16.67","0.003","90","","90","","90","","1674.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Wan, Xiaobing; Ma, Zhongxun; Li, Bijie; Zhang, Keya; Cao, Shaokui; Zhang, Shiwei; Shi, Zhangjie","Highly selective C-H functionalization/halogenation of acetanilide.","Journal of the American Chemical Society","2006","128","23","7416","7417","10.1021/ja060232j","","","0.71073","MoKα","","0.067","0.0323","","","0.0634","0.0663","","","","","","0.936","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101498","9.3602","0.0019","12.29","0.003","8.59","0.0017","90","","105.34","0.03","90","","953","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","Wan, Xiaobing; Ma, Zhongxun; Li, Bijie; Zhang, Keya; Cao, Shaokui; Zhang, Shiwei; Shi, Zhangjie","Highly selective C-H functionalization/halogenation of acetanilide.","Journal of the American Chemical Society","2006","128","23","7416","7417","10.1021/ja060232j","","","0.71073","MoKα","","0.0977","0.0551","","","0.1391","0.1548","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101499","7.5315","0.0015","19.034","0.004","8.174","0.0016","90","","104.27","0.03","90","","1135.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 F N2 O4 -","- C10 H11 F N2 O4 -","- C40 H44 F4 N8 O16 -","4","2","","Lu, Shao-Feng; Du, Da-Ming; Xu, Jiaxi; Zhang, Shi-Wei","Asymmetric Michael addition of nitroalkanes to nitroalkenes catalyzed by C2-symmetric tridentate bis(oxazoline) and bis(thiazoline) zinc complexes.","Journal of the American Chemical Society","2006","128","23","7418","7419","10.1021/ja0604008","","","0.71073","MoKα","","0.1003","0.0577","","","0.1405","0.154","","","","","","0.999","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101500","5.9181","0.0012","7.2067","0.0014","28.153","0.006","90","","90","","90","","1200.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 Cl N2 O4 -","- C10 H11 Cl N2 O4 -","- C40 H44 Cl4 N8 O16 -","4","1","","Lu, Shao-Feng; Du, Da-Ming; Xu, Jiaxi; Zhang, Shi-Wei","Asymmetric Michael addition of nitroalkanes to nitroalkenes catalyzed by C2-symmetric tridentate bis(oxazoline) and bis(thiazoline) zinc complexes.","Journal of the American Chemical Society","2006","128","23","7418","7419","10.1021/ja0604008","","","0.71073","MoKα","","0.0718","0.0314","","","0.0467","0.0503","","","","","","0.808","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101501","22.8553","0.0007","22.8553","0.0007","60.016","0.004","90","","90","","120","","27150","2","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C376 H324 N47 O16 Zn6 -","- C376 H324 N47 O16 Zn6 -","- C1128 H972 N141 O48 Zn18 -","3","0.166667","","Kamada, Taisuke; Aratani, Naoki; Ikeda, Toshiaki; Shibata, Naoki; Higuchi, Yoshiki; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Kim, Kil Suk; Yoon, Zin Seok; Kim, Dongho; Osuka, Atsuhiro","High fidelity self-sorting assembling of meso-cinchomeronimide appended meso-meso linked Zn(II) diporphyrins.","Journal of the American Chemical Society","2006","128","23","7670","7678","10.1021/ja0611137","","","0.71073","MoKα","","0.2003","0.0992","","","0.2875","0.33","","","","","","0.969","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101502","29.95","0.03","54.46","0.05","30.26","0.03","90","","111.06","0.05","90","","46062","79","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C522 H722 N60 O20 Zn10 -","- C522 H110 N60 O20 Zn10 -","- C1044 H220 N120 O40 Zn20 -","2","1","","Kamada, Taisuke; Aratani, Naoki; Ikeda, Toshiaki; Shibata, Naoki; Higuchi, Yoshiki; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Kim, Kil Suk; Yoon, Zin Seok; Kim, Dongho; Osuka, Atsuhiro","High fidelity self-sorting assembling of meso-cinchomeronimide appended meso-meso linked Zn(II) diporphyrins.","Journal of the American Chemical Society","2006","128","23","7670","7678","10.1021/ja0611137","","","0.6","Synchrotron","","0.1277","0.1147","","","0.3123","0.3186","","","","","","2.415","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101503","8.1123","0.0018","20.867","0.002","10.8576","0.0013","90","","93.051","0.012","90","","1835.3","0.5","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Fe O2 -","- C23 H22 Fe O2 -","- C92 H88 Fe4 O8 -","4","1","","Gregson, Charlotte K A; Gibson, Vernon C; Long, Nicholas J; Marshall, Edward L; Oxford, Phillip J; White, Andrew J P","Redox control within single-site polymerization catalysts.","Journal of the American Chemical Society","2006","128","23","7410","7411","10.1021/ja061398n","","","1.54178","CuKα","","0.1411","0.0717","","","0.1358","0.1553","","","","","","1.009","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101504","12.665","0.0003","20.524","0.0005","19.944","0.0005","90","","96.16","","90","","5154.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 I O3 Si -","- C23 I O3 Si -","- C184 I8 O24 Si8 -","8","2","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","","0.71073","MoKα","","0.1879","0.0834","","","0.1834","0.2367","","","","","","0.937","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101505","15.831","0.007","15.831","0.004","5.792","0.0014","90","","90","0.003","120","","1257.1","0.7","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C15 H15 I O3 -","- C15 I O3 -","- C45 I3 O9 -","3","1","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","","0.71073","MoKα","","0.089","0.0615","","","0.1583","0.169","","","","","","0.654","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101506","8.878","0.007","12.732","0.004","25.155","0.0014","90","","90","","90","","2843","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N2 O5 -","- C31 H33 N2 O5 -","- C124 H132 N8 O20 -","4","1","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","","0.71069","MoKα","","0.1446","0.0716","","","0.1533","0.1883","","","","","","0.98","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101507","18.5","0.005","8.743","0.002","11.512","0.003","90","","124.481","0.004","90","","1535","0.7","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H19 I O4 -","- C14 H19 I O4 -","- C56 H76 I4 O16 -","4","1","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","x-ray","0.71073","MoKα","","0.0586","0.0563","","","0.1129","0.1138","","","","","","1.344","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101508","18.482","0.004","8.7351","0.0018","11.511","0.002","90","","124.485","0.002","90","","1531.8","0.5","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H19 I O4 -","- C14 H19 I O4 -","- C56 H76 I4 O16 -","4","1","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","x-ray","0.71073","MoKα","","0.0551","0.0509","","","0.0976","0.099","","","","","","1.277","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101509","7.3656","0.0008","8.1841","0.001","13.2944","0.0015","98.814","0.002","93.413","0.002","103.371","0.002","766.7","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C38 H40 O4 -","2","1","","Shi, Min; Liu, Le-Ping; Tang, Jie","Palladium-catalyzed ring enlargement of aryl-substituted methylenecyclopropanes to cyclobutenes.","Journal of the American Chemical Society","2006","128","23","7430","7431","10.1021/ja061749y","","","0.71073","MoKα","","0.103","0.0446","","","0.0698","0.0845","","","","","","0.791","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101510","12.1007","0.0018","11.1744","0.0007","19.3198","0.0018","90","","106.728","0.01","90","","2501.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 Li N O2 Zn -","- C24 H42 Li N O2 Zn -","- C96 H168 Li4 N4 O8 Zn4 -","4","1","","Clegg, William; Dale, Sophie H; Drummond, Allison M; Hevia, Eva; Honeyman, Gordon W; Mulvey, Robert E","Alkali-metal-mediated zincation of anisole: synthesis and structures of three instructive ortho-zincated complexes.","Journal of the American Chemical Society","2006","128","23","7434","7435","10.1021/ja061898g","","","0.71073","MoKα","","0.0568","0.0319","","","0.0644","0.0717","","","","","","1.019","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101511","14.47","0.004","11.4161","0.0014","16.167","0.004","90","","93.35","0.02","90","","2666.1","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 Li N O3 Zn -","- C27 H40 Li N O3 Zn -","- C108 H160 Li4 N4 O12 Zn4 -","4","1","","Clegg, William; Dale, Sophie H; Drummond, Allison M; Hevia, Eva; Honeyman, Gordon W; Mulvey, Robert E","Alkali-metal-mediated zincation of anisole: synthesis and structures of three instructive ortho-zincated complexes.","Journal of the American Chemical Society","2006","128","23","7434","7435","10.1021/ja061898g","","","0.71073","MoKα","","0.0905","0.0571","","","0.0856","0.0939","","","","","","1.137","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101512","10.399","0.002","11.205","0.002","11.914","0.003","88.22","0.003","75.45","0.003","87.077","0.003","1341.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H42 Li N O2 Zn -","- C27 H42 Li N O2 Zn -","- C54 H84 Li2 N2 O4 Zn2 -","2","1","","Clegg, William; Dale, Sophie H; Drummond, Allison M; Hevia, Eva; Honeyman, Gordon W; Mulvey, Robert E","Alkali-metal-mediated zincation of anisole: synthesis and structures of three instructive ortho-zincated complexes.","Journal of the American Chemical Society","2006","128","23","7434","7435","10.1021/ja061898g","","","0.71073","MoKα","","0.0587","0.0526","","","0.1029","0.105","","","","","","1.248","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101513","6.9746","0.0011","12.471","0.002","7.7054","0.0012","90","","102.12","0.002","90","","655.29","0.18","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H15 F Mo O2 -","- C13 H15 F Mo O2 -","- C26 H30 F2 Mo2 O4 -","2","0.5","","Huang, Hui; Hughes, Russell P; Landis, Clark R; Rheingold, Arnold L","The simplest binary fluorocarbon as a ligand. Synthetic, spectroscopic, crystallographic, and computational studies of a molybdenum complex of terminally ligated carbon monofluoride (fluoromethylidyne).","Journal of the American Chemical Society","2006","128","23","7454","7455","10.1021/ja062510k","","","0.71073","MoKα","","0.0236","0.0229","","","0.0738","0.0743","","","","","","1.458","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101514","8.84","0.0014","11.1894","0.0017","22.168","0.003","90","","93.529","0.003","90","","2188.6","0.6","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Co2 F Mo O8 -","- C19 H15 Co2 F Mo O8 -","- C76 H60 Co8 F4 Mo4 O32 -","4","1","","Huang, Hui; Hughes, Russell P; Landis, Clark R; Rheingold, Arnold L","The simplest binary fluorocarbon as a ligand. Synthetic, spectroscopic, crystallographic, and computational studies of a molybdenum complex of terminally ligated carbon monofluoride (fluoromethylidyne).","Journal of the American Chemical Society","2006","128","23","7454","7455","10.1021/ja062510k","","","0.71073","MoKα","","0.0787","0.0499","","","0.0906","0.0973","","","","","","1.005","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101515","45.505","0.003","11.4419","0.0007","31.3536","0.0019","90","","129.181","0.002","90","","12654.1","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65.5 H104.5 N2.5 S3 U -","- C66 H102 N2 S3 U -","- C528 H816 N16 S24 U8 -","8","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0725","0.0431","","","0.1008","0.1074","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101516","11.937","0.0005","20.7998","0.0007","19.5467","0.0007","90","","90.212","0.002","90","","4853.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H83 N3 S Si6 U -","- C36 H83 N3 S Si6 U -","- C144 H332 N12 S4 Si24 U4 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0353","0.0258","","","0.0575","0.0602","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101517","13.9906","0.0008","32.6564","0.0019","19.4059","0.0007","90","","107.758","0.003","90","","8443.8","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C90 H134 S4 U -","- C90 H134 S4 U -","- C360 H536 S16 U4 -","4","0.5","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0447","0.034","","","0.0698","0.0735","","","","","","1.014","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101518","10.1653","0.0002","37.649","0.0014","14.3213","0.0006","90","","100.07","0.002","90","","5396.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H87 S3 U -","- C54 H87 S3 U -","- C216 H348 S12 U4 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.049","0.032","","","0.0615","0.0669","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101519","10.1325","0.0004","37.693","0.004","14.3913","0.0008","90","","99.949","0.003","90","","5413.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H87 La S3 -","- C54 H87 La S3 -","- C216 H348 La4 S12 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0853","0.0729","","","0.17","0.1802","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101520","16.0518","0.0005","37.544","0.001","18.9539","0.0012","90","","110.052","0.002","90","","10730.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H87 La S3 -","- C54 H87 La S3 -","- C432 H696 La8 S24 -","8","2","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0849","0.0654","","","0.1513","0.1654","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101521","10.1207","0.0005","37.6","0.002","14.3679","0.0009","90","","100.07","0.004","90","","5383.3","0.5","135","2","135","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H87 Ce S3 -","- C54 H87 Ce S3 -","- C216 H348 Ce4 S12 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.1789","0.0925","","","0.2188","0.2545","","","","","","0.97","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101522","10.1384","0.0009","37.698","0.004","14.3383","0.0011","90","","100.008","0.006","90","","5396.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H87 Pr S3 -","- C54 H87 Pr S3 -","- C216 H348 Pr4 S12 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.1143","0.0461","","","0.0788","0.0919","","","","","","0.887","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101523","10.1528","0.0004","37.6336","0.0017","14.3232","0.0006","90","","100.054","0.003","90","","5388.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H87 Nd S3 -","- C54 H87 Nd S3 -","- C216 H348 Nd4 S12 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0482","0.0334","","","0.0686","0.074","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101524","19.967","0.009","10.206","0.005","12.039","0.006","90","","90","","90","","2453","2","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H44 Li N O Zn -","- C21 H44 Li N O Zn -","- C84 H176 Li4 N4 O4 Zn4 -","4","0.5","","Uchiyama, Masanobu; Matsumoto, Yotaro; Nobuto, Daisuke; Furuyama, Taniyuki; Yamaguchi, Kentaro; Morokuma, Keiji","Structure and reaction pathway of TMP-Zincate: amido base or alkyl base?","Journal of the American Chemical Society","2006","128","27","8748","8750","10.1021/ja060489h","","","0.71073","MoKα","","0.0468","0.0386","","","0.1123","0.1213","","","","","","1.047","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101525","8.1006","0.0007","12.2801","0.0012","17.1807","0.0016","101.513","0.005","93.354","0.004","98.714","0.004","1648.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H44 O2 P2 Si2 -","- C32 H44 O2 P2 Si2 -","- C64 H88 O4 P4 Si4 -","2","1","","Wright, Vincent A; Patrick, Brian O; Schneider, Celine; Gates, Derek P","Phosphorus copies of PPV: pi-conjugated polymers and molecules composed of alternating phenylene and phosphaalkene moieties.","Journal of the American Chemical Society","2006","128","27","8836","8844","10.1021/ja060816l","","","0.71069","MoKα","","0.0734","0.0416","","","0.0939","0.1025","","","","","","0.923","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101526","9.769","0.0012","9.0886","0.0008","17.49","0.002","90","","94.19","0.004","90","","1548.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 O2 P2 Si2 -","- C30 H40 O2 P2 Si2 -","- C60 H80 O4 P4 Si4 -","2","0.5","","Wright, Vincent A; Patrick, Brian O; Schneider, Celine; Gates, Derek P","Phosphorus copies of PPV: pi-conjugated polymers and molecules composed of alternating phenylene and phosphaalkene moieties.","Journal of the American Chemical Society","2006","128","27","8836","8844","10.1021/ja060816l","","","0.71073","MoKα","","0.0589","0.0475","","","0.1281","0.1378","","","","","","1.05","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101527","7.806","0.001","16.799","0.002","14.801","0.002","90","","101.78","0.01","90","","1900","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 O P Si -","- C19 H25 O P Si -","- C76 H100 O4 P4 Si4 -","4","1","","Wright, Vincent A; Patrick, Brian O; Schneider, Celine; Gates, Derek P","Phosphorus copies of PPV: pi-conjugated polymers and molecules composed of alternating phenylene and phosphaalkene moieties.","Journal of the American Chemical Society","2006","128","27","8836","8844","10.1021/ja060816l","","","0.71073","MoKα","","0.0429","0.0351","","","0.1033","0.1079","","","","","","1.117","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101528","27.7508","0.0005","25.2969","0.0007","13.7923","0.0004","90","","90","","90","","9682.3","0.3","298","","","","","","","","","","Synthetic","2","F m m m","-F 2 2","69","ITQ-27","silicogermanate","","- O38 Si19 -","- O38 Si19 -","- O304 Si152 -","8","0.25","","Dorset, Douglas L; Kennedy, Gordon J; Strohmaier, Karl G; Diaz-Cabañas, Maria J; Rey, Fernando; Corma, Avelino","P-derived organic cations as structure-directing agents: synthesis of a high-silica zeolite (ITQ-27) with a two-dimensional 12-ring channel system.","Journal of the American Chemical Society","2006","128","27","8862","8867","10.1021/ja061206o","powder diffraction","x-ray","0.8702","","","","","","","","","0.11785","","1.95","","","","","","","has coordinates,has Fobs","178761","2020-10-21","18:00:00",""
"4101529","13.8184","0.0004","13.8184","0.0004","10.0456","0.0007","90","","90","","90","","1918.19","0.16","293","2","293","2","","","","","","","","8","I -4 m 2","I -4 -2","119","","","","- Cs H10.84 K N2.71 Rb1.29 S17 Sn5 Zn4 -","- Cs K N2.72 Rb1.292 S17 Sn5 Zn4 -","- Cs2 K2 N5.44 Rb2.584 S34 Sn10 Zn8 -","2","0.125","","Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G","Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].","Journal of the American Chemical Society","2006","128","27","8875","8883","10.1021/ja061342t","","","0.71073","MoKα","","0.0642","0.0468","","","0.0825","0.0888","","","","","","1.041","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101530","13.829","0.005","13.829","0.005","9.81","0.007","90","","90","","90","","1876","1.5","293","2","293","2","","","","","","","","6","I -4 m 2","I -4 -2","119","","","","- H5.64 K4.59 N1.41 S17 Sn5 Zn4 -","- K4.6 N1.4 S17 Sn5 Zn4 -","- K9.2 N2.8 S34 Sn10 Zn8 -","2","0.125","","Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G","Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].","Journal of the American Chemical Society","2006","128","27","8875","8883","10.1021/ja061342t","","","0.71073","MoKα","","0.102","0.0685","","","0.1326","0.1634","","","","","","1.078","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101531","13.8142","0.0009","13.8142","0.0009","9.6824","0.0012","90","","90","","90","","1847.7","0.3","293","2","293","2","","","","","","","","6","I -4 m 2","I -4 -2","119","","","","- H4 K5 N S17 Sn5 Zn4 -","- H4 K5 N S17 Sn5 Zn4 -","- H8 K10 N2 S34 Sn10 Zn8 -","2","0.125","","Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G","Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].","Journal of the American Chemical Society","2006","128","27","8875","8883","10.1021/ja061342t","","","0.71073","MoKα","","0.0719","0.0554","","","0.1239","0.1451","","","","","","1.151","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101532","13.843","0.002","13.843","0.002","9.69","0.003","90","","90","","90","","1856.8","0.7","293","2","293","2","","","","","","","","5","I -4 m 2","I -4 -2","119","","","","- Cs K5 S17 Sn5 Zn4 -","- Cs K5 S17 Sn5 Zn4 -","- Cs2 K10 S34 Sn10 Zn8 -","2","0.125","","Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G","Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].","Journal of the American Chemical Society","2006","128","27","8875","8883","10.1021/ja061342t","","","0.71073","MoKα","","0.0726","0.0682","","","0.1795","0.1817","","","","","","1.274","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101533","13.8455","0.0006","13.8455","0.0006","10.0731","0.0009","90","","90","","90","","1931","0.2","293","2","293","2","","","","","","","","6","I -4 m 2","I -4 -2","119","","","","- H20 K N5 S17 Sn5 Zn4 -","- K1.04 N5 S17 Sn5 Zn4 -","- K2.08 N10 S34 Sn10 Zn8 -","2","0.125","","Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G","Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].","Journal of the American Chemical Society","2006","128","27","8875","8883","10.1021/ja061342t","","","0.71073","MoKα","","0.0272","0.0243","","","0.0786","0.0799","","","","","","1.207","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101534","25.3588","0.0006","14.9668","0.0003","39.4062","0.0009","90","","95.315","0.002","90","","14891.9","0.6","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CeSc2N@C80.NiOEP.2benzene","","","- C128 H56 Ce N5 Ni Sc2 -","- C128 H56 Ce N5 Ni Sc2 -","- C1024 H448 Ce8 N40 Ni8 Sc16 -","8","1","","Wang, Xuelei; Zuo, Tianming; Olmstead, Marilyn M; Duchamp, James C; Glass, Thomas E; Cromer, Frank; Balch, Alan L; Dorn, Harry C","Preparation and structure of CeSc2N@C80: an icosahedral carbon cage enclosing an acentric CeSc2N unit with buried f electron spin.","Journal of the American Chemical Society","2006","128","27","8884","8889","10.1021/ja061434i","","","0.71073","MoKα","","0.0938","0.0444","","","0.0999","0.117","","","","","","1.016","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101535","19.8805","0.001","11.7498","0.0006","31.4557","0.0015","90","","90","","90","","7347.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N2 O10 S4 -","- C36 H36 N2 O10 S4 -","- C288 H288 N16 O80 S32 -","8","1","","Lukin, Oleg; Gramlich, Volker; Kandre, Ramchandra; Zhun, Igor; Felder, Thorsten; Schalley, Christoph A; Dolgonos, Grigoriy","Designer dendrimers: branched oligosulfonimides with controllable molecular architectures.","Journal of the American Chemical Society","2006","128","27","8964","8974","10.1021/ja061606b","","","0.71073","MoKα","","0.1384","0.0572","","","0.1135","0.1217","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101536","6.9331","0.0014","18.493","0.002","19.158","0.003","114.416","0.013","99.884","0.015","96.367","0.013","2157.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 N3 O10 S4 -","- C44 H44 N3 O10 S4 -","- C88 H88 N6 O20 S8 -","2","1","","Lukin, Oleg; Gramlich, Volker; Kandre, Ramchandra; Zhun, Igor; Felder, Thorsten; Schalley, Christoph A; Dolgonos, Grigoriy","Designer dendrimers: branched oligosulfonimides with controllable molecular architectures.","Journal of the American Chemical Society","2006","128","27","8964","8974","10.1021/ja061606b","","","0.71073","MoKα","","0.1056","0.0679","","","0.1565","0.1774","","","","","","1.073","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101537","20.353","0.012","14.477","0.009","12.291","0.008","90","","115.3","0.013","90","","3274","3","114","2","114","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H8 Cl2 Mn3 N24 O12 -","- C46 H8 Cl2 Mn3 N24 O12 -","- C92 H16 Cl4 Mn6 N48 O24 -","2","0.25","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.71073","MoKα","","0.1273","0.0836","","","0.2268","0.2643","","","","","","1.063","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101538","10.491","0.003","16.446","0.005","19.412","0.007","74.64","0.01","82.81","0.01","78.35","0.01","3153.8","1.8","173","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H12 Mn4 N36 O15 -","- C84 H12 Mn4 N36 O15 -","- C84 H12 Mn4 N36 O15 -","1","0.5","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.775","synchrotron","","0.2068","0.1407","","","0.3373","0.393","","","","","","1.033","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101539","11.5713","0.0019","11.736","0.002","13.619","0.002","92.869","0.013","114.443","0.014","107.988","0.015","1567.4","0.5","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H55 N29 O8 Zn3 -","- C45 H32 N30 O11 Zn3 -","- C45 H32 N30 O11 Zn3 -","1","0.5","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.71073","MoKα","","0.0911","0.0684","","","0.2028","0.2155","","","","","","1.064","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101540","11.693","0.003","11.994","0.005","13.753","0.003","92.97","0.03","114.36","0.02","108.354","0.017","1630.5","0.8","159","2","159","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H12 Mn3 N29 O10 -","- C39 H12 Mn3 N29 O10 -","- C39 H12 Mn3 N29 O10 -","1","0.5","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.71073","MoKα","","0.1353","0.0851","","","0.2519","0.2811","","","","","","1.07","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101541","33.018","0.007","33.018","0.007","8.603","0.001","90","","90","","120","","8123","3","176","2","176","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C20.4 H6 Cl3 Mn3 N14.4 O13.32 -","- C20.4 H6 Cl3 Mn3 N14.4 O13.3 -","- C122.4 H36 Cl18 Mn18 N86.4 O79.8 -","6","0.333333","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.71073","MoKα","","0.1107","0.0582","","","0.1467","0.154","","","","","","0.745","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101542","22.34","0.004","7.079","0.001","13.644","0.003","90","","90","","90","","2157.6","0.7","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C23 H8 Cu2 N18 O8 -","- C23 H8 Cu2 N18 O8 -","- C46 H16 Cu4 N36 O16 -","2","0.125","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.775","Synchrotron","","0.0662","0.0613","","","0.1885","0.1937","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101543","16.3151","0.0002","16.4521","0.0003","16.5118","0.0003","90","","90","","90","","4432.06","0.13","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 F2 I2 P2 Pt -","- C18 H24 F2 I2 P2 Pt -","- C144 H192 F16 I16 P16 Pt8 -","8","1","","Yahav-Levi, Anette; Goldberg, Israel; Vigalok, Arkadi","Aryl-halide versus aryl-aryl reductive elimination in Pt(IV)-phosphine complexes.","Journal of the American Chemical Society","2006","128","27","8710","8711","10.1021/ja062166r","","","0.71073","MoKα","","0.0558","0.0389","","","0.086","0.0932","","","","","","1.083","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101544","6.1079","0.0012","8.0645","0.0016","21.987","0.004","90.455","0.003","97.882","0.004","92.898","0.004","1071.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H23 Cl O -","- C28 H23 Cl O -","- C56 H46 Cl2 O2 -","2","1","","Nair, Vijay; Vellalath, Sreekumar; Poonoth, Manojkumar; Suresh, Eringathodi","N-heterocyclic carbene-catalyzed reaction of chalcones and enals via homoenolate: an efficient synthesis of 1,3,4-trisubstituted cyclopentenes.","Journal of the American Chemical Society","2006","128","27","8736","8737","10.1021/ja0625677","","","0.71073","MoKα","","0.1246","0.0602","","","0.1304","0.1627","","","","","","1.011","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101545","9.8167","0.0007","10.4061","0.0007","14.878","0.001","104.959","0.001","91.728","0.001","105.962","0.001","1403.33","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Cl2 N4 O2 S3 -","- C27 H24 Cl2 N4 O2 S3 -","- C54 H48 Cl4 N8 O4 S6 -","2","1","","Casado, Juan; Zgierski, Marek Z; Ewbank, Paul C; Burand, Michael W; Janzen, Daron E; Mann, Kent R; Pappenfus, Ted M; Berlin, Anna; Pérez-Inestrosa, Ezequiel; Ortiz, Rocío Ponce; López Navarrete, Juan T","Exploration of ground and excited electronic states of aromatic and quinoid S,S-dioxide terthiophenes. Complementary systems for enhanced electronic organic materials.","Journal of the American Chemical Society","2006","128","31","10134","10144","10.1021/ja061372w","","","0.71073","MoKα","","0.0525","0.0375","","","0.0754","0.08","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101546","15.412","0.002","15.412","0.002","10.678","0.002","90","","90","","120","","2196.5","0.6","110","2","110","2","","","","","","","","3","R -3 :H","-R 3","148","Compound1","","","- Co Gd7 I12 -","- Co Gd7 I12 -","- Co3 Gd21 I36 -","3","0.166667","","Sweet, Lucas E; Roy, Lindsay E; Meng, Fanqin; Hughbanks, Timothy","Ferromagnetic coupling in hexanuclear gadolinium clusters.","Journal of the American Chemical Society","2006","128","31","10193","10201","10.1021/ja0617690","","","0.71073","MoKα","","0.0282","0.0247","","","0.0492","0.0503","","","","","","1.191","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101547","10.7528","0.0002","20.0172","0.0003","16.6282","0.0003","90","","102.654","0.001","90","","3492.1","0.1","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 Si -","- C46 H38 Si -","- C184 H152 Si4 -","4","1","","Sartin, Matthew M; Boydston, Andrew J; Pagenkopf, Brian L; Bard, Allen J","Electrochemistry, spectroscopy, and electrogenerated chemiluminescence of silole-based chromophores.","Journal of the American Chemical Society","2006","128","31","10163","10170","10.1021/ja0618494","","","0.71073","MoKα","","0.1254","0.0523","","","0.1077","0.1309","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101548","14.5294","0.0005","13.9634","0.0006","22.6549","0.001","90","","107.056","0.003","90","","4394.1","0.3","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C58 H46 Si -","- C58 H46 Si -","- C232 H184 Si4 -","4","2","","Sartin, Matthew M; Boydston, Andrew J; Pagenkopf, Brian L; Bard, Allen J","Electrochemistry, spectroscopy, and electrogenerated chemiluminescence of silole-based chromophores.","Journal of the American Chemical Society","2006","128","31","10163","10170","10.1021/ja0618494","","","0.71073","MoKα","","0.198","0.1006","","","0.1582","0.1833","","","","","","1.324","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101549","10.656","0.005","12.32","0.005","39.125","0.005","90","0.005","95.485","0.005","90","0.005","5113","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 Cl Mo N16 Ni2 O10 -","- C38 H48 Cl Mo N16 Ni2 O10 -","- C152 H192 Cl4 Mo4 N64 Ni8 O40 -","4","1","","Visinescu, Diana; Desplanches, Cédric; Imaz, Inhar; Bahers, Vincent; Pradhan, Rabindranath; Villamena, Frederick A; Guionneau, Philippe; Sutter, Jean-Pascal","Evidence for increased exchange interactions with 5d compared to 4d metal ions. Experimental and theoretical insights into the ferromagnetic interactions of a series of trinuclear [{M(CN)8}3-/NiII] compounds (M = MoV or WV).","Journal of the American Chemical Society","2006","128","31","10202","10212","10.1021/ja061911x","","","0.71069","MoKα","","0.1093","0.0488","","","0.0981","0.1167","","","","","","1.016","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101550","10.668","0.001","12.301","0.001","39.293","0.004","90","","95.53","0.03","90","","5132.2","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 Cl N16 Ni2 O9 W -","- C38 H54 Cl N16 Ni2 O9 W -","- C152 H216 Cl4 N64 Ni8 O36 W4 -","4","1","","Visinescu, Diana; Desplanches, Cédric; Imaz, Inhar; Bahers, Vincent; Pradhan, Rabindranath; Villamena, Frederick A; Guionneau, Philippe; Sutter, Jean-Pascal","Evidence for increased exchange interactions with 5d compared to 4d metal ions. Experimental and theoretical insights into the ferromagnetic interactions of a series of trinuclear [{M(CN)8}3-/NiII] compounds (M = MoV or WV).","Journal of the American Chemical Society","2006","128","31","10202","10212","10.1021/ja061911x","","","0.71073","MoKα","","0.0823","0.0559","","","0.1768","0.224","","","","","","1.209","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101551","14.2074","0.0002","14.2074","0.0002","31.2302","0.0009","90","","90","","120","","5459.27","0.19","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","MIL-96 (Al)","","","- C6 H2 Al1.56 O7.33 -","- C6 H2 Al1.55333 O7.32667 -","- C108 H36 Al27.96 O131.88 -","18","0.75","","Loiseau, Thierry; Lecroq, Ludovic; Volkringer, Christophe; Marrot, Jérôme; Férey, Gérard; Haouas, Mohamed; Taulelle, Francis; Bourrelly, Sandrine; Llewellyn, Philip L; Latroche, Michel","MIL-96, a porous aluminum trimesate 3D structure constructed from a hexagonal network of 18-membered rings and mu3-oxo-centered trinuclear units.","Journal of the American Chemical Society","2006","128","31","10223","10230","10.1021/ja0621086","","","0.71073","MoKα","","0.0717","0.0509","","","0.1578","0.1807","","","","","","1.139","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101552","13.232","0.005","13.929","0.005","18.537","0.005","77.893","0.005","90.229","0.005","67.596","0.005","3075","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H39 B N2 -","- C38 H39 B N2 -","- C152 H156 B4 N8 -","4","2","","Goze, Christine; Ulrich, Gilles; Mallon, Laura J; Allen, Ben D; Harriman, Anthony; Ziessel, Raymond","Synthesis and photophysical properties of borondipyrromethene dyes bearing aryl substituents at the boron center.","Journal of the American Chemical Society","2006","128","31","10231","10239","10.1021/ja062405a","","","0.71069","MoKα","","0.0935","0.0657","","","0.1781","0.2042","","","","","","1.036","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101553","19.7197","0.0003","12.8542","0.0002","22.0126","0.0005","90","","99.871","0.005","90","","5497.2","0.2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 B N2 O2 -","- C32 H39 B N2 O2 -","- C256 H312 B8 N16 O16 -","8","1","","Goze, Christine; Ulrich, Gilles; Mallon, Laura J; Allen, Ben D; Harriman, Anthony; Ziessel, Raymond","Synthesis and photophysical properties of borondipyrromethene dyes bearing aryl substituents at the boron center.","Journal of the American Chemical Society","2006","128","31","10231","10239","10.1021/ja062405a","","","0.71073","Mo-Kα","","0.12","0.061","","0.202","","0.069","","","1.589","","","1.031","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101554","35.642","0.005","35.642","0.005","6.665","0.0005","90","","90","","120","","7332.5","1.6","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","7,7-Diallyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid","","- C15 H26 O6 -","- C15 H24 O5.754 -","- C270 H432 O103.572 -","18","1","","Febles, Martín; Pérez-Hernandez, Natalia; Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Roux, María Victoria; Morales, Ezequiel Q; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Martín, Julio D","Distinct dynamic behaviors of water molecules in hydrated pores.","Journal of the American Chemical Society","2006","128","31","10008","10009","10.1021/ja063223j","","","0.71073","MoKα","","0.1314","0.1113","","","0.3158","0.3377","","","","","","1.041","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101555","35.405","0.005","35.405","0.005","6.626","0.0005","90","","90","","120","","7193","1.4","170","2","170","2","","","","","","","","3","R -3 :H","-R 3","148","","7,7-Diallyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid","","- C15 H26 O6 -","- C15 H24 O5.802 -","- C270 H432 O104.436 -","18","1","","Febles, Martín; Pérez-Hernandez, Natalia; Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Roux, María Victoria; Morales, Ezequiel Q; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Martín, Julio D","Distinct dynamic behaviors of water molecules in hydrated pores.","Journal of the American Chemical Society","2006","128","31","10008","10009","10.1021/ja063223j","","","0.71073","MoKα","","0.1128","0.0909","","","0.2387","0.2544","","","","","","1.081","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101556","35.348","0.005","35.348","0.005","6.6096","0.0006","90","","90","","120","","7152","1.7","115","2","115","2","","","","","","","","3","R -3 :H","-R 3","148","","7,7-Diallyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid","","- C15 H26 O6 -","- C15 H24 O5.82317 -","- C270 H432 O104.817 -","18","1","","Febles, Martín; Pérez-Hernandez, Natalia; Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Roux, María Victoria; Morales, Ezequiel Q; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Martín, Julio D","Distinct dynamic behaviors of water molecules in hydrated pores.","Journal of the American Chemical Society","2006","128","31","10008","10009","10.1021/ja063223j","","","0.71073","MoKα","","0.1","0.0846","","","0.1819","0.1916","","","","","","1.089","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101557","12.154","0.005","16.218","0.007","16.684","0.007","75.872","0.006","79.373","0.008","89.993","0.008","3131","2","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H47 O3 P2 Te W -","- C27 H47 O3 P2 Te W -","- C108 H188 O12 P8 Te4 W4 -","4","2","","McDonough, James E; Weir, John J; Sukcharoenphon, Kengkaj; Hoff, Carl D; Kryatova, Olga P; Rybak-Akimova, Elena V; Scott, Brian L; Kubas, Gregory J; Mendiratta, Arjun; Cummins, Christopher C","Comparison of thermodynamic and kinetic aspects of oxidative addition of PhE-EPh (E = S, Se, Te) to Mo(CO)3(PR3)2, W(CO)3(PR3)2, and Mo(N[tBu]Ar)3 complexes. The role of oxidation state and ancillary ligands in metal complex induced chalcogenyl radical generation.","Journal of the American Chemical Society","2006","128","31","10295","10303","10.1021/ja063250+","","","0.71073","MoKα","","0.1043","0.084","","","0.1985","0.2119","","","","","","1.201","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101558","3.96358","0.00002","3.96358","0.00002","8.51222","0.00007","90","","90","","90","","133.727","0.001","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","?","- Fe2 La2 O2 P2 -","- Fe2 La2 O2 P2 -","","","","Kamihara, Yoichi; Hiramatsu, Hidenori; Hirano, Masahiro; Kawamura, Ryuto; Yanagi, Hiroshi; Kamiya, Toshio; Hosono, Hideo","Iron-based layered superconductor: LaOFeP.","Journal of the American Chemical Society","2006","128","31","10012","10013","10.1021/ja063355c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101559","6.327","0.0002","36.536","0.001","14.262","0.0005","90","","90.552","0.003","90","","3296.7","0.18","10","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H14 P Pd2 S20 -","- C17 H14 P Pd2 S20 -","- C68 H56 P4 Pd8 S80 -","4","1","","Kato, Reizo; Tajima, Akiko; Nakao, Akiko; Tamura, Masafumi","Two pressure-induced superconducting anion radical salts exhibiting different spin states at ambient pressure.","Journal of the American Chemical Society","2006","128","31","10016","10017","10.1021/ja063525l","","","0.7107","MoKα","","","0.063","","","","0.189","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101560","6.3962","0.0003","36.6911","0.0005","7.929","0.0003","90","","114.302","0.002","90","","1695.92","0.1","297","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H14 P Pd2 S20 -","- C17 H14 P Pd2 S20 -","- C34 H28 P2 Pd4 S40 -","2","0.5","","Kato, Reizo; Tajima, Akiko; Nakao, Akiko; Tamura, Masafumi","Two pressure-induced superconducting anion radical salts exhibiting different spin states at ambient pressure.","Journal of the American Chemical Society","2006","128","31","10016","10017","10.1021/ja063525l","","","0.7107","MoKα","","","0.0332","","","","0.0909","","","","","","1.047","","","","has coordinates","134499","2020-10-21","18:00:00",""
"4101561","6.333","0.0003","7.793","0.0004","37.267","0.002","96.164","0.003","90.982","0.004","113.079","0.003","1678.72","0.15","150","","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 As Pd2 S20 -","- C17 H14 As Pd2 S20 -","- C34 H28 As2 Pd4 S40 -","2","1","","Kato, Reizo; Tajima, Akiko; Nakao, Akiko; Tamura, Masafumi","Two pressure-induced superconducting anion radical salts exhibiting different spin states at ambient pressure.","Journal of the American Chemical Society","2006","128","31","10016","10017","10.1021/ja063525l","","","0.7107","MoKα","","","0.0653","","","","0.1723","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101562","14.47","0.003","6.3779","0.0011","37.304","0.007","90","","97.011","0.002","90","","3417.1","1.1","297","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 As Pd2 S20 -","- C17 H14 As Pd2 S20 -","- C68 H56 As4 Pd8 S80 -","4","0.5","","Kato, Reizo; Tajima, Akiko; Nakao, Akiko; Tamura, Masafumi","Two pressure-induced superconducting anion radical salts exhibiting different spin states at ambient pressure.","Journal of the American Chemical Society","2006","128","31","10016","10017","10.1021/ja063525l","","","0.7107","MoKα","","","0.0317","","","","0.0827","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101563","10.2186","0.0017","22.041","0.003","35.814","0.006","90","","92.536","0.007","90","","8058","2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H30 N4 O Zn -","- C50.185 H30 N4 O0.815 Zn -","- C401.48 H240 N32 O6.52 Zn8 -","8","2","","Maeda, Hiromitsu; Hasegawa, Masahiro; Hashimoto, Takashi; Kakimoto, Takuya; Nishio, Satoru; Nakanishi, Takashi","Nanoscale spherical architectures fabricated by metal coordination of multiple dipyrrin moieties.","Journal of the American Chemical Society","2006","128","31","10024","10025","10.1021/ja0637301","","","0.71075","MoKα","","0.1403","0.0782","","","0.1852","0.2178","","","","","","1.035","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101564","25.226","0.005","14.078","0.003","28.556","0.006","90","","90","","90","","10141","3","173","2","173","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C50.5 H74 F3 Fe N O4 P2 Pd S -","- C50.5 H73 F3 Fe N O4 P2 Pd S -","- C404 H584 F24 Fe8 N8 O32 P16 Pd8 S8 -","8","1","","Shen, Qilong; Hartwig, John F","Palladium-catalyzed coupling of ammonia and lithium amide with aryl halides.","Journal of the American Chemical Society","2006","128","31","10028","10029","10.1021/ja064005t","","","0.71073","MoKα","","0.0907","0.0525","","","0.1356","0.1519","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101565","12.365","0.0013","10.4112","0.0007","22.0747","0.0016","90","","115.171","0.006","90","","2571.9","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 O12 -","- C24 H36 O12 -","- C96 H144 O48 -","4","1","","Hamura, Toshiyuki; Ibusuki, Yousuke; Uekusa, Hidehiro; Matsumoto, Takashi; Siegel, Jay S; Baldridge, Kim K; Suzuki, Keisuke","Dodecamethoxy- and hexaoxotricyclobutabenzene: synthesis and characterization.","Journal of the American Chemical Society","2006","128","31","10032","10033","10.1021/ja064063e","","","0.71073","MoKα","","0.057","0.0472","","","0.117","0.1218","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101566","39.1329","0.0007","9.8179","0.0002","21.5984","0.0005","90","","102.711","0.001","90","","8094.8","0.3","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H53 N9 O4 -","- C40 H53 N9 O4 -","- C320 H424 N72 O32 -","8","1","","Nishiyabu, Ryuhei; Palacios, Manuel A; Dehaen, Wim; Anzenbacher, Jr, Pavel","Synthesis, structure, anion binding, and sensing by calix[4]pyrrole isomers.","Journal of the American Chemical Society","2006","128","35","11496","11504","10.1021/ja0622150","","","0.71073","MoKα","","0.2014","0.0546","","","0.0856","0.1069","","","","","","1.051","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101567","18.1048","0.0004","9.9834","0.0002","22.5666","0.0005","90","","104.564","0.002","90","","3947.79","0.15","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H51 N7 O4 S2 -","- C38 H51 N7 O4 S2 -","- C152 H204 N28 O16 S8 -","4","1","","Nishiyabu, Ryuhei; Palacios, Manuel A; Dehaen, Wim; Anzenbacher, Jr, Pavel","Synthesis, structure, anion binding, and sensing by calix[4]pyrrole isomers.","Journal of the American Chemical Society","2006","128","35","11496","11504","10.1021/ja0622150","","","0.71073","MoKα","","0.1643","0.054","","","0.0955","0.1215","","","","","","0.947","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101568","10.4478","0.0002","32.249","0.0006","10.6105","0.0002","90","","112.259","0.001","90","","3308.6","0.11","268","2","268","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 N4 O2 S2 -","- C32 H48 N4 O2 S2 -","- C128 H192 N16 O8 S8 -","4","2","","Nishiyabu, Ryuhei; Palacios, Manuel A; Dehaen, Wim; Anzenbacher, Jr, Pavel","Synthesis, structure, anion binding, and sensing by calix[4]pyrrole isomers.","Journal of the American Chemical Society","2006","128","35","11496","11504","10.1021/ja0622150","","","0.71073","MoKα","","0.1296","0.0709","","","0.1558","0.1843","","","","","","1","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101569","10.4865","0.0003","16.8082","0.0005","19.0923","0.0006","91.479","0.002","102.499","0.002","104.159","0.002","3174.58","0.16","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H80 N14 O -","- C70 H80 N14 O -","- C140 H160 N28 O2 -","2","1","","Nishiyabu, Ryuhei; Palacios, Manuel A; Dehaen, Wim; Anzenbacher, Jr, Pavel","Synthesis, structure, anion binding, and sensing by calix[4]pyrrole isomers.","Journal of the American Chemical Society","2006","128","35","11496","11504","10.1021/ja0622150","","","0.71073","MoKα","","0.2238","0.0717","","","0.1173","0.1555","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101570","25.352","0.001","10.221","0.0004","26.347","0.0013","90","","99.424","0.0018","90","","6735","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N6 O2 -","- C37 N7 O -","- C296 N56 O8 -","8","2","","Nishiyabu, Ryuhei; Palacios, Manuel A; Dehaen, Wim; Anzenbacher, Jr, Pavel","Synthesis, structure, anion binding, and sensing by calix[4]pyrrole isomers.","Journal of the American Chemical Society","2006","128","35","11496","11504","10.1021/ja0622150","","","0.7107","MoKα","","0.4852","0.2051","","","0.258","0.3176","","","","","","1.888","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101571","10.232","0.019","14.05","0.03","14.11","0.03","106.28","0.03","96.25","0.04","91.27","0.04","1932","6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 Cl O2 -","- C23 H17 Cl O2 -","- C92 H68 Cl4 O8 -","4","2","","Liu, Yuanhong; Song, Feijie; Guo, Shenghai","Cleavage of a carbon-carbon triple bond via gold-catalyzed cascade cyclization/oxidative cleavage reactions of (Z)-enynols with molecular oxygen.","Journal of the American Chemical Society","2006","128","35","11332","11333","10.1021/ja062610q","","","0.71073","MoKα","","0.1429","0.065","","","0.1587","0.1804","","","","","","0.764","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101572","11.087","0.004","14.064","0.005","9.473","0.004","90","","96.733","0.007","90","","1466.9","1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N O3 -","- C15 H27 N O3 -","- C60 H108 N4 O12 -","4","1","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.0614","0.0401","","","0.0937","0.1022","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101573","6.2685","0.0013","12.772","0.003","7.5043","0.0015","90","","111.517","0.004","90","","558.93","0.19","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H22 B N -","- C12 H22 B N -","- C24 H44 B2 N2 -","2","1","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.0846","0.0423","","","0.0494","0.0558","","","","","","0.976","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101574","16.734","0.011","8.442","0.006","21.245","0.014","90","","97.969","0.011","90","","2972","3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N O3 -","- C15 H27 N O3 -","- C120 H216 N8 O24 -","8","2","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.1108","0.0457","","","0.0824","0.0994","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101575","9.992","0.003","11.664","0.003","11.986","0.003","67.826","0.004","66.443","0.004","71.059","0.004","1160.7","0.5","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H25 Br2 N O3 -","- C25 H25 Br2 N O3 -","- C50 H50 Br4 N2 O6 -","2","2","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.0811","0.0572","","","0.1312","0.1428","","","","","","0.983","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101576","14.355","0.002","6.3934","0.0011","12.899","0.002","90","","114.826","0.003","90","","1074.5","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 B N O0.09 -","- C11 H20 B N O0.087 -","- C44 H80 B4 N4 O0.348 -","4","1","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.168","0.0395","","","0.0523","0.0689","","","","","","0.763","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101577","6.257","0.003","14.424","0.006","12.596","0.005","90","","91.932","0.008","90","","1136.2","0.9","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 B F3 N -","- C11 H17 B F3 N -","- C44 H68 B4 F12 N4 -","4","1","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.2269","0.0728","","","0.1795","0.2237","","","","","","0.907","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101578","4.8131","0.0006","6.4288","0.0008","7.0223","0.0009","83.369","0.002","71.623","0.002","73.364","0.002","197.5","0.04","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- B4 Cu Li6 O10 -","- B4 Cu Li6 O10 -","- B4 Cu Li6 O10 -","1","1","","Pan, Shilie; Smit, Jared P; Watkins, Byron; Marvel, Michael R; Stern, Charlotte L; Poeppelmeier, Kenneth R","Synthesis, crystal structure, and nonlinear optical properties of Li6CuB4O10: a congruently melting compound with isolated [CuB4O10]6- units.","Journal of the American Chemical Society","2006","128","35","11631","11634","10.1021/ja0633114","","","0.71073","MoKα","","0.0625","0.0546","","","0.1369","0.1471","","","","","","1.084","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101579","11.725","0.0003","13.025","0.0006","18.709","0.0008","75.877","0.002","87.714","0.003","68.845","0.002","2580.44","0.18","120","","120","","","","","","","","","4","P -1","-P 1","2","","(t-Bu2MeSi)2Sn-Sn(SiMet-Bu2)2C(Ph)=CH","","- C44 H90 Si4 Sn2 -","- C44 H90 Si4 Sn2 -","- C88 H180 Si8 Sn4 -","2","1","","Lee, Vladimir Ya; Fukawa, Tomohide; Nakamoto, Masaaki; Sekiguchi, Akira; Tumanskii, Boris L; Karni, Miriam; Apeloig, Yitzhak","(tBu2MeSi)2Sn=Sn(SiMetBu2)2: a distannene with a >Sn=Sn< double bond that is stable both in the solid state and in solution.","Journal of the American Chemical Society","2006","128","35","11643","11651","10.1021/ja063322x","","","0.7107","MoKα","","0.0422","0.0335","","","0.0881","0.0914","","","","","","1.034","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4101580","14.5782","0.0013","15.0328","0.0014","19.725","0.002","85.231","0.002","89.668","0.002","62.199","0.002","3807.9","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","(Tb~3~N@C~84~)(Ni(OEP) · 2 benzene","(μ ~3~-Nitrido)-η ^6^, η^4^,η^5^-C84 Fullerene)-triterbium (2,3,7,8,12,13,17,18-octaethylporphyrinato)nickel(II) benzene disolvate","","- C132 H56 N5 Ni Tb3 -","- C132 H56 N5 Ni Tb3 -","- C264 H112 N10 Ni2 Tb6 -","2","1","","Beavers, Christine M; Zuo, Tianming; Duchamp, James C; Harich, Kim; Dorn, Harry C; Olmstead, Marilyn M; Balch, Alan L","Tb3N@C84: an improbable, egg-shaped endohedral fullerene that violates the isolated pentagon rule.","Journal of the American Chemical Society","2006","128","35","11352","11353","10.1021/ja063636k","","","0.71073","MoKα","","0.0912","0.047","","","0.0925","0.0976","","","","","","0.814","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101581","11.605","0.003","24.573","0.005","12.733","0.003","90","","114.407","0.004","90","","3306.5","1.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{[4-Me3Si-2,6-(2,6-iPr2-C6H3)2-C6H2]Sn}2","","- C70 H100 O Si2 Sn2 -","- C70 H100 O Si2 Sn2 -","- C140 H200 O2 Si4 Sn4 -","2","0.5","","Fischer, Roland C; Pu, Lihung; Fettinger, James C; Brynda, Marcin A; Power, Philip P","Very large changes in bond length and bond angle in a heavy group 14 element alkyne analogue by modification of a remote ligand substituent.","Journal of the American Chemical Society","2006","128","35","11366","11367","10.1021/ja0637090","","","0.71073","MoKα","","0.1111","0.0557","","","0.1099","0.1246","","","","","","1.002","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101582","16.7809","0.0008","20.8853","0.001","8.7101","0.0004","90","","95.594","0.003","90","","3038.1","0.2","118.1","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C52 H34 F24 N4 O16 Ru4 -","- C52 H52 F24 N4 O16 Ru4 -","- C104 H104 F48 N8 O32 Ru8 -","2","0.25","","Miyasaka, Hitoshi; Izawa, Toru; Takahashi, Nao; Yamashita, Masahiro; Dunbar, Kim R","Long-range ordered magnet of a charge-transfer Ru2(4+)/TCNQ two-dimensional network compound.","Journal of the American Chemical Society","2006","128","35","11358","11359","10.1021/ja063963s","","","0.7107","MoKα","","","0.0452","","","","0.1523","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101583","17.542","0.014","20.644","0.016","8.788","0.007","90","","96.627","0.013","90","","3161","4","117.1","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C52 H30 F28 N4 O16 Ru4 -","- C49.92 H45 F28 N4 O16 Ru4 -","- C99.84 H90 F56 N8 O32 Ru8 -","2","0.25","","Miyasaka, Hitoshi; Izawa, Toru; Takahashi, Nao; Yamashita, Masahiro; Dunbar, Kim R","Long-range ordered magnet of a charge-transfer Ru2(4+)/TCNQ two-dimensional network compound.","Journal of the American Chemical Society","2006","128","35","11358","11359","10.1021/ja063963s","","","0.7107","MoKα","","","0.0678","","","","0.1277","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101584","8.37","0.0003","21.881","0.001","10.1712","0.0006","90","","103.659","0.003","90","","1810.1","0.2","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O2 S2 -","- C19 H24 O2 S2 -","- C76 H96 O8 S8 -","4","1","","Kuninobu, Yoichiro; Kawata, Atsushi; Takai, Kazuhiko","Efficient catalytic insertion of acetylenes into a carbon-carbon single bond of nonstrained cyclic compounds under mild conditions.","Journal of the American Chemical Society","2006","128","35","11368","11369","10.1021/ja064022i","","","0.7107","MoKα","","","0.0743","","","","0.244","","","","","","2.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101585","9.8591","0.0014","10.3245","0.0015","11.3684","0.0017","102.549","0.002","102.129","0.002","117.555","0.002","934.7","0.2","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 O4 -","- C23 H20 O4 -","- C46 H40 O8 -","2","1","","Lian, Jian-Jou; Chen, Po-Chiang; Lin, Yau-Ping; Ting, Hao-Chun; Liu, Rai-Shung","Gold-catalyzed intramolecular [3 + 2]-cycloaddition of arenyne-yne functionalities.","Journal of the American Chemical Society","2006","128","35","11372","11373","10.1021/ja0643826","","","0.71073","MoKα","","0.0596","0.0501","","","0.1488","0.1553","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101586","11.3334","0.0002","14.8825","0.0003","15.6938","0.0004","90","","90","","90","","2647.06","0.1","298","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","GRF002","GRF002","","- C24 H44 O P2 Pd -","- C24 H44 O P2 Pd -","- C96 H176 O4 P8 Pd4 -","4","1","","Fulmer, Gregory R.; Muller, Richard P.; Kemp, Richard A.; Goldberg, Karen I.","Hydrogenolysis of Palladium(II) Hydroxide and Methoxide Pincer Complexes","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1346","","10.1021/ja807936q","","","0.71073","MoKα","","0.0805","0.0391","","","0.0889","0.1082","","","","","","1.036","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101587","11.0895","0.0003","15.69","0.0005","30.3155","0.001","90","","90","","90","","5274.7","0.3","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","GRF003","GRF003","","- C24 H48 O3 P2 Pd -","- C24 H48 O3 P2 Pd -","- C192 H384 O24 P16 Pd8 -","8","1","","Fulmer, Gregory R.; Muller, Richard P.; Kemp, Richard A.; Goldberg, Karen I.","Hydrogenolysis of Palladium(II) Hydroxide and Methoxide Pincer Complexes","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1346","","10.1021/ja807936q","","","0.71073","MoKα","","0.123","0.0537","","","0.1305","0.1602","","","","","","0.967","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101588","9.9429","0.0001","14.7868","0.0002","18.02","0.0003","90","","90","","90","","2649.43","0.06","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","GRF001","GRF001","","- C25 H46 O P2 Pd -","- C25 H46 O P2 Pd -","- C100 H184 O4 P8 Pd4 -","4","1","","Fulmer, Gregory R.; Muller, Richard P.; Kemp, Richard A.; Goldberg, Karen I.","Hydrogenolysis of Palladium(II) Hydroxide and Methoxide Pincer Complexes","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1346","","10.1021/ja807936q","","","0.71073","MoKα","","0.0582","0.0441","","","0.1076","0.1163","","","","","","0.996","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101589","7.2459","0.0004","8.6833","0.0004","11.2308","0.0005","90","","104.73","0.003","90","","683.4","0.06","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 Br O4 -","- C14 H19 Br O4 -","- C28 H38 Br2 O8 -","2","1","","Gao, Shuanhu; Wang, Oiaoling; Chen, Chuo","Synthesis and Structure Revision of Nakiterpiosin","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1410","","10.1021/ja808110d","","","0.7107","MoKα","","0.0388","0.0286","","","0.0577","0.0616","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101590","7.136","0.0002","14.06","0.0004","16.616","0.0005","90","","90","","90","","1667.12","0.08","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Br Cl2 O3 -","- C15 H17 Br Cl2 O3 -","- C60 H68 Br4 Cl8 O12 -","4","1","","Gao, Shuanhu; Wang, Oiaoling; Chen, Chuo","Synthesis and Structure Revision of Nakiterpiosin","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1410","","10.1021/ja808110d","","","0.7107","MoKα","","0.0902","0.044","","","0.0725","0.0846","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101591","10.077","0.003","5.4733","0.0014","9.316","0.002","90","","98.07","0.02","90","","508.7","0.2","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Na6 Sn2 Zn -","- Na6 Sn2 Zn -","- Na12 Sn4 Zn2 -","2","0.25","","Kim, Sung-Jin; Kraus, Florian; Faessler, Thomas F.","Na6ZnSn2, Na4.24K1.76(1)ZnSn2, and Na20Zn8Sn11: Three Intermetallic Structures Containing the Linear {Sn-Zn-Sn}(6-) Unit","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1469","1478","10.1021/ja806737k","","","0.71073","MoKα","","0.032","0.0221","","","0.0437","0.0448","","","","","","0.928","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101592","11.5716","0.0005","9.8617","0.0002","11.382","0.0004","90","","119.334","0.005","90","","1132.32","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K1.76 Na4.24 Sn2 Zn -","- K1.766 Na4.234 Sn2 Zn -","- K7.064 Na16.936 Sn8 Zn4 -","4","1","","Kim, Sung-Jin; Kraus, Florian; Faessler, Thomas F.","Na6ZnSn2, Na4.24K1.76(1)ZnSn2, and Na20Zn8Sn11: Three Intermetallic Structures Containing the Linear {Sn-Zn-Sn}(6-) Unit","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1469","1478","10.1021/ja806737k","","","0.71073","MoKα","","0.0452","0.0288","","","0.0615","0.0668","","","","","","0.986","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101593","16.1505","0.0014","9.2762","0.0006","27.594","0.002","90","","102.969","0.007","90","","4028.6","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Na20 Sn11 Zn8 -","- Na20 Sn11 Zn8 -","- Na80 Sn44 Zn32 -","4","0.5","","Kim, Sung-Jin; Kraus, Florian; Faessler, Thomas F.","Na6ZnSn2, Na4.24K1.76(1)ZnSn2, and Na20Zn8Sn11: Three Intermetallic Structures Containing the Linear {Sn-Zn-Sn}(6-) Unit","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1469","1478","10.1021/ja806737k","","","0.71073","MoKα","","0.0406","0.0352","","","0.0777","0.0865","","","","","","1.222","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101594","14.601","0.005","9.537","0.004","14.72","0.005","90","","117.062","0.006","90","","1825.5","1.1","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","","Koyama, Ichiro; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-Catalyzed {[}4+2] Cycloaddition of Enones with Alkynes","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1350","","10.1021/ja807952r","","","0.71073","MoKα","","0.0823","0.0575","","","0.1446","0.1589","","","","","","1.03","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101595","14.527","0.008","9.394","0.005","15.537","0.008","90","","114.869","0.008","90","","1923.6","1.7","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O3 -","- C24 H24 O3 -","- C96 H96 O12 -","4","1","","Koyama, Ichiro; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-Catalyzed {[}4+2] Cycloaddition of Enones with Alkynes","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1350","","10.1021/ja807952r","","","0.71073","MoKα","","0.0552","0.048","","","0.1372","0.1437","","","","","","1.044","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101596","10.5195","0.0018","10.9929","0.0017","11.5575","0.0015","66.224","0.008","67.551","0.008","76.882","0.009","1126.2","0.3","153.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22.5 H30 N2 Ni O3 -","- C22.5 H30 N2 Ni O3 -","- C45 H60 N4 Ni2 O6 -","2","1","","Koyama, Ichiro; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-Catalyzed {[}4+2] Cycloaddition of Enones with Alkynes","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1350","","10.1021/ja807952r","","","0.7107","MoKα","","","0.0528","","","","0.1608","","","","","","1.147","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101597","9.4768","0.0019","10.58","0.002","31.161","0.006","90","","94.53","0.03","90","","3114.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C144 H112 Cl8 N8 O24 -","8","2","","Liang, Yong; Jiao, Lei; Zhang, Shiwei; Yu, Zhi-Xiang; Xu, Jiaxi","New Insights into the Torquoselectivity of the Staudinger Reaction","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1542","1549","10.1021/ja808046e","","","0.71073","MoKα","","0.1299","0.0569","","","0.1172","0.1313","","","","","","1.01","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101598","16.082","0.003","12.461","0.003","7.8035","0.0016","90","","102.1","0.03","90","","1529","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C72 H56 Cl4 N4 O12 -","4","1","","Liang, Yong; Jiao, Lei; Zhang, Shiwei; Yu, Zhi-Xiang; Xu, Jiaxi","New Insights into the Torquoselectivity of the Staudinger Reaction","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1542","1549","10.1021/ja808046e","","","0.71073","MoKα","","0.0994","0.0434","","","0.0837","0.0901","","","","","","1.012","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101599","11.8743","0.0005","11.8743","0.0005","33.2046","0.0009","90","","90","","90","","4681.8","0.3","150","1","150","1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C46 H44 B2 F8 Fe N4 P2 -","- C46 H44 B2 F8 Fe N4 P2 -","- C184 H176 B8 F32 Fe4 N16 P8 -","4","0.5","","Mikhailine, Alexandre; Lough, Alan J.; Morris, Robert H.","Efficient Asymmetric Transfer Hydrogenation of Ketones Catalyzed by an Iron Complex Containing a P-N-N-P Tetradentate Ligand Formed by Template Synthesis","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1394","","10.1021/ja809493h","","","0.71073","MoKα","","0.1301","0.0667","","","0.1381","0.1597","","","","","","0.931","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101600","21.049","0.005","14.373","0.005","22.479","0.005","90","","90","","90","","6801","3","93","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H38 Mo O2 Rh2 S4 -","- C34 H38 Mo O2 Rh2 S4 -","- C272 H304 Mo8 O16 Rh16 S32 -","8","1","","Muratsugu, Satoshi; Sodeyama, Keitaro; Kitamura, Fusao; Sugimoto, Manabu; Tsuneyuki, Shinji; Miyashita, Seiji; Kato, Tatsuhisa; Nishihara, Hiroshi","Two-Electron Reduction of a Rh-Mo-Rh Dithiolato Complex To Form a Triplet Ground State Associated with a Change in CO Coordination Mode","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1388","","10.1021/ja8090577","","","0.71069","MoKα","","","0.0354","","","","0.071","","","","","","1.184","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101601","22.7489","0.0017","6.5732","0.0005","7.9998","0.0006","90","","99.563","0.001","90","","1179.61","0.15","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1H-benzo[d]imidazol-2-yl)-4-iodoaniline","","- C13 H10 I N3 -","- C13 H10 I N3 -","- C52 H40 I4 N12 -","4","1","","Rodriguez-Rodriguez, Cristina; Sanchez de Groot, Natalia; Rimola, Albert; Alvarez-Larena, Angel; Lloveras, Vega; Vidal-Gancedo, Jose; Ventura, Salvador; Vendrell, Josep; Sodupe, Mariona; Gonzalez-Duarte, Pilar","Design, Selection, and Characterization of Thioflavin-Based Intercalation Compounds with Metal Chelating Properties for Application in Alzheimer's Disease","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1436","1451","10.1021/ja806062g","","","0.71073","MoKα","","0.0526","0.0361","","","0.0839","0.1062","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101602","14.7636","0.0015","4.7515","0.0005","18.0167","0.0017","90","","106.323","0.002","90","","1212.9","0.2","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(benzo[d]thiazol-2-yl)-4-iodophenol","","- C13 H8 I N O S -","- C13 H8 I N O S -","- C52 H32 I4 N4 O4 S4 -","4","1","","Rodriguez-Rodriguez, Cristina; Sanchez de Groot, Natalia; Rimola, Albert; Alvarez-Larena, Angel; Lloveras, Vega; Vidal-Gancedo, Jose; Ventura, Salvador; Vendrell, Josep; Sodupe, Mariona; Gonzalez-Duarte, Pilar","Design, Selection, and Characterization of Thioflavin-Based Intercalation Compounds with Metal Chelating Properties for Application in Alzheimer's Disease","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1436","1451","10.1021/ja806062g","","","0.71073","MoKα","","0.071","0.0422","","","0.0924","0.1026","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101603","5.8887","0.0004","14.6161","0.0011","27.273","0.002","90","","90","","90","","2347.4","0.3","294","2","294","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","2-(benzo[d]oxazol-2-yl)-4-iodophenol","","- C13 H8 I N O2 -","- C13 H8 I N O2 -","- C104 H64 I8 N8 O16 -","8","2","","Rodriguez-Rodriguez, Cristina; Sanchez de Groot, Natalia; Rimola, Albert; Alvarez-Larena, Angel; Lloveras, Vega; Vidal-Gancedo, Jose; Ventura, Salvador; Vendrell, Josep; Sodupe, Mariona; Gonzalez-Duarte, Pilar","Design, Selection, and Characterization of Thioflavin-Based Intercalation Compounds with Metal Chelating Properties for Application in Alzheimer's Disease","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1436","1451","10.1021/ja806062g","","","0.71073","MoKα","","0.0977","0.0478","","","0.0802","0.0942","","","","","","0.961","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101604","10.017","0.002","12.087","0.002","12.384","0.003","90","","109.61","0.03","90","","1412.4","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 S3 -","- C20 H8 S3 -","- C80 H32 S12 -","4","1","","Jiang, Wei; Zhou, Yan; Geng, Hua; Jiang, Shidong; Yan, Shouke; Hu, Wenping; Wang, Zhaohui; Shuai, Zhigang; Pei, Jian","Solution-Processed, High-Performance Nanoribbon Transistors Based on Dithioperylene","Journal of the American Chemical Society","2011","133","1","1","3","10.1021/ja107599r","","","0.71073","MoKα","","0.088","0.0772","","","0.1892","0.1976","","","","","","1.123","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101605","9.6585","0.0019","4.3731","0.0009","15.436","0.003","90","","98.37","0.03","90","","645","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 S2 -","- C20 H8 S2 -","- C40 H16 S4 -","2","0.5","","Jiang, Wei; Zhou, Yan; Geng, Hua; Jiang, Shidong; Yan, Shouke; Hu, Wenping; Wang, Zhaohui; Shuai, Zhigang; Pei, Jian","Solution-Processed, High-Performance Nanoribbon Transistors Based on Dithioperylene","Journal of the American Chemical Society","2011","133","1","1","3","10.1021/ja107599r","","","0.71073","MoKα","","0.064","0.0564","","","0.146","0.1523","","","","","","1.126","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101606","10.9098","0.0004","11.9108","0.0005","11.298","0.0004","90","","113.769","0.002","90","","1343.58","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H34 O8 -","- C30 H34 O8 -","- C60 H68 O16 -","2","1","","Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.","Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.","Journal of the American Chemical Society","2011","133","1","18","20","10.1021/ja108717r","","","1.54178","CuKα","","0.0413","0.0353","","","0.0999","0.1212","","","","","","1.153","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101607","7.588","0.0001","5.816","0.0001","8.8911","0.0002","90","","101.966","0.001","90","","383.854","0.012","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H7 I O2 -","- C7 H7 I O2 -","- C14 H14 I2 O4 -","2","1","","Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.","Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.","Journal of the American Chemical Society","2011","133","1","18","20","10.1021/ja108717r","","","0.71073","MoKα","","0.0188","0.0187","","","0.0483","0.0483","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101608","8.0008","0.0002","19.2436","0.0004","36.6855","0.0008","90","","90","","90","","5648.3","0.2","84","2","84","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O8 -","- C32 H34 O8 -","- C256 H272 O64 -","8","2","","Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.","Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.","Journal of the American Chemical Society","2011","133","1","18","20","10.1021/ja108717r","","","1.54178","CuKα","","0.1094","0.0971","","","0.2532","0.2642","","","","","","1.073","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101609","8.1103","0.0003","12.5967","0.0005","16.9792","0.0006","90","","90","","90","","1734.65","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl2 O4 -","- C17 H20 Cl2 O4 -","- C68 H80 Cl8 O16 -","4","1","","Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.","Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.","Journal of the American Chemical Society","2011","133","1","18","20","10.1021/ja108717r","","","1.54178","CuKα","","0.0601","0.0492","","","0.1242","0.1298","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101610","8.96","0.003","9.118","0.002","11.358","0.004","78.117","0.012","85.055","0.013","62.857","0.009","808","0.4","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O -","- C22 H20 O -","- C44 H40 O2 -","2","1","","Kondo, Masataka; Kochi, Takuya; Kakiuchi, Fumitoshi","Rhodium-catalyzed anti-Markovnikov intermolecular hydroalkoxylation of terminal acetylenes.","Journal of the American Chemical Society","2011","133","1","32","34","10.1021/ja1097385","","","0.7107","MoKα","","0.0408","0.035","","","0.0954","0.098","","","","","","1.103","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4101611","23.73","0.007","51.137","0.015","23.859","0.008","90","","90.629","0.008","90","","28951","15","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C338 H258 N8 Ni2 O16 -","- C338 H258 N8 Ni2 O16 -","- C1352 H1032 N32 Ni8 O64 -","4","1","","Davis, Nicola K. S.; Thompson, Amber L.; Anderson, Harry L.","A porphyrin fused to four anthracenes.","Journal of the American Chemical Society","2011","133","1","30","31","10.1021/ja109671f","","","0.6889","Synchrotron","","0.1292","0.0966","","0.2979","0.255","0.2978","","","","","","1.0382","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101612","13.2896","0.0014","5.7582","0.0006","15.3496","0.0016","90","","106.088","0.001","90","","1128.6","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 O S2 -","- C12 H12 O S2 -","- C48 H48 O4 S8 -","4","2","","Fujisaki, Junichi; Matsumoto, Kenji; Matsumoto, Kazuhiro; Katsuki, Tsutomu","Catalytic asymmetric oxidation of cyclic dithioacetals: highly diastereo- and enantioselective synthesis of the S-oxides by a chiral aluminum(salalen) complex","Journal of the American Chemical Society","2011","133","1","56","61","10.1021/ja106877x","","","0.71073","MoKα","","0.0186","0.0184","","","0.0499","0.0501","","","","","","1.061","","","","has coordinates","210877","2020-10-21","18:00:00",""
"4101613","9.0294","0.0005","9.6581","0.0005","19.4301","0.001","79.283","0.001","79.355","0.001","79.77","0.001","1618.13","0.15","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 I N O -","- C16 H20 I N O -","- C64 H80 I4 N4 O4 -","4","2","","Guthrie, David B.; Geib, Steven J.; Curran, Dennis P.","Radical and Heck cyclizations of diastereomeric o-haloanilide atropisomers.","Journal of the American Chemical Society","2011","133","1","115","122","10.1021/ja108795x","","","0.71073","MoKα","","0.0627","0.049","","","0.141","0.1482","","","","","","1.184","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101614","9.3192","0.0003","9.4812","0.0003","19.0469","0.0007","98.053","0.001","96.624","0.001","101.069","0.001","1617.72","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 I N O -","- C16 H20 I N O -","- C64 H80 I4 N4 O4 -","4","2","","Guthrie, David B.; Geib, Steven J.; Curran, Dennis P.","Radical and Heck cyclizations of diastereomeric o-haloanilide atropisomers.","Journal of the American Chemical Society","2011","133","1","115","122","10.1021/ja108795x","","","0.71073","MoKα","","0.0536","0.039","","","0.1177","0.1298","","","","","","1.039","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101615","9.7112","0.0015","11.6237","0.0017","14.127","0.002","90","","94.332","0.003","90","","1590.1","0.4","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 I N O3 -","- C16 H18 I N O3 -","- C64 H72 I4 N4 O12 -","4","1","","Guthrie, David B.; Geib, Steven J.; Curran, Dennis P.","Radical and Heck cyclizations of diastereomeric o-haloanilide atropisomers.","Journal of the American Chemical Society","2011","133","1","115","122","10.1021/ja108795x","","","0.71073","MoKα","","0.0433","0.0362","","","0.1071","0.1128","","","","","","0.996","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101616","11.4534","0.0007","16.2945","0.001","22.1655","0.0013","90","","90.677","0.001","90","","4136.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29.66 H10 B Cl4 N10.33 Re -","- C29.66 H10 B Cl4 Cu N10.33 Re -","- C118.64 H40 B4 Cl16 Cu4 N41.32 Re4 -","4","1","","Harris, T. David; Coulon, Claude; Clérac, Rodolphe; Long, Jeffrey R.","Record ferromagnetic exchange through cyanide and elucidation of the magnetic phase diagram for a Cu(II)Re(IV)(CN)2 chain compound.","Journal of the American Chemical Society","2011","133","1","123","130","10.1021/ja108575t","","","0.7749","synchrotron","","0.0717","0.0684","","","0.1882","0.1889","","","","","","2.824","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101617","14.185","0.003","22.009","0.004","12.008","0.002","90","","110.853","0.003","90","","3503.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H10 Cl3 Co F15 N4 -","- C38 H10 Cl3 Co F15 N4 -","- C152 H40 Cl12 Co4 F60 N16 -","4","1","","Dogutan, Dilek K.; Stoian, Sebastian A.; McGuire, Jr, Robert; Schwalbe, Matthias; Teets, Thomas S.; Nocera, Daniel G.","Hangman corroles: efficient synthesis and oxygen reaction chemistry.","Journal of the American Chemical Society","2011","133","1","131","140","10.1021/ja108904s","","","0.71073","MoKα","","0.0812","0.0589","","","0.149","0.1704","","","","","","1.052","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101618","12.5672","0.0004","14.0364","0.0005","18.2951","0.0006","68.058","0.002","87.816","0.002","73.334","0.002","2859.03","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H81 N4 O3 -","- C70 H81 N4 O3 -","- C140 H162 N8 O6 -","2","1","","Dogutan, Dilek K.; Stoian, Sebastian A.; McGuire, Jr, Robert; Schwalbe, Matthias; Teets, Thomas S.; Nocera, Daniel G.","Hangman corroles: efficient synthesis and oxygen reaction chemistry.","Journal of the American Chemical Society","2011","133","1","131","140","10.1021/ja108904s","","","1.54178","CuKα","","0.0818","0.0694","","","0.1956","0.2093","","","","","","1.032","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101619","8.517","0.0003","17.212","0.0005","19.8004","0.0006","111.439","0.002","96.92","0.002","102.502","0.002","2573.31","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H54 F10 N4 O3 -","- C61 H54 F10 N4 O3 -","- C122 H108 F20 N8 O6 -","2","1","","Dogutan, Dilek K.; Stoian, Sebastian A.; McGuire, Jr, Robert; Schwalbe, Matthias; Teets, Thomas S.; Nocera, Daniel G.","Hangman corroles: efficient synthesis and oxygen reaction chemistry.","Journal of the American Chemical Society","2011","133","1","131","140","10.1021/ja108904s","","","1.54178","CuKα","","0.0544","0.0488","","","0.1394","0.1465","","","","","","1.058","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101620","15.3624","0.0007","16.4958","0.0007","18.56","0.0008","90","","90","","90","","4703.4","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H76 B N6 O Si2 Y -","- C39 H76 B N6 O Si2 Y -","- C156 H304 B4 N24 O4 Si8 Y4 -","4","1","","Cheng, Jianhua; Ferguson, Michael J.; Takats, Josef","Synthesis and reaction of [(Tp(iPr2))LnH2]3 (Ln = Y, Lu) with CO: trinuclear cluster-bound propenolate en route to selective formation of propene.","Journal of the American Chemical Society","2010","132","1","2","3","10.1021/ja905679k","","","0.71073","MoKα","","0.0484","0.0328","","","0.0629","0.0674","","","","","","0.974","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101621","15.331","0.0013","16.5053","0.0014","18.4712","0.0016","90","","90","","90","","4674","0.7","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H76 B Lu N6 O Si2 -","- C39 H76 B Lu N6 O Si2 -","- C156 H304 B4 Lu4 N24 O4 Si8 -","4","1","","Cheng, Jianhua; Ferguson, Michael J.; Takats, Josef","Synthesis and reaction of [(Tp(iPr2))LnH2]3 (Ln = Y, Lu) with CO: trinuclear cluster-bound propenolate en route to selective formation of propene.","Journal of the American Chemical Society","2010","132","1","2","3","10.1021/ja905679k","","","0.71073","MoKα","","0.0164","0.0155","","","0.0386","0.0389","","","","","","1.035","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101622","17.824","0.0011","18.0259","0.0011","31.3594","0.0019","90","","90","","90","","10075.6","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C87 H158 B3 N18 Y3 -","- C81 H144 B3 N18 Y3 -","- C324 H576 B12 N72 Y12 -","4","1","","Cheng, Jianhua; Ferguson, Michael J.; Takats, Josef","Synthesis and reaction of [(Tp(iPr2))LnH2]3 (Ln = Y, Lu) with CO: trinuclear cluster-bound propenolate en route to selective formation of propene.","Journal of the American Chemical Society","2010","132","1","2","3","10.1021/ja905679k","","","0.71073","MoKα","","0.0413","0.0317","","","0.0698","0.0721","","","","","","0.984","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101623","17.8179","0.0009","17.9008","0.0009","31.1982","0.0015","90","","90","","90","","9950.8","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C87 H158 B3 Lu3 N18 -","- C81 H144 B3 Lu3 N18 -","- C324 H576 B12 Lu12 N72 -","4","1","","Cheng, Jianhua; Ferguson, Michael J.; Takats, Josef","Synthesis and reaction of [(Tp(iPr2))LnH2]3 (Ln = Y, Lu) with CO: trinuclear cluster-bound propenolate en route to selective formation of propene.","Journal of the American Chemical Society","2010","132","1","2","3","10.1021/ja905679k","","","0.71073","MoKα","","0.0204","0.0186","","","0.0432","0.0438","","","","","","1.037","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101624","17.0572","0.0008","19.6657","0.0009","20.5279","0.0009","97.1478","0.0006","106.822","0.0006","109.729","0.0006","6012.9","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H180 B3 N18 O5 Si4 Y3 -","- C96 H180 B3 N18 O5 Si4 Y3 -","- C192 H360 B6 N36 O10 Si8 Y6 -","2","1","","Cheng, Jianhua; Ferguson, Michael J.; Takats, Josef","Synthesis and reaction of [(Tp(iPr2))LnH2]3 (Ln = Y, Lu) with CO: trinuclear cluster-bound propenolate en route to selective formation of propene.","Journal of the American Chemical Society","2010","132","1","2","3","10.1021/ja905679k","","","0.71073","MoKα","","0.0721","0.0469","","","0.1214","0.1365","","","","","","1.029","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101625","8.6884","0.0002","12.1203","0.0003","11.8457","0.0002","90","","114.301","0.001","90","","1136.9","0.04","173","2","173","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Penkett, Clive S.; Woolford, Jason A.; Day, Iain J.; Coles, Martyn P.","The double [3 + 2] photocycloaddition reaction.","Journal of the American Chemical Society","2010","132","1","4","5","10.1021/ja906163s","","x-ray","0.71073","MoKα","","0.0421","0.0388","","","0.0997","0.1022","","","","","","1.05","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101626","11.6012","0.0003","11.6012","0.0003","11.6012","0.0003","90","","90","","90","","1561.38","0.07","105","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","tetramethylammonium copper(I) zinc cyanide","tetramethylammonium copper(I) zinc cyanide","","- C8 H12 Cu N5 Zn -","- C8 H11.9997 Cu N5 Zn -","- C32 H47.9988 Cu4 N20 Zn4 -","4","0.333333","","Phillips, Anthony E.; Halder, Gregory J.; Chapman, Karena W.; Goodwin, Andrew L.; Kepert, Cameron J.","Zero thermal expansion in a flexible, stable framework: tetramethylammonium copper(I) zinc(II) cyanide.","Journal of the American Chemical Society","2010","132","1","10","11","10.1021/ja906895j","","","0.71073","MoKα","","0.0235","0.0222","","","0.0525","0.0533","","","","","","1.235","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101627","11.6247","0.0007","11.6247","0.0007","11.6247","0.0007","90","","90","","90","","1570.89","0.16","150","2","150","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","tetramethylammonium copper(I) zinc cyanide","tetramethylammonium copper(I) zinc cyanide","","- C8 H12 Cu N5 Zn -","- C8 H23.9976 Cu N5 Zn -","- C32 H95.9904 Cu4 N20 Zn4 -","4","0.0416667","","Phillips, Anthony E.; Halder, Gregory J.; Chapman, Karena W.; Goodwin, Andrew L.; Kepert, Cameron J.","Zero thermal expansion in a flexible, stable framework: tetramethylammonium copper(I) zinc(II) cyanide.","Journal of the American Chemical Society","2010","132","1","10","11","10.1021/ja906895j","","","0.71073","MoKα","","0.0246","0.019","","","0.0479","0.0532","","","","","","1.097","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101628","11.6269","0.0009","11.6269","0.0009","11.6269","0.0009","90","","90","","90","","1571.8","0.2","231","2","225","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","tetramethylammonium copper(I) zinc cyanide","tetramethylammonium copper(I) zinc cyanide","","- C8 H12 Cu N5 Zn -","- C8 H23.9976 Cu N5 Zn -","- C32 H95.9904 Cu4 N20 Zn4 -","4","0.0416667","","Phillips, Anthony E.; Halder, Gregory J.; Chapman, Karena W.; Goodwin, Andrew L.; Kepert, Cameron J.","Zero thermal expansion in a flexible, stable framework: tetramethylammonium copper(I) zinc(II) cyanide.","Journal of the American Chemical Society","2010","132","1","10","11","10.1021/ja906895j","","","0.71073","MoKα","","0.0221","0.0164","","","0.0429","0.049","","","","","","1.168","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101629","11.6282","0.0008","11.6282","0.0008","11.6282","0.0008","90","","90","","90","","1572.31","0.19","300","2","300","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","tetramethylammonium copper(I) zinc cyanide","tetramethylammonium copper(I) zinc cyanide","","- C8 H12 Cu N5 Zn -","- C8 H23.9976 Cu N5 Zn -","- C32 H95.9904 Cu4 N20 Zn4 -","4","0.0416667","","Phillips, Anthony E.; Halder, Gregory J.; Chapman, Karena W.; Goodwin, Andrew L.; Kepert, Cameron J.","Zero thermal expansion in a flexible, stable framework: tetramethylammonium copper(I) zinc(II) cyanide.","Journal of the American Chemical Society","2010","132","1","10","11","10.1021/ja906895j","","","0.71073","MoKα","","0.0246","0.0184","","","0.0453","0.0502","","","","","","1.061","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101630","11.6312","0.0006","11.6312","0.0006","11.6312","0.0006","90","","90","","90","","1573.52","0.14","375","2","375","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","tetramethylammonium copper(I) zinc cyanide","tetramethylammonium copper(I) zinc cyanide","","- C8 H12 Cu N5 Zn -","- C8 H23.9976 Cu N5 Zn -","- C32 H95.9904 Cu4 N20 Zn4 -","4","0.0416667","","Phillips, Anthony E.; Halder, Gregory J.; Chapman, Karena W.; Goodwin, Andrew L.; Kepert, Cameron J.","Zero thermal expansion in a flexible, stable framework: tetramethylammonium copper(I) zinc(II) cyanide.","Journal of the American Chemical Society","2010","132","1","10","11","10.1021/ja906895j","","","0.71073","MoKα","","0.0283","0.0208","","","0.0509","0.0561","","","","","","1.088","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101631","18.286","0.003","18.286","0.003","49.079","0.01","90","","90","","120","","14212","4","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C62 H135 Fe0.5 Mo9 N5.5 O30 -","- C62 H135 Fe0.5 Mo9 N5.5 O30 -","- C372 H810 Fe3 Mo54 N33 O180 -","6","1","","Zhang, Jin; Hao, Jian; Wei, Yongge; Xiao, Fengping; Yin, Panchao; Wang, Longsheng","Nanoscale chiral rod-like molecular triads assembled from achiral polyoxometalates.","Journal of the American Chemical Society","2010","132","1","14","15","10.1021/ja907535g","","","0.71073","MoKα","","0.0761","0.0644","","","0.1602","0.1689","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101632","18.174","0.003","18.174","0.003","49.125","0.01","90","","90","","120","","14052","4","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C62 H135 Mn0.5 Mo9 N5.5 O30 -","- C62 H135 Mn0.5 Mo9 N5.5 O30 -","- C372 H810 Mn3 Mo54 N33 O180 -","6","1","","Zhang, Jin; Hao, Jian; Wei, Yongge; Xiao, Fengping; Yin, Panchao; Wang, Longsheng","Nanoscale chiral rod-like molecular triads assembled from achiral polyoxometalates.","Journal of the American Chemical Society","2010","132","1","14","15","10.1021/ja907535g","","","0.71073","MoKα","","0.0845","0.0568","","","0.1275","0.1434","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101633","20.1518","0.0009","20.1518","0.0009","7.9277","0.0009","90","","90","","120","","2788.1","0.4","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C36 H30 I9 N9 O6 Pb3 -","- C36 H30 I9 N9 O6 Pb3 -","- C72 H60 I18 N18 O12 Pb6 -","2","0.333333","","Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin","Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.","Journal of the American Chemical Society","2010","132","1","18","19","10.1021/ja907562m","","","0.71073","MoKα","","0.0389","0.025","","","0.0425","0.0455","","","","","","1.007","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101634","20.028","0.0012","20.028","0.0012","8.0181","0.0009","90","","90","","120","","2785.3","0.4","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C36 H30 Br3 I9 N6 Pb3 -","- C36 H30 Br3 I9 N6 Pb3 -","- C72 H60 Br6 I18 N12 Pb6 -","2","0.333333","","Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin","Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.","Journal of the American Chemical Society","2010","132","1","18","19","10.1021/ja907562m","","","0.71073","MoKα","","0.0997","0.075","","","0.1893","0.1987","","","","","","1.037","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101635","20.025","0.003","20.025","0.003","7.975","0.0016","90","","90","","120","","2769.5","0.8","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C12 H10 Cl I3 N2 Pb -","- C12 H10 Cl I3 N2 Pb -","- C72 H60 Cl6 I18 N12 Pb6 -","6","1","","Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin","Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.","Journal of the American Chemical Society","2010","132","1","18","19","10.1021/ja907562m","","","0.71073","MoKα","","0.0974","0.0548","","","0.1128","0.1336","","","","","","1.072","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101636","19.9426","0.0006","19.9426","0.0006","7.8618","0.0003","90","","90","","120","","2707.8","0.15","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C36 H30 F3 I9 N6 Pb3 -","- C36 H30 F3 I9 N6 Pb3 -","- C72 H60 F6 I18 N12 Pb6 -","2","0.333333","","Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin","Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.","Journal of the American Chemical Society","2010","132","1","18","19","10.1021/ja907562m","","","0.71073","MoKα","","0.0532","0.0304","","","0.057","0.0593","","","","","","0.888","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101637","6.6869","0.0012","13.862","0.003","13.166","0.002","90","","97.899","0.004","90","","1208.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","2","","Zhang, Chun; Jiao, Ning","Dioxygen activation under ambient conditions: Cu-catalyzed oxidative amidation-diketonization of terminal alkynes leading to alpha-ketoamides.","Journal of the American Chemical Society","2010","132","1","28","29","10.1021/ja908911n","","","0.71073","MoKα","","0.0489","0.0427","","","0.1086","0.113","","","","","","0.992","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101638","35.441","0.009","14.902","0.004","30.925","0.011","90","","102.795","0.011","90","","15927","8","80","2","80","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56.57 H58.44 I6 N12 O0.56 Zn3 -","- C55.662 H56.592 I6 N12 O0.561 Zn3 -","- C445.296 H452.736 I48 N96 O4.488 Zn24 -","8","1","","Ohara, Kazuaki; Kawano, Masaki; Inokuma, Yasuhide; Fujita, Makoto","A porous coordination network catalyzes an olefin isomerization reaction in the pore.","Journal of the American Chemical Society","2010","132","1","30","31","10.1021/ja908794n","","","0.6889","Synchrotron","","0.1388","0.0684","","","0.1728","0.2215","","","","","","1.053","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101639","15.4355","0.0018","15.4355","0.0018","22.775","0.005","90","","90","","90","","5426.2","1.5","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","bio-MOF-11","","","- C7 H7 Co N5 O2 -","- C7 H7 Co N5 O2 -","- C112 H112 Co16 N80 O32 -","16","1","","An, Jihyun; Geib, Steven J; Rosi, Nathaniel L","High and selective CO2 uptake in a cobalt adeninate metal-organic framework exhibiting pyrimidine- and amino-decorated pores.","Journal of the American Chemical Society","2010","132","1","38","39","10.1021/ja909169x","","","0.71073","MoKα","","0.1371","0.1047","","","0.2834","0.2974","","","","","","2.388","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101640","22.3571","0.0005","23.4069","0.0005","21.3354","0.0004","90","","90","","90","","11165","0.4","120","","120","","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C53 H93 Co N5 O2 P3 Zr -","- C53 H93 Co N5 O2 P3 Zr -","- C424 H744 Co8 N40 O16 P24 Zr8 -","8","2","","Greenwood, Bennett P.; Rowe, Gerard T.; Chen, Chun-Hsing; Foxman, Bruce M.; Thomas, Christine M.","Metal-metal multiple bonds in early/late heterobimetallics support unusual trigonal monopyramidal geometries at both Zr and Co.","Journal of the American Chemical Society","2010","132","1","44","45","10.1021/ja909310t","","","0.71073","MoKα","","0.0726","0.0423","","0.1114","0.088","0.1114","","","","","","0.9614","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101641","18.2757","0.0006","18.2757","0.0006","18.1771","0.0006","90","","90","","120","","5257.8","0.3","120","","120","","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C27 H63 Co N5 P3 Zr -","- C27 H63 Co N5 P3 Zr -","- C162 H378 Co6 N30 P18 Zr6 -","6","1","","Greenwood, Bennett P.; Rowe, Gerard T.; Chen, Chun-Hsing; Foxman, Bruce M.; Thomas, Christine M.","Metal-metal multiple bonds in early/late heterobimetallics support unusual trigonal monopyramidal geometries at both Zr and Co.","Journal of the American Chemical Society","2010","132","1","44","45","10.1021/ja909310t","","","0.71073","MoKα","","0.0771","0.0402","","0.0915","0.0829","0.0915","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101642","11.9572","0.0005","21.3291","0.0008","40.224","0.0015","90","","92.592","0.002","90","","10248.1","0.7","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H171 Co2 N6 O2.5 P6 Zr2 -","- C100 H171 Co2 N6 O2.5 P6 Zr2 -","- C400 H684 Co8 N24 O10 P24 Zr8 -","4","1","","Greenwood, Bennett P.; Rowe, Gerard T.; Chen, Chun-Hsing; Foxman, Bruce M.; Thomas, Christine M.","Metal-metal multiple bonds in early/late heterobimetallics support unusual trigonal monopyramidal geometries at both Zr and Co.","Journal of the American Chemical Society","2010","132","1","44","45","10.1021/ja909310t","","","0.71073","MoKα","","0.0777","0.0424","","0.0853","0.0788","0.0853","","","","","","1.0036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101643","30.221","0.011","30.221","0.011","23.645","0.012","90","","90","","90","","21595","16","100","2","100","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C35 H43 Li N O6 P Pd S2 -","- C35 H43 Li N O6 P Pd S2 -","- C560 H688 Li16 N16 O96 P16 Pd16 S32 -","16","1","","Shen, Zhongliang; Jordan, Richard F.","Self-assembled tetranuclear palladium catalysts that produce high molecular weight linear polyethylene.","Journal of the American Chemical Society","2010","132","1","52","53","10.1021/ja909473y","","","0.71073","MoKα","","0.0955","0.0603","","","0.1607","0.1708","","","","","","0.871","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101644","10.704","0.005","34.391","0.015","14.836","0.006","90","","90.933","0.007","90","","5461","4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72.5 Cl1.5 Li N3 O10 P Pd S2 -","- C49.78 H72.56 Cl1.56 Li N3 O10 P Pd S2 -","- C199.12 H290.24 Cl6.24 Li4 N12 O40 P4 Pd4 S8 -","4","1","","Shen, Zhongliang; Jordan, Richard F.","Self-assembled tetranuclear palladium catalysts that produce high molecular weight linear polyethylene.","Journal of the American Chemical Society","2010","132","1","52","53","10.1021/ja909473y","","","0.71073","MoKα","","0.2595","0.0868","","","0.178","0.2418","","","","","","0.918","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101645","9.764","0.005","14.101","0.007","18.639","0.007","90","","110.23","0.02","90","","2408","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Cl4 O12 P2 Pd2 S4 -","- C42 H38 Cl4 O12 P2 Pd2 S4 -","- C84 H76 Cl8 O24 P4 Pd4 S8 -","2","0.5","","Shen, Zhongliang; Jordan, Richard F.","Self-assembled tetranuclear palladium catalysts that produce high molecular weight linear polyethylene.","Journal of the American Chemical Society","2010","132","1","52","53","10.1021/ja909473y","","","0.71073","MoKα","","0.0682","0.0463","","","0.0903","0.0962","","","","","","0.997","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101646","12.3776","0.0003","14.4722","0.0004","19.919","0.0006","90","","92.9745","0.001","90","","3563.31","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H35 N Ni O P2 -","- C44 H35 N Ni O P2 -","- C176 H140 N4 Ni4 O4 P8 -","4","1","","Yamauchi, Motoshi; Morimoto, Masao; Miura, Tomoya; Murakami, Masahiro","Enantioselective synthesis of 3,4-dihydroisoquinolin-1(2H)-ones by nickel-catalyzed denitrogenative annulation of 1,2,3-benzotriazin-4(3H)-ones with allenes.","Journal of the American Chemical Society","2010","132","1","54","55","10.1021/ja909603j","","","0.71075","MoKα","","0.0343","0.0295","","","0.0784","0.0814","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101647","11.4536","0.0019","14.49","0.002","16.233","0.003","97.87","0.002","98.337","0.002","106.382","0.002","2512.1","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H73 Fe N4 O Sc Si2 -","- C52 H73 Fe N4 O Sc Si2 -","- C104 H146 Fe2 N8 O2 Sc2 Si4 -","2","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.0948","0.0581","","","0.1341","0.153","","","","","","1.024","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101648","14.3694","0.0013","16.5282","0.0014","19.6525","0.0017","90","","90","","90","","4667.5","0.7","125","2","125","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C49 H63 Fe N4 Si2 Y -","- C49 H63 Fe N4 Si2 Y -","- C196 H252 Fe4 N16 Si8 Y4 -","4","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.085","0.0469","","","0.0859","0.0979","","","","","","0.961","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101649","13.908","0.002","13.942","0.005","14.914","0.003","95.659","0.002","116.825","0.002","98.466","0.002","2507.6","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H64 Fe Lu N5 Si2 -","- C52 H64 Fe Lu N5 Si2 -","- C104 H128 Fe2 Lu2 N10 Si4 -","2","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.042","0.0316","","","0.0658","0.0694","","","","","","1.004","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101650","24.396","0.01","11.83","0.005","16.723","0.007","90","","90","","90","","4826","3","101","2","101","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C50 H67 Fe Lu N4 O Si2 -","- C50 H67 Fe Lu N4 O Si2 -","- C200 H268 Fe4 Lu4 N16 O4 Si8 -","4","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.086","0.0454","","","0.068","0.0789","","","","","","0.978","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101651","10.065","0.003","29.126","0.007","14.029","0.004","90","","100.204","0.003","90","","4047.6","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H62 Fe N3 O2 Si2 Y -","- C39 H62 Fe N3 O2 Si2 Y -","- C156 H248 Fe4 N12 O8 Si8 Y4 -","4","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.1139","0.0521","","","0.0911","0.1082","","","","","","0.983","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101652","45.634","0.013","9.376","0.003","20.379","0.006","90","","99.243","0.003","90","","8606","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 Fe La N3 O Si2 -","- C44 H62 Fe La N3 O Si2 -","- C352 H496 Fe8 La8 N24 O8 Si16 -","8","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.1001","0.0497","","","0.0766","0.0907","","","","","","0.991","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101653","19.018","0.003","17.284","0.003","11.281","0.002","90","","90","","90","","3708.1","1.1","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C35 H57 Fe La N2 O Si2 -","- C35 H57 Fe La N2 O Si2 -","- C140 H228 Fe4 La4 N8 O4 Si8 -","4","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.0565","0.0364","","","0.0601","0.0657","","","","","","1.006","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101654","39.536","0.004","47.303","0.004","11.3457","0.001","90","","90","","90","","21218","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C57 H70 Fe N5 Si2 Y -","- C57 H70 Fe N5 Si2 Y -","- C912 H1120 Fe16 N80 Si32 Y16 -","16","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.0961","0.0579","","","0.1185","0.1336","","","","","","1.001","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101655","27.282","0.003","13.0297","0.0015","14.8077","0.0017","90","","99.407","0.001","90","","5193","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H54 Fe N5 Si2 Y -","- C37 H54 Fe N5 Si2 Y -","- C148 H216 Fe4 N20 Si8 Y4 -","4","0.5","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.0988","0.0627","","","0.2125","0.2318","","","","","","1.196","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101656","7.5973","0.0006","12.6018","0.001","34.196","0.002","90","","90","","90","","3273.9","0.4","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37 Br Cl2 O9 -","- C31 H37 Br Cl2 O9 -","- C124 H148 Br4 Cl8 O36 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71074","MoKα","","0.1841","0.1098","","","0.2106","0.2289","","","","","","1.464","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101657","9.0904","0.0003","10.349","0.0003","30.9898","0.0014","90","","90","","90","","2915.41","0.18","295","2","295","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H16 Cl2 O3 -","- C14 H16 Cl2 O3 -","- C112 H128 Cl16 O24 -","8","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71069","MoKα","","0.0903","0.0472","","","0.1096","0.135","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101658","7","0.0007","17.7274","0.0016","12.3192","0.0014","90","","92.187","0.004","90","","1527.6","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cl2 O3 -","- C15 H18 Cl2 O3 -","- C60 H72 Cl8 O12 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71069","MoKα","","0.0949","0.0646","","","0.1647","0.1839","","","","","","1.047","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101659","7.2623","0.0004","8.6146","0.0004","12.9699","0.0009","105.49","0.002","88.947","0.002","93.441","0.004","780.54","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 Cl2 O3 -","- C15 H18 Cl2 O3 -","- C30 H36 Cl4 O6 -","2","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71069","MoKα","","0.0912","0.0666","","","0.2015","0.2377","","","","","","0.95","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101660","7.1261","0.0003","10.5633","0.0005","12.464","0.0009","90","","90","","90","","938.23","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","1.5418","CuKα","","0.0342","0.0315","","","0.0769","0.0811","","","","","","0.971","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101661","11.252","0.003","14.425","0.003","14.949","0.004","68.148","0.003","70.938","0.004","72.309","0.004","2082.1","0.9","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 Br O5 -","- C23 H27 Br O5 -","- C92 H108 Br4 O20 -","4","2","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71069","MoKα","","0.0579","0.0416","","","0.0923","0.1002","","","","","","1.001","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101662","22.958","0.002","7.2742","0.0007","18.915","0.002","90","0.005","90","0.005","90","0.005","3158.8","0.5","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Br Cl2 O3 -","- C15 H17 Br Cl2 O3 -","- C120 H136 Br8 Cl16 O24 -","8","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71069","MoKα","","0.1162","0.0599","","","0.1123","0.1319","","","","","","1.063","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101663","6.6611","0.0008","10.6173","0.001","24.981","0.002","90","","90","","90","","1766.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br F3 O6 S -","- C15 H18 Br F3 O6 S -","- C60 H72 Br4 F12 O24 S4 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71069","MoKα","","0.0307","0.0267","","","0.0547","0.0561","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101664","5.7276","0.0002","10.5267","0.0006","22.9283","0.0012","90","","90","","90","","1382.41","0.12","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br O4 -","- C14 H19 Br O4 -","- C56 H76 Br4 O16 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.7107","MoKα","","0.0548","0.0412","","","0.0899","0.0975","","","","","","1.05","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101665","5.7276","0.0002","10.5267","0.0006","22.9283","0.0012","90","","90","","90","","1382.41","0.12","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br O4 -","- C13.3 H17.6 Br0.65 O4 -","- C53.2 H70.4 Br2.6 O16 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.7107","MoKα","","0.0548","0.0412","","","0.0899","0.0975","","","","","","1.05","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101666","5.7276","0.0002","10.5267","0.0006","22.9283","0.0012","90","","90","","90","","1382.41","0.12","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br O4 -","- C12.7 H16.4 Br0.35 O4 -","- C50.8 H65.6 Br1.4 O16 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.7107","MoKα","","0.0548","0.0412","","","0.0899","0.0975","","","","","","1.05","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101667","5.6298","0.0004","8.2145","0.0006","37.372","0.003","90","","90","","90","","1728.3","0.2","85","2","85","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Br N O3 -","- C21 H16 Br N O3 -","- C84 H64 Br4 N4 O12 -","4","1","","Duffey, Trisha A.; Shaw, Scott A.; Vedejs, Edwin","AcOLeDMAP and BnOLeDMAP: conformationally restricted nucleophilic catalysts for enantioselective rearrangement of indolyl acetates and carbonates.","Journal of the American Chemical Society","2009","131","1","14","15","10.1021/ja805541u","","","0.71073","MoKα","","0.0218","0.0217","","","0.0543","0.0544","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101668","7.2377","0.0018","10.127","0.003","15.948","0.004","103.179","0.003","96.629","0.003","109.845","0.003","1046.6","0.5","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H20 Br N O3 -","- C25 H20 Br N O3 -","- C50 H40 Br2 N2 O6 -","2","2","","Duffey, Trisha A.; Shaw, Scott A.; Vedejs, Edwin","AcOLeDMAP and BnOLeDMAP: conformationally restricted nucleophilic catalysts for enantioselective rearrangement of indolyl acetates and carbonates.","Journal of the American Chemical Society","2009","131","1","14","15","10.1021/ja805541u","","","0.71073","MoKα","","0.0365","0.0279","","","0.0604","0.0639","","","","","","1.024","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101669","8.3738","0.0008","11.4894","0.0011","21.864","0.002","90","","90","","90","","2103.5","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 O3 -","- C22 H29 N3 O3 -","- C88 H116 N12 O12 -","4","1","","Duffey, Trisha A.; Shaw, Scott A.; Vedejs, Edwin","AcOLeDMAP and BnOLeDMAP: conformationally restricted nucleophilic catalysts for enantioselective rearrangement of indolyl acetates and carbonates.","Journal of the American Chemical Society","2009","131","1","14","15","10.1021/ja805541u","","","0.71073","MoKα","","0.0345","0.0312","","","0.0805","0.083","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101670","12.5925","0.0007","13.144","0.0007","19.0071","0.001","89.02","0.001","74.248","0.001","63.938","0.001","2700.9","0.3","571","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H81 Cl4 N O2 P2 Ru S -","- C51 H81 Cl4 N O2 P2 Ru S -","- C102 H162 Cl8 N2 O4 P4 Ru2 S2 -","2","1","","Yun, Sang Young; Kim, Mansuk; Lee, Daesung; Wink, Donald J.","Structure and reactivity of alkynyl ruthenium alkylidenes.","Journal of the American Chemical Society","2009","131","1","24","25","10.1021/ja806218x","","","0.71073","MoKα","","0.0567","0.0416","","","0.1143","0.1313","","","","","","0.715","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101671","13.111","0.003","22.22","0.004","18.014","0.004","90","","94.542","0.004","90","","5231.5","1.9","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H72 Cl2 N3 O2 P Ru S -","- C53 H72 Cl2 N3 O2 P Ru S -","- C212 H288 Cl8 N12 O8 P4 Ru4 S4 -","4","1","","Yun, Sang Young; Kim, Mansuk; Lee, Daesung; Wink, Donald J.","Structure and reactivity of alkynyl ruthenium alkylidenes.","Journal of the American Chemical Society","2009","131","1","24","25","10.1021/ja806218x","","","0.71073","MoKα","","0.1521","0.0832","","","0.1475","0.1732","","","","","","1.049","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101672","9.152","0.002","12.81","0.003","15.916","0.004","77.958","0.004","81.559","0.004","84.934","0.004","1801.9","0.7","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 Cl5 O P Ru -","- C34 H48 Cl5 O P Ru -","- C68 H96 Cl10 O2 P2 Ru2 -","2","1","","Yun, Sang Young; Kim, Mansuk; Lee, Daesung; Wink, Donald J.","Structure and reactivity of alkynyl ruthenium alkylidenes.","Journal of the American Chemical Society","2009","131","1","24","25","10.1021/ja806218x","","","0.71073","Mo-Kα","","0.065","0.0549","","","0.1472","0.155","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101673","9.034","0.003","9.516","0.003","11.485","0.003","84.428","0.008","81.872","0.008","83.45","0.009","967.7","0.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","Pt2(tfepma)2Cl2","","","- C18 H22 Cl2 F24 N2 O8 P4 Pt2 -","- C18 H22 Cl2 F24 N2 O8 P4 Pt2 -","- C18 H22 Cl2 F24 N2 O8 P4 Pt2 -","1","0.5","","Cook, Timothy R.; Surendranath, Yogesh; Nocera, Daniel G.","Chlorine photoelimination from a diplatinum core: circumventing the back reaction.","Journal of the American Chemical Society","2009","131","1","28","29","10.1021/ja807222p","","","0.71073","MoKα","","0.0195","0.0178","","","0.0432","0.0442","","","","","","1.037","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101674","23.3862","0.0014","8.7562","0.0005","22.1281","0.0013","90","","109.955","0.001","90","","4259.2","0.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Pt2(tfepma)2Cl6","","","- C18 H22 Cl6 F24 N2 O8 P4 Pt2 -","- C18 H22 Cl6 F24 N2 O8 P4 Pt2 -","- C72 H88 Cl24 F96 N8 O32 P16 Pt8 -","4","0.5","","Cook, Timothy R.; Surendranath, Yogesh; Nocera, Daniel G.","Chlorine photoelimination from a diplatinum core: circumventing the back reaction.","Journal of the American Chemical Society","2009","131","1","28","29","10.1021/ja807222p","","","0.71073","MoKα","","0.0303","0.0235","","","0.053","0.0565","","","","","","1.084","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101675","10.499","0.003","13.544","0.004","29.154","0.009","90","","99.423","0.005","90","","4090","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Pt2(tfepma)2Cl4","","","- C18 H22 Cl4 F24 N2 O8 P4 Pt2 -","- C18 H22 Cl4 F24 N2 O8 P4 Pt2 -","- C72 H88 Cl16 F96 N8 O32 P16 Pt8 -","4","1","","Cook, Timothy R.; Surendranath, Yogesh; Nocera, Daniel G.","Chlorine photoelimination from a diplatinum core: circumventing the back reaction.","Journal of the American Chemical Society","2009","131","1","28","29","10.1021/ja807222p","","","0.71073","MoKα","","0.0594","0.0476","","","0.0911","0.095","","","","","","1.336","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101676","15.295","0.002","15.739","0.002","16.395","0.003","82.06","0.003","76.309","0.002","62.259","0.002","3392.1","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H96.26 Cl1.74 O4.13 Pt2 -","- C77.002 H96.266 Cl1.742 O4.131 Pt2 -","- C154.004 H192.532 Cl3.484 O8.262 Pt4 -","2","1","","Cook, Timothy R.; Surendranath, Yogesh; Nocera, Daniel G.","Chlorine photoelimination from a diplatinum core: circumventing the back reaction.","Journal of the American Chemical Society","2009","131","1","28","29","10.1021/ja807222p","","","0.71073","MoKα","","0.0648","0.0446","","","0.0955","0.1052","","","","","","1.018","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101677","11.621","0.002","16.506","0.003","22.836","0.004","91.323","0.004","90.869","0.004","110.373","0.004","4104","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Pt2(tfepma)2Cl4","","","- C18 H22 Cl4 F24 N2 O8 P4 Pt2 -","- C18 H22 Cl4 F24 N2 O8 P4 Pt2 -","- C72 H88 Cl16 F96 N8 O32 P16 Pt8 -","4","2","","Cook, Timothy R.; Surendranath, Yogesh; Nocera, Daniel G.","Chlorine photoelimination from a diplatinum core: circumventing the back reaction.","Journal of the American Chemical Society","2009","131","1","28","29","10.1021/ja807222p","","","0.71073","MoKα","","0.0971","0.0595","","","0.1295","0.1549","","","","","","1.015","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101678","25.0365","0.0005","11.1259","0.0002","24.5183","0.0005","90","","113.503","0.001","90","","6263.1","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H82 B2 Fe N12 -","- C72 H82 B2 Fe N12 -","- C288 H328 B8 Fe4 N48 -","4","1","","Ni, Zhaoping; Shores, Matthew P","Magnetic observation of anion binding in iron coordination complexes: toward spin-switching chemosensors.","Journal of the American Chemical Society","2009","131","1","32","33","10.1021/ja807379a","","","0.71073","MoKα","","0.0411","0.0343","","","0.0862","0.0928","","","","","","1.034","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101679","25.4833","0.0007","11.1536","0.0003","24.7455","0.0007","90","","113.466","0.001","90","","6451.7","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H82 B2 Fe N12 -","- C72 H82 B2 Fe N12 -","- C288 H328 B8 Fe4 N48 -","4","1","","Ni, Zhaoping; Shores, Matthew P","Magnetic observation of anion binding in iron coordination complexes: toward spin-switching chemosensors.","Journal of the American Chemical Society","2009","131","1","32","33","10.1021/ja807379a","","","0.71073","MoKα","","0.194","0.055","","","0.0837","0.1072","","","","","","1","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101680","13.4698","0.0004","18.017","0.0005","13.9282","0.0004","90","","115.011","0.001","90","","3063.2","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H82 B2 Fe N12 -","- C72 H82 B2 Fe N12 -","- C144 H164 B4 Fe2 N24 -","2","1","","Ni, Zhaoping; Shores, Matthew P","Magnetic observation of anion binding in iron coordination complexes: toward spin-switching chemosensors.","Journal of the American Chemical Society","2009","131","1","32","33","10.1021/ja807379a","","","0.71073","MoKα","","0","0.0323","","","0.0858","0.0936","","","","","","0.992","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101681","9.3168","0.0004","31.7028","0.0012","16.0446","0.0006","90","","90.283","0.002","90","","4739","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H62 B Br Fe N12 O -","- C49 H62 B Br Fe N12 O -","- C196 H248 B4 Br4 Fe4 N48 O4 -","4","1","","Ni, Zhaoping; Shores, Matthew P","Magnetic observation of anion binding in iron coordination complexes: toward spin-switching chemosensors.","Journal of the American Chemical Society","2009","131","1","32","33","10.1021/ja807379a","","","0.71073","MoKα","","0.0919","0.0534","","","0.1303","0.1507","","","","","","1.01","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101682","9.4246","0.0004","31.7843","0.0013","16.3078","0.0007","90","","90","","90","","4885.1","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 B Br Fe N12 -","- C48 H62 B Br Fe N12 -","- C192 H248 B4 Br4 Fe4 N48 -","4","1","","Ni, Zhaoping; Shores, Matthew P","Magnetic observation of anion binding in iron coordination complexes: toward spin-switching chemosensors.","Journal of the American Chemical Society","2009","131","1","32","33","10.1021/ja807379a","","","0.71073","MoKα","","0.2259","0.0661","","","0.1515","0.1829","","","","","","1.005","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101683","11.849","0.0004","16.5426","0.0006","18.2817","0.0006","90","","92.494","0.001","90","","3580.1","0.2","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 Fe N4 -","- C40 H50 Fe N4 -","- C160 H200 Fe4 N16 -","4","1","","Russell, Sarah K.; Lobkovsky, Emil; Chirik, Paul J.","N-N bond cleavage in diazoalkanes by a bis(imino)pyridine iron complex.","Journal of the American Chemical Society","2009","131","1","36","37","10.1021/ja8075132","","","0.71073","MoKα","","0.0843","0.0471","","","0.1073","0.1244","","","","","","0.988","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101684","7.02","0.003","8.139","0.003","9.731","0.004","90","","104.87","0.03","90","","537.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H13 Cl3 Co N2 -","- C5 H13 Cl3 Co N2 -","- C10 H26 Cl6 Co2 N4 -","2","1","","Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi; Zhang, Wen; Xiong, Ren-Gen; Huang, Songping D","Hydrogen-bonded ferroelectrics based on metal-organic coordination.","Journal of the American Chemical Society","2009","131","1","42","43","10.1021/ja808331g","","","0.71073","MoKα","","0.035","0.0295","","","0.0616","0.065","","","","","","1.047","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101685","7.0385","0.0014","8.1172","0.0016","9.754","0.002","90","","105.06","0.03","90","","538.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H13 Cl3 N2 Zn -","- C5 H13 Cl3 N2 Zn -","- C10 H26 Cl6 N4 Zn2 -","2","1","","Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi; Zhang, Wen; Xiong, Ren-Gen; Huang, Songping D","Hydrogen-bonded ferroelectrics based on metal-organic coordination.","Journal of the American Chemical Society","2009","131","1","42","43","10.1021/ja808331g","","","0.71073","MoKα","","0.042","0.0364","","","0.0758","0.0786","","","","","","1.022","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101686","18.1452","0.0008","12.6687","0.0003","19.7459","0.0009","90","","112.809","0.0016","90","","4184.2","0.3","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 B F12 O -","- C22 H13 B F12 O -","- C176 H104 B8 F96 O8 -","8","2","","Ullrich, Matthias; Lough, Alan J.; Stephan, Douglas W.","Reversible, metal-free, heterolytic activation of H2 at room temperature.","Journal of the American Chemical Society","2009","131","1","52","53","10.1021/ja808506t","","","0.71073","MoKα","","0.0988","0.0461","","","0.0972","0.1204","","","","","","1.024","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101687","16.964","0.002","16.964","0.002","9.963","0.002","90","","90","","120","","2483","0.6","150","1","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C36 H38 B F12 P -","- C36 H38 B F12 P -","- C108 H114 B3 F36 P3 -","3","0.333333","","Ullrich, Matthias; Lough, Alan J.; Stephan, Douglas W.","Reversible, metal-free, heterolytic activation of H2 at room temperature.","Journal of the American Chemical Society","2009","131","1","52","53","10.1021/ja808506t","","","0.71073","MoKα","","0.0429","0.0359","","","0.0802","0.0855","","","","","","1.018","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101688","14.7861","0.0006","12.0082","0.0006","15.9814","0.001","90","","105.197","0.004","90","","2738.3","0.3","103","2","103","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C32 H26 N4 O4 -","- C32 H26 N4 O4 -","- C128 H104 N16 O16 -","4","1","","Kawabata, Takeo; Jiang, Changsheng; Hayashi, Kazuhiro; Tsubaki, Kazunori; Yoshimura, Tomoyuki; Majumdar, Swapan; Sasamori, Takahiro; Tokitoh, Norihiro","Axially chiral binaphthyl surrogates with an inner N-H-N hydrogen bond.","Journal of the American Chemical Society","2009","131","1","54","55","10.1021/ja808213r","","","0.71069","MoKα","","0.075","0.0423","","","0.0966","0.1113","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101689","10.8412","0.0015","18.736","0.003","29.809","0.004","90","","90","","90","","6054.8","1.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C60.25 H87.25 Br2 Mo N2 O2 P1.25 Si -","- C60.25 H87.25 Br2 Mo N2 O2 P1.25 Si -","- C241 H349 Br8 Mo4 N8 O8 P5 Si4 -","4","1","","Marinescu, Smaranda C.; Schrock, Richard R.; Li, Bo; Hoveyda, Amir H.","Inversion of configuration at the metal in diastereomeric imido alkylidene monoaryloxide monopyrrolide complexes of molybdenum.","Journal of the American Chemical Society","2009","131","1","58","59","10.1021/ja808308e","","","0.71073","MoKα","","0.0448","0.0401","","","0.1015","0.1047","","","","","","1.047","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101690","29.009","0.018","22.577","0.018","43.99","0.03","90","","96.182","0.017","90","","28643","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C130 H102.75 Cl3 F30 P11 Re2 S6 -","- C127.5 H101.5 Cl2.5 F24 P10 Re2 S6 -","- C1020 H812 Cl20 F192 P80 Re16 S48 -","8","1","","Grapperhaus, Craig A.; Ouch, Kagna; Mashuta, Mark S.","Redox-regulated ethylene binding to a rhenium-thiolate complex.","Journal of the American Chemical Society","2009","131","1","64","65","10.1021/ja8086483","","","0.71073","MoKα","","0.1253","0.0749","","","0.1843","0.1969","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101691","16.4246","0.0007","7.3362","0.0003","19.1152","0.0008","90","","103.219","0.004","90","","2242.24","0.17","135","2","135","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C24 H20 Ag N6 P -","- C24 H20 Ag N6 P -","- C96 H80 Ag4 N24 P4 -","4","1","","Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias","The binary silver nitrogen anion [Ag(N3)2]-.","Journal of the American Chemical Society","2009","131","1","72","74","10.1021/ja8077544","","","0.71073","MoKα","","0.0517","0.0308","","","0.0814","0.0885","","","","","","0.981","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101692","16.3409","0.0012","10.5219","0.0008","10.6388","0.0006","90","","94.213","0.006","90","","1824.3","0.2","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H15 Ag N6 S -","- C18 H15 Ag N6 S -","- C72 H60 Ag4 N24 S4 -","4","1","","Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias","The binary silver nitrogen anion [Ag(N3)2]-.","Journal of the American Chemical Society","2009","131","1","72","74","10.1021/ja8077544","","","0.71073","MoKα","","0.0616","0.037","","","0.0686","0.0796","","","","","","1.041","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101693","14.2571","0.0007","12.4154","0.0007","9.4505","0.0005","90","","100.12","0.004","90","","1646.78","0.15","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- As K3 S11 Ta2 -","- As K3 S11 Ta2 -","- As4 K12 S44 Ta8 -","4","1","","Bera, Tarun K.; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G.","Strong second harmonic generation from the tantalum thioarsenates A3Ta2AsS11 (A = K and Rb).","Journal of the American Chemical Society","2009","131","1","75","77","10.1021/ja807928d","","","0.71073","MoKα","","0.0223","0.0215","","","0.0546","0.0548","","","","","","1.034","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101694","14.4397","0.0008","12.8013","0.0009","9.5687","0.0005","90","","99.289","0.004","90","","1745.55","0.18","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- As Rb3 S11 Ta2 -","- As Rb3 S11 Ta2 -","- As4 Rb12 S44 Ta8 -","4","1","","Bera, Tarun K.; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G.","Strong second harmonic generation from the tantalum thioarsenates A3Ta2AsS11 (A = K and Rb).","Journal of the American Chemical Society","2009","131","1","75","77","10.1021/ja807928d","","","0.71073","MoKα","","0.0331","0.031","","","0.0658","0.0663","","","","","","1.047","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101695","9.5967","0.0007","13.5926","0.0007","14.716","0.001","90","","98.876","0.006","90","","1896.6","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As Cs3 S11 Ta2 -","- As Cs3 S11 Ta2 -","- As4 Cs12 S44 Ta8 -","4","1","","Bera, Tarun K.; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G.","Strong second harmonic generation from the tantalum thioarsenates A3Ta2AsS11 (A = K and Rb).","Journal of the American Chemical Society","2009","131","1","75","77","10.1021/ja807928d","","","0.71073","MoKα","","0.0559","0.0419","","","0.063","0.0659","","","","","","1.168","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101696","15.109","0.003","6.1735","0.0012","24.395","0.005","90","","91.535","0.004","90","","2274.6","0.8","89","2","89","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 O -","- C29 H32 O -","- C116 H128 O4 -","4","1","","Mitchell, Reginald H.; Zhang, Rui; Berg, David J.; Twamley, Brendan; Williams, Richard Vaughan","Measuring aromaticity with the dimethyldihydropyrene ring current probe. Experimental and computational studies of the fulvenes and the strongly antiaromatic cyclopentadienone reveal large Mills-Nixon-type bond localization effects. Synthesis of fulvene-fused dihydropyrenes.","Journal of the American Chemical Society","2009","131","1","189","199","10.1021/ja806427n","","x-ray","0.71073","MoKα","","0.0954","0.0685","","","0.1519","0.1622","","","","","","1.097","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"4101697","9.685","0.004","10.666","0.004","12.406","0.005","112.859","0.007","91.953","0.008","103.258","0.008","1138.5","0.8","86","2","86","2","","","","","","","","3","P -1","-P 1","2","Cyclopentenone-tBuDHP","","","- C29 H34 O -","- C29 H34 O -","- C58 H68 O2 -","2","1","","Mitchell, Reginald H.; Zhang, Rui; Berg, David J.; Twamley, Brendan; Williams, Richard Vaughan","Measuring aromaticity with the dimethyldihydropyrene ring current probe. Experimental and computational studies of the fulvenes and the strongly antiaromatic cyclopentadienone reveal large Mills-Nixon-type bond localization effects. Synthesis of fulvene-fused dihydropyrenes.","Journal of the American Chemical Society","2009","131","1","189","199","10.1021/ja806427n","","x-ray","0.71073","MoKα","","0.1308","0.0668","","","0.1474","0.1758","","","","","","0.999","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101698","16.893","0.003","21.358","0.004","8.0731","0.0016","90","","90","","90","","2912.8","0.9","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H20 F4 N0 O4 P2 W -","- C34 H18 F4 O4 P2 W -","- C136 H72 F16 O16 P8 W4 -","4","0.5","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71073","MoKα","","0.0247","0.0208","","","0.045","0.0463","","","","","","1.027","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101699","8.8522","0.0018","10.297","0.002","12.389","0.003","90","","107.84","0.03","90","","1075","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cl N2 O4 Re -","- C7 H6 Cl N2 O4 Re -","- C28 H24 Cl4 N8 O16 Re4 -","4","1","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71073","MoKα","","0.0312","0.0264","","","0.0596","0.0619","","","","","","1.039","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101700","9.03","0.005","10.898","0.005","19.929","0.005","75.388","0.005","82.356","0.005","68.013","0.005","1758.1","1.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H30 Cl F2 N2 O6 P2 Re -","- C36 H24 Cl F2 N2 O6 P2 Re -","- C72 H48 Cl2 F4 N4 O12 P4 Re2 -","2","1","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71069","MoKα","","0.0368","0.0308","","","0.066","0.069","","","","","","1.045","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101701","9.8118","0.0004","19.1632","0.0006","17.1424","0.0007","90","","93.836","0.003","90","","3216","0.2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 F3 N2 O3 P2 Re -","- C36 H24 F3 N2 O3 P2 Re -","- C144 H96 F12 N8 O12 P8 Re4 -","4","1","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","1.54178","CuKα","","0.0567","0.0359","","","0.0671","0.0702","","","","","","0.88","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101702","9.9913","0.0012","10.8606","0.0014","18.072","0.002","96.301","0.003","101.241","0.002","114.69","0.002","1706.9","0.4","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26.5 Cl3 F2 N2 O2.25 P2 Re -","- C36 H26 Cl3 F2 N2 O2.25 P2 Re -","- C72 H52 Cl6 F4 N4 O4.5 P4 Re2 -","2","1","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71073","MoKα","","0.0518","0.0415","","","0.0858","0.0895","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101703","12.506","0.003","13.456","0.003","12.976","0.003","90","","91.53","0.03","90","","2182.8","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br Mn N2 O4 -","- C7 H6 Br Mn N2 O4 -","- C56 H48 Br8 Mn8 N16 O32 -","8","2","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71073","MoKα","","0.0387","0.0282","","","0.0511","0.0541","","","","","","1.02","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101704","16.493","0.003","11.902","0.002","18.845","0.003","90","","105.589","0.004","90","","3563.2","1.1","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 Br Cl2 F2 Mn N2 O3 P2 -","- C37 H26 Br Cl2 F2 Mn N2 O3 P2 -","- C148 H104 Br4 Cl8 F8 Mn4 N8 O12 P8 -","4","1","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71073","MoKα","","0.0684","0.0449","","","0.1054","0.1155","","","","","","1.027","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101705","13.051","0.007","9.533","0.005","20.391","0.011","90","","101.09","0.03","90","","2490","2","100","","100","","","","","","","","dimethylformamide","4","P 1 21/c 1","-P 2ybc","14","","4-trans-(3',5'-di-tert-butyl-phenyldiazo)-3-spiro-(N- methyl-4'-piperidyl)-phthalide","","- C27 H35 N3 O2 -","- C27 H35 N3 O2 -","- C108 H140 N12 O8 -","4","1","","Stoll, Ragnar S; Peters, Maike V; Kuhn, Andreas; Heiles, Sven; Goddard, Richard; Bühl, Michael; Thiele, Christina M; Hecht, Stefan","Photoswitchable catalysts: correlating structure and conformational dynamics with reactivity by a combined experimental and computational approach.","Journal of the American Chemical Society","2009","131","1","357","367","10.1021/ja807694s","","","1.54178","CuKα","","0.2251","0.0659","","","0.1473","0.1977","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101706","11.465","0.002","11.577","0.002","18.72","0.004","91.16","0.03","103.05","0.03","104.05","0.03","2340.7","0.9","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H34 Cl4 F4 N4 O6 P2 Re2 -","- C42.9 H34 Cl4 F4 N4 O5.9 P2 Re2 -","- C85.8 H68 Cl8 F8 N8 O11.8 P4 Re4 -","2","1","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71073","MoKα","","0.0393","0.0308","","","0.0625","0.0658","","","","","","1.033","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101707","51.292","0.004","13.2238","0.0011","29.0236","0.0019","90","","118.497","0.007","90","","17301","3","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H41 N3 O2 -","- C30 H41 N3 O2 -","- C720 H984 N72 O48 -","24","3","","Stoll, Ragnar S; Peters, Maike V; Kuhn, Andreas; Heiles, Sven; Goddard, Richard; Bühl, Michael; Thiele, Christina M; Hecht, Stefan","Photoswitchable catalysts: correlating structure and conformational dynamics with reactivity by a combined experimental and computational approach.","Journal of the American Chemical Society","2009","131","1","357","367","10.1021/ja807694s","","","0.71073","MoKα","","0.0891","0.0438","","","0.085","0.0949","","","","","","0.81","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101708","11.201","0.005","11.8","0.005","20.504","0.005","92.239","0.005","100.058","0.005","117.123","0.005","2353.1","1.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H50 Cl F4 N2 O6 P2 Re -","- C48 H42 Cl F4 N2 O6 P2 Re -","- C96 H84 Cl2 F8 N4 O12 P4 Re2 -","2","1","","Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt","Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.","Journal of the American Chemical Society","2009","131","1","306","317","10.1021/ja807333f","","","0.71069","MoKα","","0.0448","0.0415","","","0.0987","0.1005","","","","","","1.095","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101709","11.3812","0.0004","24.8447","0.001","12.4766","0.0004","90","","116.154","0.003","90","","3166.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-trans-(3',5'-bis-(2,6-dimethylphenyl)phenyldiazo)-3-spiro- (N-tert-butyl-4'-piperidyl)-phthalide","","- C38 H41 N3 O2 -","- C38 H41 N3 O2 -","- C152 H164 N12 O8 -","4","1","","Stoll, Ragnar S; Peters, Maike V; Kuhn, Andreas; Heiles, Sven; Goddard, Richard; Bühl, Michael; Thiele, Christina M; Hecht, Stefan","Photoswitchable catalysts: correlating structure and conformational dynamics with reactivity by a combined experimental and computational approach.","Journal of the American Chemical Society","2009","131","1","357","367","10.1021/ja807694s","","","0.71073","MoKα","","0.0778","0.0392","","","0.0697","0.0773","","","","","","0.835","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101710","7.5388","0.0013","13.771","0.002","14.573","0.002","93.35","0.02","102.371","0.019","100.33","0.02","1446.4","0.4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H41 N3 O2 -","- C30 H41 N3 O2 -","- C60 H82 N6 O4 -","2","1","","Stoll, Ragnar S; Peters, Maike V; Kuhn, Andreas; Heiles, Sven; Goddard, Richard; Bühl, Michael; Thiele, Christina M; Hecht, Stefan","Photoswitchable catalysts: correlating structure and conformational dynamics with reactivity by a combined experimental and computational approach.","Journal of the American Chemical Society","2009","131","1","357","367","10.1021/ja807694s","","","0.71073","MoKα","","0.1186","0.0463","","","0.0877","0.1037","","","","","","0.789","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101711","6.3122","0.0007","12.153","0.001","28.515","0.003","90","","90","","90","","2187.4","0.4","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C104 H112 O16 -","4","1","","Kim, Hun Young; Salvi, Luca; Carroll, Patrick J.; Walsh, Patrick J.","One-pot catalytic enantio- and diastereoselective syntheses of anti-, syn-cis-disubstituted, and syn-vinyl cyclopropyl alcohols.","Journal of the American Chemical Society","2010","132","1","402","412","10.1021/ja907781t","","","","","","","","","","","","","","","","","","","","","has coordinates","288250","2023-12-12","13:26:53",""
"4101712","10.0592","0.0008","23.0731","0.0018","13.9928","0.0011","90","","109.435","0.001","90","","3062.6","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 N2 O2 -","- C36 H42 N2 O2 -","- C144 H168 N8 O8 -","4","1","","Salata, Michael R.; Marks, Tobin J.","Synthesis, characterization, and marked polymerization selectivity characteristics of binuclear phenoxyiminato organozirconium catalysts.","Journal of the American Chemical Society","2008","130","1","12","13","10.1021/ja076857e","","","0.71073","MoKα","","0.0836","0.0616","","","0.1614","0.1872","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101713","26.914","0.006","9.765","0.002","16.289","0.004","90","","109.311","0.003","90","","4040.1","1.6","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H58 N2 O2 Si2 -","- C42 H58 N2 O2 Si2 -","- C168 H232 N8 O8 Si8 -","4","1","","Salata, Michael R.; Marks, Tobin J.","Synthesis, characterization, and marked polymerization selectivity characteristics of binuclear phenoxyiminato organozirconium catalysts.","Journal of the American Chemical Society","2008","130","1","12","13","10.1021/ja076857e","","","0.71073","MoKα","","0.0533","0.0462","","","0.1123","0.1191","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101714","9.5123","0.0004","9.5123","0.0004","26.472","0.003","90","","90","","120","","2074.4","0.3","100","2","100","2","","","","","","","","5","P 31","P 31","144","DLT3_258","","","- C22 H20 N4 Pb3 S6 -","- C22 H20 N4 Pb3 S6 -","- C66 H60 N12 Pb9 S18 -","3","1","","Turner, Dayna L.; Vaid, Thomas P.; Stephens, Peter W.; Stone, Kevin H.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Semiconducting lead-sulfur-organic network solids.","Journal of the American Chemical Society","2008","130","1","14","15","10.1021/ja0770983","","","0.71073","MoKα","","0.0511","0.035","","","0.0573","0.0613","","","","","","1.033","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4101715","9.7206","0.001","14.3124","0.0014","19.73","0.002","70.85","0.002","81.48","0.002","84.019","0.002","2559.9","0.4","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H78 La2 N4 Si2 -","- C48 H78 La2 N4 Si2 -","- C96 H156 La4 N8 Si4 -","2","1","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds.","Journal of the American Chemical Society","2008","130","1","16","17","10.1021/ja077298e","","","0.71073","MoKα","","0.026","0.0197","","","0.0484","0.0517","","","","","","1.039","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101716","20.4393","0.001","20.4393","0.001","14.4731","0.0013","90","","90","","120","","5236.3","0.6","163","2","163","2","","","","","","","","5","P -3","-P 3","147","","","","- C81 H144 La3 N15 Si6 -","- C81 H144 La3 N15 Si6 -","- C162 H288 La6 N30 Si12 -","2","0.333333","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds.","Journal of the American Chemical Society","2008","130","1","16","17","10.1021/ja077298e","","","0.71073","MoKα","","0.0291","0.0255","","","0.0742","0.0772","","","","","","1.143","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101717","10.6329","0.0009","18.1349","0.0016","19.8862","0.0018","90","","104.163","0.002","90","","3718","0.6","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H57 La N4 Si -","- C34.17 H57 La N4 Si0.93 -","- C136.68 H228 La4 N16 Si3.72 -","4","1","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds.","Journal of the American Chemical Society","2008","130","1","16","17","10.1021/ja077298e","","","0.71073","MoKα","","0.034","0.0246","","","0.0591","0.0638","","","","","","1.041","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101718","10.727","0.006","17.626","0.01","20.211","0.011","90","","104.985","0.009","90","","3691","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H57 N4 Si Sm -","- C34 H57 N4 Si Sm -","- C136 H228 N16 Si4 Sm4 -","4","1","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds.","Journal of the American Chemical Society","2008","130","1","16","17","10.1021/ja077298e","","","0.71073","MoKα","","0.0765","0.0628","","","0.123","0.1274","","","","","","1.311","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101719","28.549","0.002","12.985","0.0011","20.9316","0.0018","90","","129.993","0.001","90","","5944.8","0.8","138","2","138","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H90 N4 Si2 Sm2 -","- C60 H90 N4 Si2 Sm2 -","- C240 H360 N16 Si8 Sm8 -","4","1","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds.","Journal of the American Chemical Society","2008","130","1","16","17","10.1021/ja077298e","","","0.71073","MoKα","","0.0208","0.0199","","","0.0502","0.0508","","","","","","1.035","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101720","9.5887","0.001","14.3066","0.0015","19.579","0.002","69.775","0.002","81.002","0.002","83.535","0.002","2484.3","0.4","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H78 N4 Si2 Sm2 -","- C48 H78 N4 Si2 Sm2 -","- C96 H156 N8 Si4 Sm4 -","2","1","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds.","Journal of the American Chemical Society","2008","130","1","16","17","10.1021/ja077298e","","","0.71073","MoKα","","0.0297","0.0213","","","0.0504","0.0545","","","","","","1.028","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101721","21.7966","0.0008","14.0889","0.0004","22.0906","0.0006","90","","111.263","0.0009","90","","6322","0.3","100","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Co F12 N2 O7 -","- C27 H27 Co F12 N2 O7 -","- C216 H216 Co8 F96 N16 O56 -","8","2","","Ishii, Norio; Okamura, Yoshitomo; Chiba, Susumu; Nogami, Takashi; Ishida, Takayuki","Giant coercivity in a one-dimensional cobalt-radical coordination magnet.","Journal of the American Chemical Society","2008","130","1","24","25","10.1021/ja077666e","","","0.71069","MoKα","","","0.0436","","","","0.0631","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101722","7.603","0.0003","9.635","0.0004","16.183","0.0006","90","","90","","90","","1185.48","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 O3 -","- C13 H15 O3 -","- C52 H60 O12 -","4","1","","Li, De Run; Murugan, Andiappan; Falck, J. R.","Enantioselective, organocatalytic oxy-michael addition to gamma/delta-hydroxy-alpha,beta-enones: boronate-amine complexes as chiral hydroxide synthons.","Journal of the American Chemical Society","2008","130","1","46","48","10.1021/ja076802c","","","0.71073","MoKα","","0.066","0.0506","","","0.1322","0.1491","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101723","10.498","0.002","8.5","0.0017","9.94","0.002","90","","90","","90","","887","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H7.33 Na2 O7.67 P2 Y -","- C2 H3 Na2 O7.67 P2 Y -","- C8 H12 Na8 O30.68 P8 Y4 -","4","0.5","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0529","0.0402","","","0.0941","0.1015","","","","","","1.05","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101724","10.755","0.002","8.847","0.0018","10.534","0.002","90","","90","","90","","1002.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 La2 Na4 O17 P4 -","- C4 H10 La2 Na4 O17 P4 -","- C8 H20 La4 Na8 O34 P8 -","2","0.25","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0345","0.0282","","","0.078","0.0815","","","","","","1.136","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101725","10.6825","0.0002","8.8219","0.0002","10.4567","0.0002","90","","90","","90","","985.44","0.03","150","2","175","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H11 Ce2 Na4 O17 P4 -","- C4 H10 Ce2 Na4 O17 P4 -","- C8 H20 Ce4 Na8 O34 P8 -","2","0.25","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0228","0.0223","","","0.0526","0.0528","","","","","","1.366","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101726","10.476","0.002","8.7385","0.0017","10.543","0.002","90","","90","","90","","965.2","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Na4 Nd2 O17 P4 -","- C4 H10 Na4 Nd2 O17 P4 -","- C8 H20 Na8 Nd4 O34 P8 -","2","0.25","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0199","0.0175","","","0.0431","0.044","","","","","","1.101","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101727","10.438","0.002","8.651","0.0017","10.398","0.002","90","","90","","90","","938.9","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H11 Eu2 Na4 O16.5 P4 -","- C4 H10 Eu2 Na4 O16.5 P4 -","- C8 H20 Eu4 Na8 O33 P8 -","2","0.25","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0242","0.0198","","","0.0475","0.0492","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101728","8.0636","0.0019","9.7171","0.0019","9.972","0.002","90","","100.972","0.008","90","","767.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Eu Na O7 P2 -","- C2 H3 Eu Na O7 P2 -","- C8 H12 Eu4 Na4 O28 P8 -","4","1","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.1007","0.0816","","","0.2385","0.2603","","","","","","1.123","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101729","10.4217","0.0005","8.6462","0.0004","10.3","0.0005","90","","90","","90","","928.11","0.08","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H5 Gd Na2 O8 P2 -","- C2 H3 Gd Na2 O8 P2 -","- C8 H12 Gd4 Na8 O32 P8 -","4","0.5","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","1.5418","CuKα","","0.039","0.0387","","","0.1073","0.1075","","","","","","1.118","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101730","10.519","0.002","8.606","0.0017","9.999","0.002","90","","90","","90","","905.2","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H11 Na4 O16.5 P4 Tb2 -","- C4 H6 Na4 O16.5 P4 Tb2 -","- C8 H12 Na8 O33 P8 Tb4 -","2","0.25","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.066","0.0377","","","0.0689","0.0791","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101731","9.7235","0.0002","9.7323","0.0002","20.421","0.0005","90","","90","","90","","1932.48","0.07","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 Eu O10 P2 -","- C2 H11 Eu O10 P2 -","- C16 H88 Eu8 O80 P16 -","8","1","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.024","0.0168","","","0.0397","0.0438","","","","","","1.132","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101732","9.774","0.005","20.406","0.009","9.805","0.005","90","","90","","90","","1955.6","1.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C2 H8 Ge0.1 Na0.9 Nd0.9 O9 P2 -","- C2 H4 Ge0.1 Na0.9 Nd0.9 O9 P2 -","- C16 H32 Ge0.8 Na7.2 Nd7.2 O72 P16 -","8","1","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0904","0.0457","","","0.0925","0.0983","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101733","11.6223","0.0002","9.1515","0.0002","11.1093","0.0002","90","","111.372","0.001","90","","1100.35","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H13 O11 P2 Y -","- C2 H13 O11 P2 Y -","- C8 H52 O44 P8 Y4 -","4","1","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0256","0.0195","","","0.0444","0.0463","","","","","","1.08","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101734","5.3097","0.0003","6.79","0.0004","12.031","0.0007","80.49","0.002","81.694","0.002","77.851","0.002","415.49","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H7 O8 P2 Yb -","- C2 H7 O8 P2 Yb -","- C4 H14 O16 P4 Yb2 -","2","1","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0151","0.0146","","","0.0351","0.0355","","","","","","1.122","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101735","8.654","0.0004","20.971","0.0009","8.85","0.0004","90","","110.397","0.002","90","","1505.42","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C14 H13 F4 N4 O2 -","- C14 H13 F4 N4 O2 -","- C56 H52 F16 N16 O8 -","4","1","","Murata, Hidenori; Miyazaki, Yuji; Inaba, Akira; Paduan-Filho, Armando; Bindilatti, Valdir; Jr, Nei Fernandes Oliveira; Delen, Zeynep; Lahti, Paul M.","2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1- H-imidazole-3-oxide-1-oxyl, a hydrogen-bonded organic quasi-1D ferromagnet.","Journal of the American Chemical Society","2008","130","1","186","194","10.1021/ja074211g","","","0.71073","MoKα","","0.0863","0.0517","","","0.1613","0.1932","","","","","","1.158","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101736","9.698","0.007","7.153","0.005","11.571","0.007","90","","92.098","0.011","90","","802.1","0.9","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 I O3 -","- C18 H17 I O3 -","- C36 H34 I2 O6 -","2","1","","Liao, Xuebin; Weng, Zhiqiang; Hartwig, John F.","Enantioselective alpha-arylation of ketones with aryl triflates catalyzed by difluorphos complexes of palladium and nickel.","Journal of the American Chemical Society","2008","130","1","195","200","10.1021/ja074453g","","","0.71073","MoKα","","0.1076","0.0533","","","0.1191","0.1406","","","","","","0.872","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101737","4.848","0.001","19.811","0.001","19.907","0.001","90","","94.566","0.001","90","","1905.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-methoxyphenyl)-6,8-dipropyl-2,3-dihydrobenzo[b][1,4]oxathiin-5-ol","","- C21 H26 O3 S -","- C21 H26 O3 S -","- C84 H104 O12 S4 -","4","1","","Amorati, Riccardo; Catarzi, Francesca; Menichetti, Stefano; Pedulli, Gian Franco; Viglianisi, Caterina","Effect of ortho-SR groups on O-H bond strength and H-atom donating ability of phenols: a possible role for the Tyr-Cys link in galactose oxidase active site?","Journal of the American Chemical Society","2008","130","1","237","244","10.1021/ja075554h","","","1.54178","CuKα","","0.0666","0.0439","","","0.1227","0.135","","","","","","1.018","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101738","25.2803","0.0002","23.911","0.0002","35.54","0.0004","90","","102.274","0.0003","90","","20992","0.3","253","2","260","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C143 H195 B4 Cl4 Co4 Fe4 N81 O37 -","- C143 H187 B4 Cl4 Co4 Fe4 N81 O37 -","- C572 H748 B16 Cl16 Co16 Fe16 N324 O148 -","4","1","","Li, Dongfeng; Clérac, Rodolphe; Roubeau, Olivier; Harté, Etienne; Mathonière, Corine; Bris, Rémy Le; Holmes, Stephen M.","Magnetic and optical bistability driven by thermally and photoinduced intramolecular electron transfer in a molecular cobalt-iron prussian blue analogue.","Journal of the American Chemical Society","2008","130","1","252","258","10.1021/ja0757632","","","0.71073","MoKα","","0.1684","0.0962","","","0.2912","0.3288","","","","","","1.016","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101739","25.2662","0.0002","23.5797","0.0002","35.597","0.0003","90","","102.444","0.0003","90","","20709.4","0.3","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C143 H195 B4 Cl4 Co4 Fe4 N81 O37 -","- C143 H187 B4 Cl4 Co4 Fe4 N81 O37 -","- C572 H748 B16 Cl16 Co16 Fe16 N324 O148 -","4","1","","Li, Dongfeng; Clérac, Rodolphe; Roubeau, Olivier; Harté, Etienne; Mathonière, Corine; Bris, Rémy Le; Holmes, Stephen M.","Magnetic and optical bistability driven by thermally and photoinduced intramolecular electron transfer in a molecular cobalt-iron prussian blue analogue.","Journal of the American Chemical Society","2008","130","1","252","258","10.1021/ja0757632","","","0.71073","MoKα","","0.1518","0.0939","","","0.2757","0.3244","","","","","","1.049","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101740","25.0653","0.0003","23.4624","0.0003","34.8074","0.0006","90","","102.365","0.0006","90","","19995.1","0.5","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C143 H195 B4 Cl4 Co4 Fe4 N81 O37 -","- C143 H186.1 B4 Cl4 Co4 Fe4 N81 O37 -","- C572 H744.4 B16 Cl16 Co16 Fe16 N324 O148 -","4","1","","Li, Dongfeng; Clérac, Rodolphe; Roubeau, Olivier; Harté, Etienne; Mathonière, Corine; Bris, Rémy Le; Holmes, Stephen M.","Magnetic and optical bistability driven by thermally and photoinduced intramolecular electron transfer in a molecular cobalt-iron prussian blue analogue.","Journal of the American Chemical Society","2008","130","1","252","258","10.1021/ja0757632","","","0.71073","MoKα","","0.1762","0.0934","","","0.2346","0.2773","","","","","","1.037","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101741","10.258","0.0002","15.2386","0.0003","16.9913","0.0004","90","","96.1396","0.0007","90","","2640.8","0.1","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 B Fe N12 -","- C23 H32 B Fe N12 -","- C92 H128 B4 Fe4 N48 -","4","1","","Li, Dongfeng; Clérac, Rodolphe; Roubeau, Olivier; Harté, Etienne; Mathonière, Corine; Bris, Rémy Le; Holmes, Stephen M.","Magnetic and optical bistability driven by thermally and photoinduced intramolecular electron transfer in a molecular cobalt-iron prussian blue analogue.","Journal of the American Chemical Society","2008","130","1","252","258","10.1021/ja0757632","","","0.71073","MoKα","","0.0793","0.0426","","","0.0851","0.0954","","","","","","1.035","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101742","6.8152","0.0011","10.669","0.002","12.389","0.002","81.193","0.005","75.297","0.005","85.65","0.005","860.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C38 H42 N2 O12 -","2","1","","Nieto-Oberhuber, Cristina; Pérez-Galán, Patricia; Herrero-Gómez, Elena; Lauterbach, Thorsten; Rodríguez, Cristina; López, Salomé; Bour, Christophe; Rosellón, Antonio; Cárdenas, Diego J.; Echavarren, Antonio M.","Gold(I)-Catalyzed Intramolecular [4+2] Cycloadditions of Arylalkynes or 1,3-Enynes with Alkenes: Scope and Mechanism","Journal of the American Chemical Society","2008","130","1","269","279","10.1021/ja075794x","","","0.71073","MoKα","","0.1077","0.0744","","","0.2096","0.239","","","","","","1.017","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4101743","12.9697","0.0014","6.1221","0.0007","14.1396","0.0015","90","","112.992","0.003","90","","1033.5","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C50 H52 O8 -","2","1","","Nieto-Oberhuber, Cristina; Pérez-Galán, Patricia; Herrero-Gómez, Elena; Lauterbach, Thorsten; Rodríguez, Cristina; López, Salomé; Bour, Christophe; Rosellón, Antonio; Cárdenas, Diego J.; Echavarren, Antonio M.","Gold(I)-Catalyzed Intramolecular [4+2] Cycloadditions of Arylalkynes or 1,3-Enynes with Alkenes: Scope and Mechanism","Journal of the American Chemical Society","2008","130","1","269","279","10.1021/ja075794x","","","0.71073","MoKα","","0.0422","0.0389","","","0.1051","0.1083","","","","","","1.059","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4101744","10.5493","0.0004","23.7803","0.0009","16.6927","0.0006","90","","90.11","0.002","90","","4187.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 Au Cl O3 P -","- C42 H63 Au Cl O3 P -","- C168 H252 Au4 Cl4 O12 P4 -","4","1","","Nieto-Oberhuber, Cristina; Pérez-Galán, Patricia; Herrero-Gómez, Elena; Lauterbach, Thorsten; Rodríguez, Cristina; López, Salomé; Bour, Christophe; Rosellón, Antonio; Cárdenas, Diego J.; Echavarren, Antonio M.","Gold(I)-Catalyzed Intramolecular [4+2] Cycloadditions of Arylalkynes or 1,3-Enynes with Alkenes: Scope and Mechanism","Journal of the American Chemical Society","2008","130","1","269","279","10.1021/ja075794x","","","0.71073","MoKα","","0.0486","0.0364","","","0.0913","0.0943","","","","","","1.048","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4101745","14.872","0.003","13.467","0.003","22.558","0.005","90","","90","","90","","4517.9","1.7","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","frowh01","","","- C23 H38 O4 Si -","- C23 H38 O4 Si -","- C184 H304 O32 Si8 -","8","1","","He, Wei; Huang, Jie; Sun, Xiufeng; Frontier, Alison J.","Total Synthesis of (±)-Merrilactone A","Journal of the American Chemical Society","2008","130","1","300","308","10.1021/ja0761986","","","0.71073","MoKα","","0.0624","0.0497","","","0.137","0.1447","","","","","","1.055","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101746","10.3046","0.0009","11.086","0.001","11.7039","0.001","90","","109.354","0.001","90","","1261.46","0.19","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","frowh03","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","He, Wei; Huang, Jie; Sun, Xiufeng; Frontier, Alison J.","Total Synthesis of (±)-Merrilactone A","Journal of the American Chemical Society","2008","130","1","300","308","10.1021/ja0761986","","","0.71073","MoKα","","0.0448","0.0351","","","0.091","0.0971","","","","","","1.025","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101747","11.577","0.001","12.875","0.001","23.402","0.002","94.855","0.001","95.482","0.002","115.991","0.002","3089.7","0.4","123.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H64 B2 F8 Fe2 N10 O3 -","- C67 H64 B2 F8 Fe2 N10 O3 -","- C134 H128 B4 F16 Fe4 N20 O6 -","2","1","","Yamashita, Mai; Furutachi, Hideki; Tosha, Takehiko; Fujinami, Shuhei; Saito, Wataru; Maeda, Yonezo; Takahashi, Kenji; Tanaka, Koji; Kitagawa, Teizo; Suzuki, Masatatsu","Regioselective arene hydroxylation mediated by a (mu-peroxo)diiron(III) complex: a functional model for toluene monooxygenase.","Journal of the American Chemical Society","2007","129","1","2","3","10.1021/ja063987z","","","0.7107","MoKα","","","0.0519","","","","0.0793","","","","","","1.381","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101748","11.75","0.0009","14.469","0.001","17.551","0.001","79.861","0.008","67.12","0.006","82.632","0.009","2700.3","0.3","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H54 Cl2 Fe2 N10 O11 -","- C54 H54 Cl2 Fe2 N10 O11 -","- C108 H108 Cl4 Fe4 N20 O22 -","2","1","","Yamashita, Mai; Furutachi, Hideki; Tosha, Takehiko; Fujinami, Shuhei; Saito, Wataru; Maeda, Yonezo; Takahashi, Kenji; Tanaka, Koji; Kitagawa, Teizo; Suzuki, Masatatsu","Regioselective arene hydroxylation mediated by a (mu-peroxo)diiron(III) complex: a functional model for toluene monooxygenase.","Journal of the American Chemical Society","2007","129","1","2","3","10.1021/ja063987z","","","0.7107","MoKα","","","0.0437","","","","0.0565","","","","","","1.436","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101749","12.497","0.002","22.823","0.003","13.582","0.002","90","","108.548","0.001","90","","3672.6","0.9","123.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H74 Cl8 Fe2 N10 O15 -","- C70 H63 Cl8 Fe2 N10 O15 -","- C140 H126 Cl16 Fe4 N20 O30 -","2","1","","Yamashita, Mai; Furutachi, Hideki; Tosha, Takehiko; Fujinami, Shuhei; Saito, Wataru; Maeda, Yonezo; Takahashi, Kenji; Tanaka, Koji; Kitagawa, Teizo; Suzuki, Masatatsu","Regioselective arene hydroxylation mediated by a (mu-peroxo)diiron(III) complex: a functional model for toluene monooxygenase.","Journal of the American Chemical Society","2007","129","1","2","3","10.1021/ja063987z","","","0.7107","MoKα","","","0.067","","","","0.0894","","","","","","1.416","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101750","14.539","0.005","15.527","0.006","16.016","0.006","96.173","0.003","111.734","0.006","116.84","0.004","2827.3","1.8","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C102 H112 Cl4 Fe4 N24 O24 -","- C102 H96 Cl4 Fe4 N24 O24 -","- C102 H96 Cl4 Fe4 N24 O24 -","1","0.5","","Yamashita, Mai; Furutachi, Hideki; Tosha, Takehiko; Fujinami, Shuhei; Saito, Wataru; Maeda, Yonezo; Takahashi, Kenji; Tanaka, Koji; Kitagawa, Teizo; Suzuki, Masatatsu","Regioselective arene hydroxylation mediated by a (mu-peroxo)diiron(III) complex: a functional model for toluene monooxygenase.","Journal of the American Chemical Society","2007","129","1","2","3","10.1021/ja063987z","","","0.7107","MoKα","","","0.0597","","","","0.0911","","","","","","1.456","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101751","11.2119","0.0004","37.5185","0.0013","13.2026","0.0005","90","","112.318","0.001","90","","5137.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H87 B Cl Fe P3 -","- C51 H87 B Cl Fe P3 -","- C204 H348 B4 Cl4 Fe4 P12 -","4","1","","Lu, Connie C.; Saouma, Caroline T.; Day, Michael W.; Peters, Jonas C.","Fe(I)-mediated reductive cleavage and coupling of CO(2): an Fe(II)(mu-O, mu-CO)Fe(II) core.","Journal of the American Chemical Society","2007","129","1","4","5","10.1021/ja065524z","","","0.71073","MoKα","","0.1442","0.0694","","","0.1094","0.1187","","","","","","1.387","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101752","11.2942","0.0006","14.092","0.0008","17.6538","0.0009","89.927","0.001","87.422","0.001","80.938","0.001","2771.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H98 B Fe P4 -","- C54 H98 B Fe P4 -","- C108 H196 B2 Fe2 P8 -","2","1","","Lu, Connie C.; Saouma, Caroline T.; Day, Michael W.; Peters, Jonas C.","Fe(I)-mediated reductive cleavage and coupling of CO(2): an Fe(II)(mu-O, mu-CO)Fe(II) core.","Journal of the American Chemical Society","2007","129","1","4","5","10.1021/ja065524z","","","0.71073","MoKα","","0.0787","0.0465","","","0.0804","0.0846","","","","","","1.443","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101753","11.271","0.0007","23.084","0.0015","22.3839","0.0014","90","","91.328","0.001","90","","5822.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H104 B Fe N P3 -","- C61 H104 B Fe N P3 -","- C244 H416 B4 Fe4 N4 P12 -","4","1","","Lu, Connie C.; Saouma, Caroline T.; Day, Michael W.; Peters, Jonas C.","Fe(I)-mediated reductive cleavage and coupling of CO(2): an Fe(II)(mu-O, mu-CO)Fe(II) core.","Journal of the American Chemical Society","2007","129","1","4","5","10.1021/ja065524z","","","0.71073","MoKα","","0.1848","0.1185","","","0.1912","0.1947","","","","","","3.506","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4101754","16.7997","0.0017","19.67","0.002","18.2319","0.0019","90","","105.532","0.002","90","","5804.7","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C129 H208 B2 Fe2 P6 -","- C129 H208 B2 Fe2 P6 -","- C258 H416 B4 Fe4 P12 -","2","0.5","","Lu, Connie C.; Saouma, Caroline T.; Day, Michael W.; Peters, Jonas C.","Fe(I)-mediated reductive cleavage and coupling of CO(2): an Fe(II)(mu-O, mu-CO)Fe(II) core.","Journal of the American Chemical Society","2007","129","1","4","5","10.1021/ja065524z","","","0.71073","MoKα","","0.1583","0.0774","","","0.141","0.1502","","","","","","2.077","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4101755","16.834","0.008","25.105","0.011","28.444","0.013","73.111","0.011","78.703","0.015","84.399","0.012","11269","9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C103 H178 B2 Fe2 O2 P6 -","- C103 H178 B2 Fe2 O2 P6 -","- C412 H712 B8 Fe8 O8 P24 -","4","2","","Lu, Connie C.; Saouma, Caroline T.; Day, Michael W.; Peters, Jonas C.","Fe(I)-mediated reductive cleavage and coupling of CO(2): an Fe(II)(mu-O, mu-CO)Fe(II) core.","Journal of the American Chemical Society","2007","129","1","4","5","10.1021/ja065524z","","","0.71073","MoKα","","0.3696","0.1564","","","0.1961","0.209","","","","","","1.481","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101756","15.138","0.0018","20.125","0.002","19.819","0.002","90","","110.896","0.002","90","","5640.8","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C123 H198 B2 Fe2 O4 P6 -","- C123 H198 B2 Fe2 O4 P6 -","- C246 H396 B4 Fe4 O8 P12 -","2","0.5","","Lu, Connie C.; Saouma, Caroline T.; Day, Michael W.; Peters, Jonas C.","Fe(I)-mediated reductive cleavage and coupling of CO(2): an Fe(II)(mu-O, mu-CO)Fe(II) core.","Journal of the American Chemical Society","2007","129","1","4","5","10.1021/ja065524z","","","0.71073","MoKα","","0.1306","0.0616","","","0.0938","0.1051","","","","","","1.312","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4101757","13.6402","0.0008","14.6845","0.0009","16.7752","0.001","71.35","0.003","89.149","0.003","62.553","0.003","2789.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H202 B2 Fe2 O6 P6 -","- C116 H202 B2 Fe2 O6 P6 -","- C116 H202 B2 Fe2 O6 P6 -","1","0.5","","Lu, Connie C.; Saouma, Caroline T.; Day, Michael W.; Peters, Jonas C.","Fe(I)-mediated reductive cleavage and coupling of CO(2): an Fe(II)(mu-O, mu-CO)Fe(II) core.","Journal of the American Chemical Society","2007","129","1","4","5","10.1021/ja065524z","","","0.71073","MoKα","","0.1128","0.0546","","","0.0886","0.097","","","","","","1.244","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101758","12.4947","0.0009","13.2846","0.0009","14.5047","0.0011","71.488","0.004","82.305","0.004","68.687","0.004","2126.4","0.3","150","","150","","","","","","","","C. Milios","5","P -1","-P 1","2","","","","- C40 H52 Mn3 N3 O13 -","- C40 H52 Mn3 N3 O13 -","- C80 H104 Mn6 N6 O26 -","2","1","","Milios, Constantinos J.; Vinslava, Alina; Wood, Peter A.; Parsons, Simon; Wernsdorfer, Wolfgang; Christou, George; Perlepes, Spyros P.; Brechin, Euan K.","A single-molecule magnet with a ""twist"".","Journal of the American Chemical Society","2007","129","1","8","9","10.1021/ja0666755","","","0.71073","MoKα","","0.0589","0.0339","","0.1033","0.0796","0.1033","","","","","","0.969","","","","has coordinates","264242","2021-04-16","08:51:38",""
"4101759","10.33","0.007","10.249","0.007","14.12","0.008","90","","95.595","0.014","90","","1487.8","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H21 B11 Si -","- C6 H21 B11 Si -","- C24 H84 B44 Si4 -","4","1","","Zhang, Jian; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Role of c,c'-linkage in the formation and stabilization of supercarboranes. Synthesis and structure of carbon-atoms-apart 13-vertex carborane and 14-vertex metallacarborane.","Journal of the American Chemical Society","2007","129","1","18","19","10.1021/ja067129e","","","0.71073","MoKα","","0.0893","0.051","","","0.1333","0.1654","","","","","","1.029","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101760","7.0551","0.0009","11.6875","0.0014","8.0262","0.001","90","","115.576","0.002","90","","596.96","0.13","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C4 H17 B11 -","- C4 H17 B11 -","- C8 H34 B22 -","2","0.5","","Zhang, Jian; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Role of c,c'-linkage in the formation and stabilization of supercarboranes. Synthesis and structure of carbon-atoms-apart 13-vertex carborane and 14-vertex metallacarborane.","Journal of the American Chemical Society","2007","129","1","18","19","10.1021/ja067129e","","","0.71073","MoKα","","0.0904","0.0724","","","0.2121","0.2415","","","","","","1.071","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101761","9.9962","0.0013","12.7008","0.0016","16.033","0.002","90","","90","","90","","2035.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H31 B11 Ru -","- C14 H31 B11 Ru -","- C56 H124 B44 Ru4 -","4","1","","Zhang, Jian; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Role of c,c'-linkage in the formation and stabilization of supercarboranes. Synthesis and structure of carbon-atoms-apart 13-vertex carborane and 14-vertex metallacarborane.","Journal of the American Chemical Society","2007","129","1","18","19","10.1021/ja067129e","","","0.71073","MoKα","","0.0306","0.0259","","","0.0605","0.0632","","","","","","1.088","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101762","25.348","0.0006","13.879","0.0004","23.199","0.0007","90","","114.679","0.001","90","","7416.1","0.4","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(1,2-dimethoxyethane)lithium(I) trans-1,1,4,4-tetrakis- [bis(trimethylsilyl)methyl]-1,4-diisopropyl-2-tetrasilene-2-yl-2-ide","","- C52 H127 Li O6 Si12 -","- C52 H127 Li O6 Si12 -","- C208 H508 Li4 O24 Si48 -","4","1","","Kinjo, Rei; Ichinohe, Masaaki; Sekiguchi, Akira","An isolable disilyne anion radical and a new route to the disilenide ion upon reduction of a disilyne.","Journal of the American Chemical Society","2007","129","1","26","27","10.1021/ja066762x","","","0.7107","MoKα","","0.0648","0.0494","","","0.1349","0.1456","","","","","","1.049","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101763","11.171","0.0008","22.179","0.0012","31.458","0.0019","90","","93.542","0.004","90","","7779.2","0.8","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]-1,4-diisopropyl- 2-tetrasilyne anion radical","","- C50 H130 K O8 Si12 -","- C50 H130 K O8 Si12 -","- C200 H520 K4 O32 Si48 -","4","1","","Kinjo, Rei; Ichinohe, Masaaki; Sekiguchi, Akira","An isolable disilyne anion radical and a new route to the disilenide ion upon reduction of a disilyne.","Journal of the American Chemical Society","2007","129","1","26","27","10.1021/ja066762x","","","0.7107","MoKα","","0.1229","0.0712","","","0.1798","0.2145","","","","","","0.984","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101764","63.105","0.009","15.236","0.003","21.642","0.003","90","","91.699","0.005","90","","20799","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C123.5 H100.5 N8.5 P6 Pd1.5 -","- C123.5 H97.5 N8.5 P6 Pd1.5 -","- C988 H780 N68 P48 Pd12 -","8","1","","Dobbs, Kerwin D; Marshall, William J; Grushin, Vladimir V","Why excess cyanide can be detrimental to Pd-catalyzed cyanation of haloarenes. Facile formation and characterization of [Pd(CN)(3)(H)](2-) and [Pd(CN)(3)(Ph)](2-).","Journal of the American Chemical Society","2007","129","1","30","31","10.1021/ja066931d","","","0.71073","MoKα","","0.1843","0.1043","","","0.2563","0.3089","","","","","","1.365","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101765","7.6669","0.0012","14.484","0.002","17.268","0.003","66.9","0.002","87.29","0.002","87.172","0.003","1760.9","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 I K N8 O6 -","- C32 H28 I K N8 O6 -","- C64 H56 I2 K2 N16 O12 -","2","1","","Berryman, Orion B.; Bryantsev, Vyacheslav S.; Stay, David P.; Johnson, Darren W.; Hay, Benjamin P.","Structural criteria for the design of anion receptors: the interaction of halides with electron-deficient arenes.","Journal of the American Chemical Society","2007","129","1","48","58","10.1021/ja063460m","","","0.71073","MoKα","","0.0617","0.0457","","","0.0878","0.0986","","","","","","1.095","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101766","16.976","0.004","7.5295","0.0019","27.347","0.007","90","","102.415","0.005","90","","3413.8","1.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Br K N8 O6 -","- C32 H28 Br K N8 O6 -","- C128 H112 Br4 K4 N32 O24 -","4","1","","Berryman, Orion B; Bryantsev, Vyacheslav S; Stay, David P; Johnson, Darren W; Hay, Benjamin P","Structural criteria for the design of anion receptors: the interaction of halides with electron-deficient arenes.","Journal of the American Chemical Society","2007","129","1","48","58","10.1021/ja063460m","","","0.71073","MoKα","","0.1294","0.062","","","0.1039","0.1323","","","","","","0.996","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101767","7.5556","0.0009","14.2604","0.0017","17.523","0.003","66.019","0.002","89.215","0.003","86.695","0.002","1722.1","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 I N8 Na O6 -","- C32 H28 I N8 Na O6 -","- C64 H56 I2 N16 Na2 O12 -","2","1","","Berryman, Orion B; Bryantsev, Vyacheslav S; Stay, David P; Johnson, Darren W; Hay, Benjamin P","Structural criteria for the design of anion receptors: the interaction of halides with electron-deficient arenes.","Journal of the American Chemical Society","2007","129","1","48","58","10.1021/ja063460m","","","0.71073","MoKα","","0.0557","0.0403","","","0.0745","0.0846","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101768","28.793","0.0014","16.7444","0.0008","29.2296","0.0014","90","","116.024","0.001","90","","12663.4","1.1","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C76 H160 K4 N12 Ni2 O24 Sn17 -","- C76 H159.98 K4 N12 Ni2 O24 Sn17 -","- C304 H639.92 K16 N48 Ni8 O96 Sn68 -","4","0.5","","Esenturk, Emren N; Fettinger, James C; Eichhorn, Bryan W","Synthesis, structure, and dynamic properties of [Ni2Sn17]4-.","Journal of the American Chemical Society","2006","128","1","12","13","10.1021/ja055379+","","","0.71073","MoKα","","0.0271","0.0223","","","0.0543","0.0563","","","","","","1.072","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101769","28.302","0.0004","18.3435","0.0002","18.0349","0.0002","90","","106.193","0.001","90","","8991.51","0.19","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C93 H124 B2 Cl6 Fe2 N8 S2 -","- C93 H124 B2 Cl6 Fe2 N8 S2 -","- C372 H496 B8 Cl24 Fe8 N32 S8 -","4","1","","Frances Namuswe; Takahiro Hayashi; Yunbo Jiang; Gary D. Kasper; Amy A. Narducci Sarjeant; Pierre Moënne-Loccoz; David P. Goldberg","Influence of the Nitrogen Donors on Nonheme Iron Models of Superoxide Reductase: High-Spin FeIII-OOR Complexes","Journal of the American Chemical Society","2010","132","","157","167","10.1021/ja904818z","","","0.71073","MoKα","","0.085","0.061","","","0.1353","0.1449","","","","","","1.047","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101770","18.431","0.005","21.805","0.006","12.751","0.004","90","","102.806","0.004","90","","4997","2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H76 Cl2 N2 O6 Pd -","- C51 H76 Cl2 N2 O6 Pd -","- C204 H304 Cl8 N8 O24 Pd4 -","4","1","","Stephen M. Goldup; David A. Leigh; Paul R. McGonigal; Vicki E. Ronaldson; Alexandra M. Z. Slawin","Two Axles Threaded Using a Single Template Site: Active Metal Template Macrobicyclic [3]Rotaxanes","Journal of the American Chemical Society","2010","132","","315","320","10.1021/ja9080716","","","0.71073","MoKα","","0.0928","0.0855","","","0.2288","0.2379","","","","","","1.07","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101771","12.245","0.003","14.106","0.003","15.104","0.003","63.58","0.03","78.33","0.03","66.59","0.03","2143.1","1.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","[Rh((C6H4)PPh2)(trop2PPh)]","","","- C112 H92 O P4 Rh2 -","- C114.465 H82 P4 Rh2 -","- C114.465 H82 P4 Rh2 -","1","0.5","","Florian F. Puschmann; Hansjörg Grützmacher; Bas de Bruin","Rhodium(0) Metalloradicals in Binuclear C-H Activation","Journal of the American Chemical Society","2010","132","","73","75","10.1021/ja909022p","","","0.7107","MoKα","","0.0493","0.0392","","","0.0814","0.0857","","","","","","0.99","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101772","10.6562","0.0004","9.0426","0.0004","25.5092","0.0011","90","","95.246","0.002","90","","2447.76","0.18","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H64 Br4 F6 P2 Pd2 -","- C38 H64 Br4 F6 P2 Pd2 -","- C76 H128 Br8 F12 P4 Pd4 -","2","0.5","","Brad P. Carrow; John. F. Hartwig","Ligandless, Anionic, Arylpalladium Halide Intermediates in the Heck Reaction","Journal of the American Chemical Society","2010","132","","79","81","10.1021/ja909306f","","","0.71073","MoKα","","0.092","0.0407","","","0.0857","0.104","","","","","","1.013","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101773","9.527","0.002","19.163","0.004","12.549","0.003","90","","110.754","0.003","90","","2142.4","0.8","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H66 Br4 P2 Pd2 -","- C36 H66 Br4 P2 Pd2 -","- C72 H132 Br8 P4 Pd4 -","2","1","","Brad P. Carrow; John. F. Hartwig","Ligandless, Anionic, Arylpalladium Halide Intermediates in the Heck Reaction","Journal of the American Chemical Society","2010","132","","79","81","10.1021/ja909306f","","","0.71073","MoKα","","0.0553","0.033","","","0.0613","0.0667","","","","","","0.984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101774","31.4372","0.0006","20.4126","0.0004","20.8384","0.0003","90","","96.0642","0.0019","90","","13297.5","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H99 K N3 O10 U -","- C65 H99 K N3 O10 U -","- C520 H792 K8 N24 O80 U8 -","8","1","","Grégory Nocton; Pawel Horeglad; Valentina Vetere; Jacques Pécaut; Lionel Dubois; Pascale Maldivi; Norman M. Edelstein; Marinella Mazzanti","Synthesis, Structure, and Bonding of Stable Complexes of Pentavalent Uranyl","Journal of the American Chemical Society","2010","132","","495","508","10.1021/ja9037164","","","0.71073","MoKα","","0.0585","0.032","","","0.0695","0.0727","","","","","","0.919","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101775","11.85","0.002","13.9279","0.0012","26.375","0.005","82.17","0.01","84.019","0.014","69.999","0.012","4044.6","1.1","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H109 Co N7 O4 U -","- C79 H109 Co N7 O4 U -","- C158 H218 Co2 N14 O8 U2 -","2","1","","Grégory Nocton; Pawel Horeglad; Valentina Vetere; Jacques Pécaut; Lionel Dubois; Pascale Maldivi; Norman M. Edelstein; Marinella Mazzanti","Synthesis, Structure, and Bonding of Stable Complexes of Pentavalent Uranyl","Journal of the American Chemical Society","2010","132","","495","508","10.1021/ja9037164","","","0.71073","MoKα","","0.1599","0.0918","","","0.1974","0.2301","","","","","","0.955","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101776","17.4608","0.00019","21.55872","0.00018","15.06929","0.00015","90","","112.941","0.0012","90","","5223.9","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H78 K N2 O8 U -","- C52 H78 K N2 O8 U -","- C208 H312 K4 N8 O32 U4 -","4","1","","Grégory Nocton; Pawel Horeglad; Valentina Vetere; Jacques Pécaut; Lionel Dubois; Pascale Maldivi; Norman M. Edelstein; Marinella Mazzanti","Synthesis, Structure, and Bonding of Stable Complexes of Pentavalent Uranyl","Journal of the American Chemical Society","2010","132","","495","508","10.1021/ja9037164","","","0.71073","MoKα","","0.0444","0.0257","","","0.0532","0.0551","","","","","","0.882","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101777","12.83","0.003","14.283","0.003","16.894","0.005","90.61","0.02","104.71","0.02","116.42","0.01","2654.2","1.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H38 Cl3 N6 Na O12 Ru Se4 -","- C48 H38 Cl3 N6 Na O12 Ru Se4 -","- C96 H76 Cl6 N12 Na2 O24 Ru2 Se8 -","2","1","","Alexander Laskavy; Linda J. W. Shimon; Leonid Konstantinovski; Mark A. Iron; Ronny Neumann","Activation of Molecular Oxygen by a Dioxygenase Pathway by a Ruthenium Bis-bipyridine Compound with a Proximal Selenium Site","Journal of the American Chemical Society","2010","132","","517","523","10.1021/ja9047027","","","0.71073","MoKα","","0.0877","0.058","","","0.143","0.1542","","","","","","1.038","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101778","21.8438","0.0004","21.8438","0.0004","21.8438","0.0004","99.34","","99.34","","99.34","","9956","0.3","100","2","100","2","","","","","","","","9","R -3 :R","-P 3*","148","","","","- C293 H221 Cl93 F36 N24 O12 P6 Ru6 Se24 -","- C293 H221 Cl93 F36 N24 O12 P6 Ru6 Se24 -","- C293 H221 Cl93 F36 N24 O12 P6 Ru6 Se24 -","1","0.166667","","Alexander Laskavy; Linda J. W. Shimon; Leonid Konstantinovski; Mark A. Iron; Ronny Neumann","Activation of Molecular Oxygen by a Dioxygenase Pathway by a Ruthenium Bis-bipyridine Compound with a Proximal Selenium Site","Journal of the American Chemical Society","2010","132","","517","523","10.1021/ja9047027","","","0.71073","MoKα","","0.1121","0.0591","","","0.1525","0.1984","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101779","21.3422","0.0003","13.3525","0.0002","19.5085","0.0003","90","","102.279","0.001","90","","5432.19","0.14","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 Cl2 N5 O10 Zn -","- C22 H25 Cl2 N5 O10 Zn -","- C176 H200 Cl16 N40 O80 Zn8 -","8","1","","Zhaochao Xu; Kyung-Hwa Baek; Ha Na Kim; Jingnan Cui; Xuhong Qian; David R. Spring; Injae Shin; Juyoung Yoon","Zn2±Triggered Amide Tautomerization Produces a Highly Zn2±Selective, Cell-Permeable, and Ratiometric Fluorescent Sensor","Journal of the American Chemical Society","2010","132","","601","610","10.1021/ja907334j","","","0.71073","MoKα","","0.0621","0.0438","","","0.1009","0.112","","","","","","1.039","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101780","10.5185","0.0004","10.3824","0.0005","31.1766","0.0014","90","","90.055","0.001","90","","3404.7","0.3","243","2","243","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 B Hg N7 O S4 -","- C29 H42 B Hg N7 O S4 -","- C116 H168 B4 Hg4 N28 O4 S16 -","4","1","","Jonathan G. Melnick; Kevin Yurkerwich; Gerard Parkin","On the Chalcogenophilicity of Mercury: Evidence for a Strong Hg-Se Bond in [TmBut]HgSePh and Its Relevance to the Toxicity of Mercury","Journal of the American Chemical Society","2010","132","","647","655","10.1021/ja907523x","","","0.71073","MoKα","","0.0434","0.0258","","","0.0626","0.0765","","","","","","1.036","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101781","9.4951","0.0007","32.986","0.003","10.4048","0.0008","90","","110.762","0.001","90","","3047.2","0.4","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 B Cl3 Hg N6 S3 -","- C22 H36 B Cl3 Hg N6 S3 -","- C88 H144 B4 Cl12 Hg4 N24 S12 -","4","1","","Jonathan G. Melnick; Kevin Yurkerwich; Gerard Parkin","On the Chalcogenophilicity of Mercury: Evidence for a Strong Hg-Se Bond in [TmBut]HgSePh and Its Relevance to the Toxicity of Mercury","Journal of the American Chemical Society","2010","132","","647","655","10.1021/ja907523x","","","0.71073","MoKα","","0.0711","0.041","","","0.0921","0.1018","","","","","","1.038","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101782","20.755","0.005","32.173","0.008","10.741","0.003","90","","101.385","0.004","90","","7031","3","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 B Hg N6 S3 Te -","- C30 H42 B Hg N6 S3 Te -","- C240 H336 B8 Hg8 N48 S24 Te8 -","8","2","","Jonathan G. Melnick; Kevin Yurkerwich; Gerard Parkin","On the Chalcogenophilicity of Mercury: Evidence for a Strong Hg-Se Bond in [TmBut]HgSePh and Its Relevance to the Toxicity of Mercury","Journal of the American Chemical Society","2010","132","","647","655","10.1021/ja907523x","","","0.71073","MoKα","","0.0918","0.0531","","","0.1391","0.1576","","","","","","1.094","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101783","10.4452","0.0005","32.4688","0.0015","10.6341","0.0005","90","","113.759","0.001","90","","3300.8","0.3","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 B Hg N6 S3 Se -","- C27 H39 B Hg N6 S3 Se -","- C108 H156 B4 Hg4 N24 S12 Se4 -","4","1","","Jonathan G. Melnick; Kevin Yurkerwich; Gerard Parkin","On the Chalcogenophilicity of Mercury: Evidence for a Strong Hg-Se Bond in [TmBut]HgSePh and Its Relevance to the Toxicity of Mercury","Journal of the American Chemical Society","2010","132","","647","655","10.1021/ja907523x","","","0.71073","MoKα","","0.0427","0.0268","","","0.054","0.0582","","","","","","1.025","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101784","10.235","0.003","32.516","0.009","10.447","0.003","90","","112.271","0.004","90","","3217.4","1.6","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 B Hg N6 S4 -","- C27 H39 B Hg N6 S4 -","- C108 H156 B4 Hg4 N24 S16 -","4","1","","Jonathan G. Melnick; Kevin Yurkerwich; Gerard Parkin","On the Chalcogenophilicity of Mercury: Evidence for a Strong Hg-Se Bond in [TmBut]HgSePh and Its Relevance to the Toxicity of Mercury","Journal of the American Chemical Society","2010","132","","647","655","10.1021/ja907523x","","","0.71073","MoKα","","0.1212","0.0489","","","0.0729","0.0882","","","","","","1.02","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101785","57.31","0.02","7.522","0.003","18.203","0.007","90","","98.1","0.006","90","","7769","5","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H22 N O5 Pd S -","- C19 H22 N O5 Pd S -","- C304 H352 N16 O80 Pd16 S16 -","16","4","","Ramesh Giri; Jonathan K. Lam; Jin-Quan Yu","Synthetic Applications of Pd(II)-Catalyzed C-H Carboxylation and Mechanistic Insights: Expedient Routes to Anthranilic Acids, Oxazolinones, and Quinazolinones","Journal of the American Chemical Society","2010","132","","686","693","10.1021/ja9077705","","","0.71073","MoKα","","0.0403","0.0385","","","0.1","0.1016","","","","","","1.05","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4101786","10.6326","0.0009","5.7924","0.0005","15.5841","0.0014","90","","107.396","0.006","90","","915.9","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C44 H46 N2 O6 -","2","1","","Yajing Lian; Huw M. L. Davies","Rhodium-Catalyzed [3 + 2] Annulation of Indoles","Journal of the American Chemical Society","2010","132","","440","441","10.1021/ja9078094","","","1.54178","CuKα","","0.0589","0.0313","","","0.0866","0.1062","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101787","10.3908","0.0018","8.4201","0.0016","12.468","0.002","90","","105.207","0.006","90","","1052.6","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 Br N O2 -","- C25 H22 Br N O2 -","- C50 H44 Br2 N2 O4 -","2","1","","Yajing Lian; Huw M. L. Davies","Rhodium-Catalyzed [3 + 2] Annulation of Indoles","Journal of the American Chemical Society","2010","132","","440","441","10.1021/ja9078094","","","1.54178","CuKα","","0.0545","0.0422","","","0.1257","0.1616","","","","","","1.148","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101788","8.4016","0.0008","12.9089","0.0014","18.1051","0.0016","90","","90","","90","","1963.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C100 H92 N4 O8 -","4","1","","Yajing Lian; Huw M. L. Davies","Rhodium-Catalyzed [3 + 2] Annulation of Indoles","Journal of the American Chemical Society","2010","132","","440","441","10.1021/ja9078094","","","1.54178","CuKα","","0.1234","0.0798","","","0.2193","0.2789","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101789","15.453","0.002","16.161","0.002","24.311","0.003","76.646","0.002","86.741","0.002","67.404","0.002","5450.3","1.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C136 H115 B4 O18 -","- C136 H115 B4 O18 -","- C272 H230 B8 O36 -","2","1","","Naoki Nishimura; Kenji Yoza; Kenji Kobayashi","Guest-Encapsulation Properties of a Self-Assembled Capsule by Dynamic Boronic Ester Bonds","Journal of the American Chemical Society","2010","132","","777","790","10.1021/ja9084918","","","0.71073","MoKα","","0.1486","0.0867","","","0.2146","0.2622","","","","","","1.034","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101790","5.5536","0.0001","8.6287","0.0002","42.4623","0.0007","90","","90","","90","","2034.81","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Br O5 -","- C23 H21 Br O5 -","- C92 H84 Br4 O20 -","4","1","","Sheng Cui; Shawn D. Walker; Jacqueline C. S. Woo; Christopher J. Borths; Herschel Mukherjee; Maosheng J. Chen; Margaret M. Faul","Practical Asymmetric Conjugate Alkynylation of Meldrum's Acid-Derived Acceptors: Access to Chiral β-Alkynyl Acids","Journal of the American Chemical Society","2010","132","","436","437","10.1021/ja909105s","","x-ray","1.54178","CuKα","","0.0477","0.0408","","","0.0964","0.0996","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101791","12.9099","0.0015","16.726","0.002","17.744","0.002","90","","100.233","0.002","90","","3770.5","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H49 B2 F4 N6 O2 Os P -","- C32 H49 B2 F4 N6 O2 Os P -","- C128 H196 B8 F16 N24 O8 Os4 P4 -","4","1","","Ruth Castro-Rodrigo; Miguel A. Esteruelas; Ana M. López; Fernando López; José L. Mascareñas; Montserrat Oliván; Enrique Oñate; Lucía Saya; Lara Villarino","Cleavage of Both C(sp3)-C(sp2) Bonds of Alkylidenecyclopropanes: Formation of Ethylene-Osmium-Vinylidene Complexes","Journal of the American Chemical Society","2010","132","","454","455","10.1021/ja909240q","","","0.71073","MoKα","","0.0504","0.0384","","","0.0808","0.0849","","","","","","1.042","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101792","13.194","0.0012","13.2046","0.0012","17.0692","0.0015","92.519","0.002","96.857","0.002","118.83","0.001","2568.9","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H71 B2 N6 O Os P -","- C56 H71 B2 N6 O Os P -","- C112 H142 B4 N12 O2 Os2 P2 -","2","1","","Ruth Castro-Rodrigo; Miguel A. Esteruelas; Ana M. López; Fernando López; José L. Mascareñas; Montserrat Oliván; Enrique Oñate; Lucía Saya; Lara Villarino","Cleavage of Both C(sp3)-C(sp2) Bonds of Alkylidenecyclopropanes: Formation of Ethylene-Osmium-Vinylidene Complexes","Journal of the American Chemical Society","2010","132","","454","455","10.1021/ja909240q","","","0.71073","MoKα","","0.0416","0.0351","","","0.0742","0.077","","","","","","1.048","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101793","10.832","0.003","16.129","0.005","16.28","0.005","90","","97.185","0.005","90","","2821.9","1.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H41 B2 F4 N6 O Os P -","- C23 H41 B2 F4 N6 O Os P -","- C92 H164 B8 F16 N24 O4 Os4 P4 -","4","1","","Ruth Castro-Rodrigo; Miguel A. Esteruelas; Ana M. López; Fernando López; José L. Mascareñas; Montserrat Oliván; Enrique Oñate; Lucía Saya; Lara Villarino","Cleavage of Both C(sp3)-C(sp2) Bonds of Alkylidenecyclopropanes: Formation of Ethylene-Osmium-Vinylidene Complexes","Journal of the American Chemical Society","2010","132","","454","455","10.1021/ja909240q","","","0.71073","MoKα","","0.0517","0.0298","","","0.0485","0.0514","","","","","","0.838","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101794","30.984","0.003","7.2879","0.0006","21.4868","0.0011","90","","104.397","0.005","90","","4699.5","0.7","100","2","100","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","[Au2Ag2(p-C6F4I)4(OCMe2)2] (acet/hex)","","","- C36 H24 Ag2 Au2 F16 I4 O4 -","- C36 H24 Ag2 Au2 F16 I4 O4 -","- C144 H96 Ag8 Au8 F64 I16 O16 -","4","0.5","","Antonio Laguna; Tania Lasanta; José M. López-de-Luzuriaga; Miguel Monge; Panče Naumov; M. Elena Olmos","Combining Aurophilic Interactions and Halogen Bonding To Control the Luminescence from Bimetallic Gold-Silver Clusters","Journal of the American Chemical Society","2010","132","","456","457","10.1021/ja909241m","","x-ray","0.71073","MoKα","","0.1409","0.0678","","","0.1609","0.2026","","","","","","0.979","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101795","13.678","0.0004","7.6814","0.0003","17.4676","0.0005","90","","109.807","0.0019","90","","1726.68","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Au F5 N -","- C19 H11 Au F5 N -","- C76 H44 Au4 F20 N4 -","4","1","","Antonio Laguna; Tania Lasanta; José M. López-de-Luzuriaga; Miguel Monge; Panče Naumov; M. Elena Olmos","Combining Aurophilic Interactions and Halogen Bonding To Control the Luminescence from Bimetallic Gold-Silver Clusters","Journal of the American Chemical Society","2010","132","","456","457","10.1021/ja909241m","","","0.7107","MoKα","","0.0487","0.0339","","","0.08","0.0865","","","","","","1.084","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101796","46.2308","0.0011","14.7634","0.0006","31.4991","0.0011","90","","122.483","0.002","90","","18135.4","1.1","120","2","120","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","TLC134 thf/hx","","","- C34 H20 Ag2 Au2 F16 I4 O3 -","- C34 H20 Ag2 Au2 F16 I4 O3 -","- C544 H320 Ag32 Au32 F256 I64 O48 -","16","2","","Antonio Laguna; Tania Lasanta; José M. López-de-Luzuriaga; Miguel Monge; Panče Naumov; M. Elena Olmos","Combining Aurophilic Interactions and Halogen Bonding To Control the Luminescence from Bimetallic Gold-Silver Clusters","Journal of the American Chemical Society","2010","132","","456","457","10.1021/ja909241m","","x-ray","0.71073","MoKα","","0.1641","0.077","","","0.1591","0.1968","","","","","","1.01","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101797","10.1196","0.0004","10.5757","0.0006","10.6529","0.0006","65.682","0.002","72.493","0.003","84.767","0.003","990.11","0.09","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C32 H16 Ag2 Au2 F16 I4 O2 -","- C32 H16 Ag2 Au2 F16 I4 O2 -","- C32 H16 Ag2 Au2 F16 I4 O2 -","1","0.5","","Antonio Laguna; Tania Lasanta; José M. López-de-Luzuriaga; Miguel Monge; Panče Naumov; M. Elena Olmos","Combining Aurophilic Interactions and Halogen Bonding To Control the Luminescence from Bimetallic Gold-Silver Clusters","Journal of the American Chemical Society","2010","132","","456","457","10.1021/ja909241m","","x-ray","0.71073","MoKα","","0.0346","0.0318","","","0.0783","0.0798","","","","","","1.12","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101798","17.4331","0.0005","15.6926","0.0005","14.7773","0.0004","90","","109.09","0.001","90","","3820.3","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H6 Ag2 Au2 F16 I4 N2 -","- C28 H6 Ag2 Au2 F16 I4 N2 -","- C112 H24 Ag8 Au8 F64 I16 N8 -","4","0.5","","Antonio Laguna; Tania Lasanta; José M. López-de-Luzuriaga; Miguel Monge; Panče Naumov; M. Elena Olmos","Combining Aurophilic Interactions and Halogen Bonding To Control the Luminescence from Bimetallic Gold-Silver Clusters","Journal of the American Chemical Society","2010","132","","456","457","10.1021/ja909241m","","","0.71073","MoKα","","0.0367","0.0323","","","0.0822","0.0854","","","","","","1.057","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101799","8.9623","0.0006","17.635","0.0013","12.5098","0.0008","90","","105.836","0.004","90","","1902.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl O2 -","- C23 H19 Cl O2 -","- C92 H76 Cl4 O8 -","4","2","","Bing-Feng Shi; Yang-Hui Zhang; Jonathan K. Lam; Dong-Hui Wang; Jin-Quan Yu","Pd(II)-Catalyzed Enantioselective C-H Olefination of Diphenylacetic Acids","Journal of the American Chemical Society","2010","132","","460","461","10.1021/ja909571z","","","1.54178","CuKα","","0.0369","0.0331","","","0.075","0.0836","","","","","","1.054","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101800","8.7295","0.0003","9.1322","0.0004","15.4663","0.0006","90","","90","","90","","1232.97","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Paula Álvarez-Bercedo; Areli Flores-Gaspar; Arkaitz Correa; Ruben Martin","Pd-Catalyzed Intramolecular Acylation of Aryl Bromides via C-H Functionalization: A Highly Efficient Synthesis of Benzocyclobutenones","Journal of the American Chemical Society","2010","132","","466","467","10.1021/ja909811t","","","0.71073","MoKα","","0.0495","0.0439","","","0.1109","0.1146","","","","","","1.072","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4101801","19.336","0.02","37.32","0.03","27.17","0.03","90","","100.48","0.04","90","","19279","3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122.5 H120 N35.5 O45 Pd6 -","- C122.484 H120 N35.5 O44.998 Pd6 -","- C489.936 H480 N142 O179.992 Pd24 -","4","1","","Yoshihiro Yamauchi; Michito Yoshizawa; Munetaka Akita; Makoto Fujita","Engineering Double to Quintuple Stacks of a Polarized Aromatic in Confined Cavities","Journal of the American Chemical Society","2010","132","","960","966","10.1021/ja904063r","","","0.71073","MoKα","","0.4192","0.1887","","","0.4415","0.5792","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101802","9.0402","0.0004","9.0402","0.0004","25.26","0.003","90","","90","","90","","2064.4","0.3","298","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","1","","","- C20 H16 S4 Si2 -","- C20 H16 S4 Si2 -","- C80 H64 S16 Si8 -","4","0.5","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.0296","0.028","","","0.0709","0.0727","","","","","","1.051","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101803","19.715","","3.902","","17.846","","90","","90","","90","","1372.86","","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","2a","","","- C16 H4 S6 -","- C20.1333 H4.73333 S7.89333 -","- C60.4 H14.2 S23.68 -","3","0.75","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.0454","0.0402","","","0.1115","0.1168","","","","","","0.922","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101804","16.522","0.002","6.2465","0.0008","16.655","0.002","90","","101.261","0.003","90","","1685.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2b","","","- C28 H36 S6 Si4 -","- C28 H36 S6 Si4 -","- C56 H72 S12 Si8 -","2","0.5","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.045","0.0364","","","0.1007","0.1164","","","","","","1.169","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101805","6.4045","0.0019","10.484","0.003","26.798","0.008","90","","90.94","0.005","90","","1799.1","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3b","","","- C28 H36 O4 S6 Si4 -","- C28 H36 O4 S6 Si4 -","- C56 H72 O8 S12 Si8 -","2","0.5","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.0654","0.0482","","","0.1122","0.1289","","","","","","1.193","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101806","13.186","0.003","12.994","0.003","6.7057","0.0014","90","","90","","90","","1148.9","0.4","298","2","298","2","","","","","","","","4","C m c 21","C 2c -2","36","5","","","- C10 H10 S2 Si -","- C10 H10 S2 Si -","- C40 H40 S8 Si4 -","4","0.5","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.0284","0.0276","","","0.0702","0.0725","","","","","","1.115","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101807","9.037","0.004","5.959","0.002","15.129","0.006","90","","97.172","0.006","90","","808.3","0.6","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7","","","- C8 H4 S3 -","- C8 H4 S3 -","- C32 H16 S12 -","4","1","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.0396","0.0336","","","0.084","0.09","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101808","7.5141","0.0013","7.8398","0.0014","15.087","0.003","90","","92.208","0.003","90","","888.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","9","","","- C8 H4 O2 S3 -","- C8 H4 O2 S3 -","- C32 H16 O8 S12 -","4","1","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.0497","0.0382","","","0.0916","0.1173","","","","","","1.162","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101809","12.2403","0.0008","15.7531","0.0011","16.6894","0.0011","90","","90","","90","","3218.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-D-Pro-Aib-Ala-Aib-Val-OMe","t-Butyloxycarbonyl-D-prolyl-alpha-aminoisobutyryl-alanyl -alpha-aminoisobutyryl-valyl-methyl ester","","- C27 H47 N5 O8 -","- C27 H47 N5 O8 -","- C108 H188 N20 O32 -","4","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.0501","0.0439","","","0.1249","0.1313","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101810","10.3268","0.0008","18.7549","0.0015","18.9682","0.0016","90","","90","","90","","3673.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-D-Pro-Aib-Phe-Aib-Val-OMe","t-Butyloxycarbonyl-D-prolyl-alpha-aminoisobutyryl-phenylalanyl -alpha-aminoisobutyryl-valyl-methyl ester","","- C33 H51 N5 O8 -","- C33 H51 N5 O8 -","- C132 H204 N20 O32 -","4","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.0582","0.0472","","","0.1325","0.1418","","","","","","1.101","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101811","12.2528","0.0012","15.7498","0.0016","16.6866","0.0016","90","","90","","90","","3220.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Pro-Aib-D-Ala-Aib-D-Val-OMe","t-Butyloxycarbonyl-prolyl-alpha-aminoisobutyryl -D-alanyl-alpha-aminoisobutyryl-D-valyl-methyl ester","","- C27 H47 N5 O8 -","- C27 H47 N5 O8 -","- C108 H188 N20 O32 -","4","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.059","0.0473","","","0.1278","0.138","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101812","10.3354","0.0005","18.7733","0.001","18.982","0.001","90","","90","","90","","3683.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Pro-Aib-D-Phe-Aib-D-Val-OMe","t-Butyloxycarbonyl-prolyl-alpha-aminoisobutyryl -D-phenylalanyl-alpha-aminoisobutyryl-D-valyl-methyl ester","","- C33 H51 N5 O8 -","- C33 H51 N5 O8 -","- C132 H204 N20 O32 -","4","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.0612","0.051","","","0.1526","0.1638","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101813","24.4102","0.0008","24.4102","0.0008","10.6627","0.0007","90","","90","","120","","5502.3","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Boc-Pro-Aib-D-Leu-Aib-D-Val-OMe","t-Butyloxycarbonyl-prolyl-alpha-aminoisobutyryl -D-leucyl-alpha-aminoisobutyryl-D-valyl-methyl ester","","- C30 H53 N5 O8 -","- C30 H53 N5 O8 -","- C180 H318 N30 O48 -","6","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.0668","0.0543","","","0.1495","0.1605","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101814","24.3645","0.0014","24.3645","0.0014","10.4875","0.0014","90","","90","","120","","5391.6","0.8","293","2","293","2","","","","","","","","4","P 61","P 61","169","Boc-Pro-Aib-D-Val-Aib-D-Val-OMe","t-Butyloxycarbonyl-prolyl-alpha-aminoisobutyryl -D-valyl-alpha-aminoisobutyryl-D-valyl-methyl ester","","- C29 H51 N5 O8.17 -","- C29 H51 N5 O8.17 -","- C174 H306 N30 O49.02 -","6","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.1936","0.0745","","","0.181","0.2426","","","","","","0.934","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101815","20.728","0.004","9.1079","0.0015","19.573","0.003","90","","94.207","0.003","90","","3685.2","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Boc-Pro-Aib-D-Val-Aib-D-Val-OMe","t-Butyloxycarbonyl-prolyl-alpha-aminoisobutyryl-D-valyl -alpha-aminoisobutyryl-D-valyl-methyl ester","","- C29 H51 N5 O10 -","- C29 H51 N5 O10 -","- C116 H204 N20 O40 -","4","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.0774","0.0672","","","0.1784","0.1897","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101816","14.438","0.003","18.437","0.004","12.997","0.003","90","","90","","90","","3459.7","1.3","123","2","123.15","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C9.6 H8 B0.8 Co0.4 Fe0.8 N7.2 -","- C9.6 H8 B0.8 Co0.4 Fe0.8 N7.2 -","- C96 H80 B8 Co4 Fe8 N72 -","10","0.625","","Yan-Juan Zhang; Tao Liu; Shinji Kanegawa; Osamu Sato","Interconversion between a Nonporous Nanocluster and a Microporous Coordination Polymer Showing Selective Gas Adsorption","Journal of the American Chemical Society","2010","132","","912","913","10.1021/ja908670u","","","0.71073","MoKα","","0.1091","0.1089","","","0.2007","0.2007","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101817","19.978","0.005","13.293","0.003","33.001","0.008","90","","91.007","0.002","90","","8763","4","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H92 F12 N18 O14 P2 -","- C100 H118 F14 N12 O18 P2 -","- C400 H472 F56 N48 O72 P8 -","4","0.5","","Dennis Cao; Matteo Amelia; Liana M. Klivansky; Gayane Koshkakaryan; Saeed I. Khan; Monica Semeraro; Serena Silvi; Margherita Venturi; Alberto Credi; Yi Liu","Probing Donor-Acceptor Interactions and Co-Conformational Changes in Redox Active Desymmetrized [2]Catenanes","Journal of the American Chemical Society","2010","132","","1110","1122","10.1021/ja909041g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101818","13.604","0.003","27.331","0.007","22.298","0.006","90","","91.513","0.005","90","","8288","4","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H82 F12 N8 O14 P2 S4 -","- C78 H82 F16 N8 O14 P2 S4 -","- C312 H328 F64 N32 O56 P8 S16 -","4","1","","Dennis Cao; Matteo Amelia; Liana M. Klivansky; Gayane Koshkakaryan; Saeed I. Khan; Monica Semeraro; Serena Silvi; Margherita Venturi; Alberto Credi; Yi Liu","Probing Donor-Acceptor Interactions and Co-Conformational Changes in Redox Active Desymmetrized [2]Catenanes","Journal of the American Chemical Society","2010","132","","1110","1122","10.1021/ja909041g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101819","27.177","0.004","21.223","0.003","27.88","0.004","90","","90","","90","","16081","4","","","","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C82 H84 F12 N8 O14 P2 S4 -","- C107 H119 F12 N9.5 O19 P2 S4 -","- C856 H952 F96 N76 O152 P16 S32 -","8","1","","Dennis Cao; Matteo Amelia; Liana M. Klivansky; Gayane Koshkakaryan; Saeed I. Khan; Monica Semeraro; Serena Silvi; Margherita Venturi; Alberto Credi; Yi Liu","Probing Donor-Acceptor Interactions and Co-Conformational Changes in Redox Active Desymmetrized [2]Catenanes","Journal of the American Chemical Society","2010","132","","1110","1122","10.1021/ja909041g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101820","13.183","0.0004","13.2275","0.0004","24.4548","0.0008","90","","94.501","0.001","90","","4251.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Cl2 N4 Si2 -","- C44 H56 Cl2 N4 Si2 -","- C176 H224 Cl8 N16 Si8 -","4","1","","Sakya S. Sen; Herbert W. Roesky; Daniel Stern; Julian Henn; Dietmar Stalke","High Yield Access to Silylene RSiCl (R = PhC(NtBu)2) and Its Reactivity toward Alkyne: Synthesis of Stable Disilacyclobutene","Journal of the American Chemical Society","2010","132","","1123","1126","10.1021/ja9091374","","","0.71073","MoKα","","0.058","0.0479","","","0.133","0.1388","","","","","","1.13","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101821","18.4","0.02","6.935","0.007","11.075","0.011","90","","90","","90","","1413","3","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H4 Cl Fe O5 -","- C8 Cl Fe O5 -","- C32 Cl4 Fe4 O20 -","4","0.25","","Thomas Devic; Patricia Horcajada; Christian Serre; Fabrice Salles; Guillaume Maurin; Béatrice Moulin; Daniela Heurtaux; Guillaume Clet; Alexandre Vimont; Jean-Marc Grenèche; Benjamin Le Ouay; Florian Moreau; Emmanuel Magnier; Yaroslav Filinchuk; Jerôme Marrot; Jean-Claude Lavalley; Marco Daturi; Gérard Férey","Functionalization in Flexible Porous Solids: Effects on the Pore Opening and the Host-Guest Interactions","Journal of the American Chemical Society","2010","132","","1127","1136","10.1021/ja9092715","","","0.71073","MoKα","","0.1781","0.1077","","","0.254","0.2881","","","","","","1.019","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101822","17.841","0.004","6.8729","0.0015","11.839","0.003","90","","90","","90","","1451.7","0.6","293","2","293","2","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 H5 Fe O7 -","- C8 Fe O7 -","- C32 Fe4 O28 -","4","0.25","","Thomas Devic; Patricia Horcajada; Christian Serre; Fabrice Salles; Guillaume Maurin; Béatrice Moulin; Daniela Heurtaux; Guillaume Clet; Alexandre Vimont; Jean-Marc Grenèche; Benjamin Le Ouay; Florian Moreau; Emmanuel Magnier; Yaroslav Filinchuk; Jerôme Marrot; Jean-Claude Lavalley; Marco Daturi; Gérard Férey","Functionalization in Flexible Porous Solids: Effects on the Pore Opening and the Host-Guest Interactions","Journal of the American Chemical Society","2010","132","","1127","1136","10.1021/ja9092715","","","0.71073","MoKα","","0.1149","0.0734","","","0.227","0.2455","","","","","","1.199","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101823","14.008","0.003","11.521","0.0013","15.701","0.003","90","","96.679","0.01","90","","2516.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H26 N3 O9 Zn2 -","- C47 H26 N3 O9 Zn2 -","- C94 H52 N6 O18 Zn4 -","2","1","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","1.54178","CuKα","","0.1717","0.1266","","","0.3567","0.3954","","","","","","1.546","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101824","11.2038","0.0019","13.975","0.003","15.848","0.003","90","","90","","90","","2481.4","0.8","100","2","100","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C22 H12 Br N O4 Zn -","- C22 H12 Br N O4 Zn -","- C44 H24 Br2 N2 O8 Zn2 -","2","0.25","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","1.54178","CuKα","","0.0902","0.0487","","","0.1097","0.117","","","","","","0.808","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101825","15.654","0.001","15.9467","0.0011","11.6268","0.0008","90","","90","","90","","2902.4","0.3","100","2","100","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C22 H13 N2 O4 Zn -","- C22 H13 N2 O4 Zn -","- C88 H52 N8 O16 Zn4 -","4","1","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","0.41823","","","0.0908","0.0802","","","0.2087","0.2204","","","","","","0.837","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101826","11.711","0.0016","15.6181","0.0012","16.0362","0.0019","90","","90.205","0.01","90","","2933.1","0.6","100","2","100","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C22 H12 Br N2 O4 Zn -","- C22 H12 Br N2 O4 Zn -","- C44 H24 Br2 N4 O8 Zn2 -","2","0.5","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","0.71073","MoKα","","0.13","0.0956","","","0.2285","0.2456","","","","","","0.874","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101827","15.674","0.002","18.118","0.002","11.5857","0.0014","90","","90","","90","","3290.1","0.7","100","2","100","2","","","","","","","","5","P 1 1 21","P 2c","4","","","","- C46 H30 N6 O8 Zn2 -","- C46 H30 N6 O8 Zn2 -","- C92 H60 N12 O16 Zn4 -","2","1","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","0.41328","","","0.159","0.1391","","","0.3553","0.3832","","","","","","1.196","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101828","11.6151","0.0011","15.648","0.001","18.163","0.003","90","","93.202","0.01","90","","3296","0.7","100","2","100","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C23 H14 Br N3 O4 Zn -","- C23 H14 Br N3 O4 Zn -","- C46 H28 Br2 N6 O8 Zn2 -","2","0.5","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","0.71073","MoKα","","0.1484","0.1096","","","0.2624","0.2873","","","","","","0.912","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101829","10.1617","0.0013","16.451","0.002","22.313","0.003","90","","90","","90","","3730.1","0.8","100","2","100","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C29 H14 Br N2 O6 Zn -","- C29 H14 Br N2 O6 Zn -","- C58 H28 Br2 N4 O12 Zn2 -","2","0.25","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","1.54178","CuKα","","0.1236","0.0906","","","0.2187","0.2368","","","","","","0.981","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101830","14.199","","14.199","","39.0767","0.0005","90","","90","","120","","6822.82","0.09","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C90 H42 Ir2 N12 O20 Zn4 -","- C90 H42 Ir2 N12 O20 Zn4 -","- C270 H126 Ir6 N36 O60 Zn12 -","3","0.166667","","Zhigang Xie; Liqing Ma; Kathryn E. deKrafft; Athena Jin; Wenbin Lin","Porous Phosphorescent Coordination Polymers for Oxygen Sensing","Journal of the American Chemical Society","2010","132","","922","923","10.1021/ja909629f","","","1.54178","CuKα","","0.0419","0.0414","","","0.1254","0.1259","","","","","","1.001","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101831","17.1946","0.0003","18.1317","0.0003","27.9639","0.0006","71.293","0.002","90","","90","","8257.7","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C174 H84 Ir4 N18 O36 Zn6 -","- C174 H84 Ir4 N18 O36 Zn6 -","- C348 H168 Ir8 N36 O72 Zn12 -","2","1","","Zhigang Xie; Liqing Ma; Kathryn E. deKrafft; Athena Jin; Wenbin Lin","Porous Phosphorescent Coordination Polymers for Oxygen Sensing","Journal of the American Chemical Society","2010","132","","922","923","10.1021/ja909629f","","","1.54178","CuKα","","0.1852","0.0849","","","0.1873","0.2399","","","","","","1.035","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101832","13.7071","0.0002","17.0996","0.0003","17.8304","0.0003","90.467","0.001","109.629","0.0009","90.097","0.001","3936.16","0.11","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H42 Ir2 N8 O19 Zn2.5 -","- C78 H42 Ir2 N8 O19 Zn2.5 -","- C156 H84 Ir4 N16 O38 Zn5 -","2","1","","Zhigang Xie; Liqing Ma; Kathryn E. deKrafft; Athena Jin; Wenbin Lin","Porous Phosphorescent Coordination Polymers for Oxygen Sensing","Journal of the American Chemical Society","2010","132","","922","923","10.1021/ja909629f","","","1.54178","CuKα","","0.0588","0.0417","","","0.1063","0.1107","","","","","","0.975","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101833","19.121","0.003","21.195","0.003","21.618","0.003","90","","90","","90","","8761","2","113","2","113","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C95 H90 B F24 Ir N O P -","- C95 H90 B F24 Ir N O P -","- C380 H360 B4 F96 Ir4 N4 O4 P4 -","4","1","","Shen Li; Shou-Fei Zhu; Jian-Hua Xie; Song Song; Can-Ming Zhang; Qi-Lin Zhou","Enantioselective Hydrogenation of α-Aryloxy and α-Alkoxy α,β-Unsaturated Carboxylic Acids Catalyzed by Chiral Spiro Iridium/Phosphino-Oxazoline Complexes","Journal of the American Chemical Society","2010","132","","1172","1179","10.1021/ja909810k","","","0.7107","MoKα","","0.0588","0.0496","","","0.0847","0.088","","","","","","1.044","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101834","10.796","0.0002","10.796","0.0002","16.8101","0.0005","90","","90","","120","","1696.78","0.07","140","2","140","2","","","","","","","","6","P 32","P 32","145","","","","- C20 H18 Fe2 N2 O6 S2 -","- C20 H18 Fe2 N2 O6 S2 -","- C60 H54 Fe6 N6 O18 S6 -","3","1","","Dafa Chen; Rosario Scopelliti; Xile Hu","Synthesis and Reactivity of Iron Acyl Complexes Modeling the Active Site of [Fe]-Hydrogenase","Journal of the American Chemical Society","2010","132","","928","929","10.1021/ja9100485","","","0.71073","MoKα","","0.0326","0.0266","","","0.0468","0.0479","","","","","","0.973","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101835","11.4641","0.0005","17.338","0.0008","13.0286","0.0006","90","","103.027","0.005","90","","2523","0.2","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Fe N O3 P S -","- C28 H24 Fe N O3 P S -","- C112 H96 Fe4 N4 O12 P4 S4 -","4","1","","Dafa Chen; Rosario Scopelliti; Xile Hu","Synthesis and Reactivity of Iron Acyl Complexes Modeling the Active Site of [Fe]-Hydrogenase","Journal of the American Chemical Society","2010","132","","928","929","10.1021/ja9100485","","","0.71073","MoKα","","0.0593","0.0388","","","0.0839","0.0886","","","","","","1.038","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101836","15.205","0.0005","11.602","0.0004","32.716","0.0006","90","","95.385","0.002","90","","5745.9","0.3","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","E-1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]- 1,4-diisopropyl-2-diethylamino-2-tetrasilene","","- C38 H101 N Si12 -","- C38 H101 N Si12 -","- C152 H404 N4 Si48 -","4","1","","Katsuhiko Takeuchi; Masao Ikoshi; Masaaki Ichinohe; Akira Sekiguchi","Addition of Amines and Hydroborane to the Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]2) Giving Amino- and Boryl-Substituted Disilenes","Journal of the American Chemical Society","2010","132","","930","931","10.1021/ja910157h","","","0.7107","MoKα","","0.0696","0.0529","","","0.1392","0.1504","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101837","20.579","0.0009","17.723","0.0006","19.808","0.0008","90","","119.906","0.002","90","","6262.4","0.4","150","0.1","150","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","trans-1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]- 1,4-diisopropyl-2-(N,N-diphenylamino)-2-tetrasilene","","- C46 H101 N Si12 -","- C46 H100 N Si12 -","- C184 H400 N4 Si48 -","4","1","","Katsuhiko Takeuchi; Masao Ikoshi; Masaaki Ichinohe; Akira Sekiguchi","Addition of Amines and Hydroborane to the Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]2) Giving Amino- and Boryl-Substituted Disilenes","Journal of the American Chemical Society","2010","132","","930","931","10.1021/ja910157h","","","0.7107","MoKα","","0.0543","0.0447","","","0.1188","0.1239","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101838","15.421","0.0005","11.592","0.0004","37.112","0.0007","90","","98.946","0.002","90","","6553.4","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","E-1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]-1,4-diisopropyl- 2-(9-borabicyclo[3.3.1]nonan-9-yl]-2-tetrasilene","","- C49 H113 B Si12 -","- C49 H113 B Si12 -","- C196 H452 B4 Si48 -","4","1","","Katsuhiko Takeuchi; Masao Ikoshi; Masaaki Ichinohe; Akira Sekiguchi","Addition of Amines and Hydroborane to the Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]2) Giving Amino- and Boryl-Substituted Disilenes","Journal of the American Chemical Society","2010","132","","930","931","10.1021/ja910157h","","","0.7107","MoKα","","0.0711","0.0506","","","0.1365","0.1476","","","","","","1.051","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101839","25.0154","0.0013","11.3144","0.0006","22.0186","0.0011","90","","109.649","0.002","90","","5869.1","0.5","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H44 F O2 P Pd Si -","- C27 H44 F O2 P Pd Si -","- C216 H352 F8 O16 P8 Pd8 Si8 -","8","1","","Scott E. Denmark; Russell C. Smith","Mechanistic Duality in Palladium-Catalyzed Cross-Coupling Reactions of Aryldimethylsilanolates. Intermediacy of an 8-Si-4 Arylpalladium(II) Silanolate","Journal of the American Chemical Society","2010","132","","1243","1245","10.1021/ja907049y","","","0.71073","MoKα","","0.0429","0.0281","","","0.0611","0.0668","","","","","","1.029","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101840","12.5239","0.0003","12.6398","0.0004","15.2157","0.0004","90.909","0.002","105.17","0.001","103.595","0.002","2251.87","0.11","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 O2 P2 Pd Si -","- C52 H50 O2 P2 Pd Si -","- C104 H100 O4 P4 Pd2 Si2 -","2","1","","Scott E. Denmark; Russell C. Smith","Mechanistic Duality in Palladium-Catalyzed Cross-Coupling Reactions of Aryldimethylsilanolates. Intermediacy of an 8-Si-4 Arylpalladium(II) Silanolate","Journal of the American Chemical Society","2010","132","","1243","1245","10.1021/ja907049y","","","0.71073","MoKα","","0.0522","0.0353","","","0.0778","0.0847","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101841","5.5286","0.0002","7.7518","0.0003","19.4144","0.0006","90","","91.466","0.002","90","","831.76","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C44 H40 O4 -","2","1","","Sha Lou; Gregory C. Fu","Nickel/Bis(oxazoline)-Catalyzed Asymmetric Kumada Reactions of Alkyl Electrophiles: Cross-Couplings of Racemic α-Bromoketones","Journal of the American Chemical Society","2010","132","","1264","1266","10.1021/ja909689t","","","1.54178","CuKα","","0.0385","0.0376","","","0.1044","0.1049","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101842","10.0926","0.0011","7.019","0.0008","10.2938","0.0011","90","","108.555","0.003","90","","691.31","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 O4 S -","- C13 H16 O4 S -","- C26 H32 O8 S2 -","2","1","","Christopher J. Flynn; Curtis J. Elcoate; Simon E. Lawrence; Anita R. Maguire","Highly Enantioselective Intramolecular Copper Catalyzed C-H Insertion Reactions of α-Diazosulfones","Journal of the American Chemical Society","2010","132","","1184","1185","10.1021/ja909713a","","","0.71073","MoKα","","0.0376","0.0305","","","0.0714","0.0759","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101843","5.7607","0.0007","11.1384","0.0016","20.346","0.003","90","","90","","90","","1305.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O4 S -","- C13 H16 O4 S -","- C52 H64 O16 S4 -","4","1","","Christopher J. Flynn; Curtis J. Elcoate; Simon E. Lawrence; Anita R. Maguire","Highly Enantioselective Intramolecular Copper Catalyzed C-H Insertion Reactions of α-Diazosulfones","Journal of the American Chemical Society","2010","132","","1184","1185","10.1021/ja909713a","","","0.71073","MoKα","","0.0774","0.0441","","","0.0911","0.105","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101844","5.794","0.004","14.547","0.014","18.538","0.013","90","","90","","90","","1562","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C72 H72 O12 S4 -","4","1","","Christopher J. Flynn; Curtis J. Elcoate; Simon E. Lawrence; Anita R. Maguire","Highly Enantioselective Intramolecular Copper Catalyzed C-H Insertion Reactions of α-Diazosulfones","Journal of the American Chemical Society","2010","132","","1184","1185","10.1021/ja909713a","","","0.71073","MoKα","","0.0681","0.0406","","","0.0778","0.087","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101845","13.8993","0.0005","5.3222","0.00019","21.5004","0.0009","90","","107.142","0.002","90","","1519.84","0.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-(+)-Benzyloxyacetic acid 1-(toluene-4-sulfonyl)-4 -undecylidenepyrrolidin-3-yl ester","","- C31 H43 N O5 S -","- C31 H43 N O5 S -","- C62 H86 N2 O10 S2 -","2","1","","Rie Tanaka; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Asymmetric Reductive Cyclization of Heteroatom-Linked 5-Alkynals with Heteroatom-Substituted Acetaldehydes","Journal of the American Chemical Society","2010","132","","1238","1239","10.1021/ja9104655","","","1.54187","CuKα","","0.1097","0.0658","","","0.1525","0.1985","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101846","14.2115","0.0015","20.2651","0.0019","18.9643","0.0019","90","","96.746","0.002","90","","5423.9","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H78 N5 V -","- C61 H78 N5 V -","- C244 H312 N20 V4 -","4","1","","Ba L. Tran; Maren Pink; Xinfeng Gao; Hyunsoo Park; Daniel J. Mindiola","Low-Coordinate and Neutral Nitrido Complexes of Vanadium","Journal of the American Chemical Society","2010","132","","1458","1459","10.1021/ja908303k","","","0.71073","MoKα","","0.0882","0.0501","","","0.1104","0.1262","","","","","","1.009","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4101847","10.48","0.002","18.768","0.004","20.844","0.004","90","","103.704","0.005","90","","3983.1","1.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H55 N4 O V -","- C44 H55 N4 O V -","- C176 H220 N16 O4 V4 -","4","1","","Ba L. Tran; Maren Pink; Xinfeng Gao; Hyunsoo Park; Daniel J. Mindiola","Low-Coordinate and Neutral Nitrido Complexes of Vanadium","Journal of the American Chemical Society","2010","132","","1458","1459","10.1021/ja908303k","","x-ray","0.71073","MoKα","","0.0611","0.046","","","0.1219","0.1346","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101848","15.0353","0.0006","12.8334","0.0005","24.9918","0.001","90","","105.174","0.001","90","","4654.1","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H64 N5 V -","- C52 H64 N5 V -","- C208 H256 N20 V4 -","4","1","","Ba L. Tran; Maren Pink; Xinfeng Gao; Hyunsoo Park; Daniel J. Mindiola","Low-Coordinate and Neutral Nitrido Complexes of Vanadium","Journal of the American Chemical Society","2010","132","","1458","1459","10.1021/ja908303k","","","0.71073","MoKα","","0.0784","0.0455","","","0.1005","0.1137","","","","","","1.021","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4101849","10.5702","0.0015","18.793","0.003","20.862","0.003","90","","103.966","0.003","90","","4021.6","1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H55 N6 V -","- C43 H55 N6 V -","- C172 H220 N24 V4 -","4","1","","Ba L. Tran; Maren Pink; Xinfeng Gao; Hyunsoo Park; Daniel J. Mindiola","Low-Coordinate and Neutral Nitrido Complexes of Vanadium","Journal of the American Chemical Society","2010","132","","1458","1459","10.1021/ja908303k","","","0.71073","MoKα","","0.1034","0.0564","","","0.1347","0.1689","","","","","","1.055","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4101850","11.0075","0.0011","18.0498","0.0019","11.1488","0.0011","90","","103.942","0.007","90","","2149.8","0.4","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H39 F24 N9 O P4 Ru -","- C24 H39 F24 N9 O P4 Ru -","- C48 H78 F48 N18 O2 P8 Ru2 -","2","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.0656","0.0476","","","0.0936","0.1015","","","","","","1.025","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101851","16.86","0.07","18.6","0.03","14.35","0.05","90","","95","0.3","90","","4483","3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 F24 N8 P4 Ru -","- C32 H38 F24 N8 P4 Ru -","- C128 H152 F96 N32 P16 Ru4 -","4","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.2326","0.1418","","","0.3328","0.3951","","","","","","1.029","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101852","61.18","0.02","28.994","0.01","30.362","0.01","90","","90","","90","","53858","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Dr B. J. Coe","","- C152.25 H165.88 B4 N11.38 O5.38 Ru -","- C132 H122 B4 N8 O2 Ru -","- C2112 H1952 B64 N128 O32 Ru16 -","16","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.1476","0.0949","","","0.2268","0.2447","","","","","","0.861","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101853","16.4397","0.0015","7.3508","0.0006","18.6167","0.0016","90","","90","","90","","2249.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 I N2 -","- C11 H11 I N2 -","- C88 H88 I8 N16 -","8","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.0452","0.0355","","","0.0797","0.0838","","","","","","1.12","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101854","11.07","0.0009","19.987","0.0015","12.901","0.001","90","","111.99","0.001","90","","2646.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 I N2 O0.5 -","- C13 H14 I N2 O0.5 -","- C104 H112 I8 N16 O4 -","8","2","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.0457","0.0302","","","0.0617","0.0664","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101855","16.0499","0.0016","6.9437","0.0007","16.4241","0.0016","90","","115.326","0.002","90","","1654.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N2 O -","- C18 H18 Cl2 N2 O -","- C72 H72 Cl8 N8 O4 -","4","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.0614","0.0476","","","0.1372","0.1433","","","","","","1.361","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101856","25.521","0.017","14.223","0.01","15.13","0.01","90","","113.409","0.013","90","","5040","6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H46 F24 N8 P4 Ru -","- C40 H46 F24 N8 P4 Ru -","- C160 H184 F96 N32 P16 Ru4 -","4","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.1911","0.1104","","","0.2623","0.3121","","","","","","1.04","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101857","8.436","0.0012","17.851","0.003","20.117","0.003","90","","90","","90","","3029.4","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 Co N5 -","- C33 H43 Co N5 -","- C132 H172 Co4 N20 -","4","1","","Amanda C. Bowman; Carsten Milsmann; Crisita Carmen Hojilla Atienza; Emil Lobkovsky; Karl Wieghardt; Paul J. Chirik","Synthesis and Molecular and Electronic Structures of Reduced Bis(imino)pyridine Cobalt Dinitrogen Complexes: Ligand versus Metal Reduction","Journal of the American Chemical Society","2010","132","","1676","1684","10.1021/ja908955t","","","0.71073","MoKα","","0.0606","0.0416","","","0.0742","0.0806","","","","","","1.027","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101858","12.3808","0.0005","7.1865","0.0002","17.5078","0.0008","90","","98.452","0.002","90","","1540.83","0.1","297.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 O -","- C19 H22 O -","- C76 H88 O4 -","4","1","","Vanessa M. Marx; D. Jean Burnell","Nazarov Cyclizations of an Allenyl Vinyl Ketone with Interception of the Oxyallyl Cation Intermediate for the Formation of Carbon-Carbon Bonds","Journal of the American Chemical Society","2010","132","","1685","1689","10.1021/ja909073r","","","0.7107","MoKα","","","0.0526","","","","0.0693","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101859","8.044","0.002","15.913","0.005","3.4891","0.001","90","","100.08","0.02","90","","439.7","0.2","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Bi Cd4 O10 -","- B3 Bi Cd4 O10 -","- B6 Bi2 Cd8 O20 -","2","0.5","","Wei-Long Zhang; Wen-Dan Cheng; Hao Zhang; Lei Geng; Chen-Sheng Lin; Zhang-Zhen He","A Strong Second-Harmonic Generation Material Cd4BiO(BO3)3 Originating from 3-Chromophore Asymmetric Structures","Journal of the American Chemical Society","2010","132","","1508","1509","10.1021/ja9091209","","","0.71073","MoKα","","0.0411","0.0383","","","0.0806","0.0829","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101860","16.7809","0.0008","20.8853","0.001","8.7101","0.0004","90","","95.594","0.003","90","","3038.1","0.2","118.1","","118.1","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C52 H34 F24 N4 O16 Ru4 -","- C52 H52 F24 N4 O16 Ru4 -","- C104 H104 F48 N8 O32 Ru8 -","2","0.25","","Hitoshi Miyasaka; Natsuko Motokawa; Satoshi Matsunaga; Masahiro Yamashita; Kunihisa Sugimoto; Tatsuya Mori; Naoki Toyota; Kim R. Dunbar","Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional Networks by Tuning the Electron Affinity of TCNQ Units: A Route to Synergistic Magnetic/Conducting Materials","Journal of the American Chemical Society","2010","132","","1532","1544","10.1021/ja909489s","","","0.7107","MoKα","","","0.0452","","","","0.1523","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101861","20.058","0.002","20.031","0.002","8.5425","0.001","90","","99.986","0.007","90","","3380.2","0.6","193.1","","193.1","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C38 H16 Br2 Cl4 F24 N4 O16 Ru4 -","- C38 H16 Br2 Cl4.04 F24 N4 O16 Ru4 -","- C76 H32 Br4 Cl8.08 F48 N8 O32 Ru8 -","2","0.25","","Hitoshi Miyasaka; Natsuko Motokawa; Satoshi Matsunaga; Masahiro Yamashita; Kunihisa Sugimoto; Tatsuya Mori; Naoki Toyota; Kim R. Dunbar","Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional Networks by Tuning the Electron Affinity of TCNQ Units: A Route to Synergistic Magnetic/Conducting Materials","Journal of the American Chemical Society","2010","132","","1532","1544","10.1021/ja909489s","","","0.71069","MoKα","","","0.1119","","","","0.2893","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101862","17.402","0.01","20.705","0.01","8.722","0.005","90","","95.629","0.008","90","","3127","3","103.1","","103.1","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C47.8 H27.8 Cl2.8 F26 N4 O16 Ru4 -","- C47.8 H16 Cl2.8 F26 N4 O16 Ru4 -","- C95.6 H32 Cl5.6 F52 N8 O32 Ru8 -","2","0.25","","Hitoshi Miyasaka; Natsuko Motokawa; Satoshi Matsunaga; Masahiro Yamashita; Kunihisa Sugimoto; Tatsuya Mori; Naoki Toyota; Kim R. Dunbar","Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional Networks by Tuning the Electron Affinity of TCNQ Units: A Route to Synergistic Magnetic/Conducting Materials","Journal of the American Chemical Society","2010","132","","1532","1544","10.1021/ja909489s","","","0.71075","MoKα","","","0.038","","","","0.088","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101863","17.542","0.014","20.644","0.016","8.788","0.007","90","","96.627","0.013","90","","3161","4","117.1","","117.1","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C52 H30 F28 N4 O16 Ru4 -","- C52 H45 F28 N4 O16 Ru4 -","- C104 H90 F56 N8 O32 Ru8 -","2","0.25","","Hitoshi Miyasaka; Natsuko Motokawa; Satoshi Matsunaga; Masahiro Yamashita; Kunihisa Sugimoto; Tatsuya Mori; Naoki Toyota; Kim R. Dunbar","Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional Networks by Tuning the Electron Affinity of TCNQ Units: A Route to Synergistic Magnetic/Conducting Materials","Journal of the American Chemical Society","2010","132","","1532","1544","10.1021/ja909489s","","","0.7107","MoKα","","","0.0681","","","","0.1286","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101864","16.825","0.003","20.753","0.004","8.5773","0.0015","90","","95.607","0.003","90","","2980.6","0.9","103.1","","103.1","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C52 H34 F24 N4 O16 Rh4 -","- C52 H12 F24 N4 O16 Rh4 -","- C104 H24 F48 N8 O32 Rh8 -","2","0.25","","Hitoshi Miyasaka; Natsuko Motokawa; Satoshi Matsunaga; Masahiro Yamashita; Kunihisa Sugimoto; Tatsuya Mori; Naoki Toyota; Kim R. Dunbar","Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional Networks by Tuning the Electron Affinity of TCNQ Units: A Route to Synergistic Magnetic/Conducting Materials","Journal of the American Chemical Society","2010","132","","1532","1544","10.1021/ja909489s","","","0.71075","MoKα","","","0.0381","","","","0.0945","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101865","17.555","0.007","20.578","0.008","8.505","0.004","90","","95.622","0.007","90","","3058","2","103.1","","103.1","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C50.2 H30.2 Cl1.2 F26 N4 O16 Rh4 -","- C50.2 H16 Cl1.2 F26 N4 O16 Rh4 -","- C100.4 H32 Cl2.4 F52 N8 O32 Rh8 -","2","0.25","","Hitoshi Miyasaka; Natsuko Motokawa; Satoshi Matsunaga; Masahiro Yamashita; Kunihisa Sugimoto; Tatsuya Mori; Naoki Toyota; Kim R. Dunbar","Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional Networks by Tuning the Electron Affinity of TCNQ Units: A Route to Synergistic Magnetic/Conducting Materials","Journal of the American Chemical Society","2010","132","","1532","1544","10.1021/ja909489s","","","0.71075","MoKα","","","0.0691","","","","0.2026","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101866","8.734","0.004","20.41","0.008","17.895","0.008","90","","96.128","0.006","90","","3172","2","93.1","","93.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H18 Cl8 F28 N4 O16 Rh4 -","- C40 H18 Cl8 F28 N4 O16 Rh4 -","- C80 H36 Cl16 F56 N8 O32 Rh8 -","2","0.5","","Hitoshi Miyasaka; Natsuko Motokawa; Satoshi Matsunaga; Masahiro Yamashita; Kunihisa Sugimoto; Tatsuya Mori; Naoki Toyota; Kim R. Dunbar","Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional Networks by Tuning the Electron Affinity of TCNQ Units: A Route to Synergistic Magnetic/Conducting Materials","Journal of the American Chemical Society","2010","132","","1532","1544","10.1021/ja909489s","","","0.7107","MoKα","","","0.0557","","","","0.1374","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101867","5.543","0.0001","8.2574","0.0001","10.6426","0.0002","71.438","0.001","75.465","0.001","89.918","0.001","445.363","0.013","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H19 N2 O -","- C24 H20 N2 O -","- C24 H20 N2 O -","1","1","","Jonathan A. Brekan; Troy E. Reynolds; Karl A. Scheidt","Enantioselective Synthesis of Substituted Indanones from Silyloxyallenes","Journal of the American Chemical Society","2010","132","","1472","1473","10.1021/ja909669e","","","0.71073","MoKα","","0.0383","0.0369","","","0.1007","0.102","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101868","9.6045","0.0004","15.7113","0.0008","16.1606","0.0006","74.298","0.004","87.94","0.003","76.826","0.004","2284.97","0.18","350","2","350","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Fe2 N12 O S4 -","- C41 H37 Fe2 N12 O S4 -","- C82 H74 Fe4 N24 O2 S8 -","2","1","","Bao Li; Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Solvent-Induced Transformation of Single Crystals of a Spin-Crossover (SCO) Compound to Single Crystals with Two Distinct SCO Centers","Journal of the American Chemical Society","2010","132","","1558","1566","10.1021/ja909695f","","","0.71073","MoKα","","0.0629","0.0429","","","0.1173","0.1242","","","","","","1.071","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101869","11.9461","0.0003","11.7266","0.0004","17.3306","0.0005","90","","91.759","0.002","90","","2426.65","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Fe N6 S2 -","- C20 H18 Fe N6 S2 -","- C80 H72 Fe4 N24 S8 -","4","1","","Bao Li; Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Solvent-Induced Transformation of Single Crystals of a Spin-Crossover (SCO) Compound to Single Crystals with Two Distinct SCO Centers","Journal of the American Chemical Society","2010","132","","1558","1566","10.1021/ja909695f","","","0.71073","MoKα","","0.1004","0.0869","","","0.2467","0.258","","","","","","1.068","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101870","12.1789","0.0003","11.878","0.0003","17.7127","0.0004","90","","93.391","0.002","90","","2557.85","0.11","260","2","260","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Fe N6 S2 -","- C20 H18 Fe N6 S2 -","- C80 H72 Fe4 N24 S8 -","4","1","","Bao Li; Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Solvent-Induced Transformation of Single Crystals of a Spin-Crossover (SCO) Compound to Single Crystals with Two Distinct SCO Centers","Journal of the American Chemical Society","2010","132","","1558","1566","10.1021/ja909695f","","","0.71073","MoKα","","0.0739","0.0588","","","0.1925","0.2006","","","","","","1.063","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101871","9.3957","0.0004","15.4425","0.0007","15.7179","0.0006","74.117","0.004","87.735","0.003","75.846","0.004","2125.98","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Fe2 N12 O S4 -","- C41 H37 Fe2 N12 O S4 -","- C82 H74 Fe4 N24 O2 S8 -","2","1","","Bao Li; Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Solvent-Induced Transformation of Single Crystals of a Spin-Crossover (SCO) Compound to Single Crystals with Two Distinct SCO Centers","Journal of the American Chemical Society","2010","132","","1558","1566","10.1021/ja909695f","","","0.71073","MoKα","","0.0822","0.0393","","","0.0641","0.0694","","","","","","0.842","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101872","9.5965","0.0005","15.7142","0.0008","15.8899","0.0007","73.598","0.004","86.862","0.004","76.098","0.004","2231.1","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Fe2 N12 O S4 -","- C41 H37 Fe2 N12 O S4 -","- C82 H74 Fe4 N24 O2 S8 -","2","1","","Bao Li; Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Solvent-Induced Transformation of Single Crystals of a Spin-Crossover (SCO) Compound to Single Crystals with Two Distinct SCO Centers","Journal of the American Chemical Society","2010","132","","1558","1566","10.1021/ja909695f","","","0.71073","MoKα","","0.1581","0.0504","","","0.0708","0.0866","","","","","","0.801","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101873","5.9","0.002","11.571","0.005","23.062","0.009","90","","90","","90","","1574.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl3 N O3 -","- C14 H14 Cl3 N O3 -","- C56 H56 Cl12 N4 O12 -","4","1","","Stéphane Beaumont; Elizabeth A. Ilardi; Lucas R. Monroe; Armen Zakarian","Valence Tautomerism in Titanium Enolates: Catalytic Radical Haloalkylation and Application in the Total Synthesis of Neodysidenin","Journal of the American Chemical Society","2010","132","","1482","1483","10.1021/ja910154f","","","0.71073","MoKα","","0.0453","0.0369","","","0.0982","0.103","","","","","","1.18","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101874","5.887","0.004","11.304","0.007","13.23","0.008","90","","98.187","0.009","90","","871.4","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H15 Cl6 N O3 -","- C11 H15 Cl6 N O3 -","- C22 H30 Cl12 N2 O6 -","2","1","","Stéphane Beaumont; Elizabeth A. Ilardi; Lucas R. Monroe; Armen Zakarian","Valence Tautomerism in Titanium Enolates: Catalytic Radical Haloalkylation and Application in the Total Synthesis of Neodysidenin","Journal of the American Chemical Society","2010","132","","1482","1483","10.1021/ja910154f","","","0.71073","MoKα","","0.055","0.0399","","","0.0858","0.092","","","","","","0.932","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101875","10.9585","0.0004","7.9293","0.0003","15.5064","0.0006","90","","107.736","0.0004","90","","1283.36","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 N O3 Si -","- C24 H39 N O3 Si -","- C48 H78 N2 O6 Si2 -","2","1","","Tim G. Elford; Dennis G. Hall","Total Synthesis of (+)-Chinensiolide B via Tandem Allylboration/Lactonization","Journal of the American Chemical Society","2010","132","","1488","1489","10.1021/ja9104478","","","0.71073","MoKα","","0.0338","0.0319","","","0.0848","0.0868","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101876","47.7085","0.0002","81.9437","0.0004","10.5045","0.0001","90","","90","","90","","41066.4","0.5","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C29 H32 Cl F12 N6 P2 Ru -","- C29 H32 Cl F12 N6 P2 Ru -","- C1392 H1536 Cl48 F576 N288 P96 Ru48 -","48","3","","Sipke H. Wadman; Remco W. A. Havenith; Martin Lutz; Anthony L. Spek; Gerard P. M. van Klink; Gerard van Koten","Selective para-Halogenation and Dimerization of N,C,N'-Arylruthenium(II) and -(III) 2,2':6',2''-Terpyridine Cations","Journal of the American Chemical Society","2010","132","","1914","1924","10.1021/ja9073276","","","0.71073","MoKα","","0.0422","0.0322","","","0.0676","0.0721","","","","","","1.034","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101877","15.334","0.004","8.573","0.003","24.431","0.007","90","","90","","90","","3211.7","1.7","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","meso-1,1'-(ditertbutylethylenyl)ferrocene","","","- C20 H28 Fe -","- C20 H28 Fe -","- C160 H224 Fe8 -","8","1","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.0494","0.0334","","","0.1001","0.1426","","","","","","1.34","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101878","31.1903","0.0013","9.7393","0.0004","8.3897","0.0003","90","","97.722","0.002","90","","2525.44","0.17","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","rac-1,1'-ditertbutylethylenylferrocene","","","- C20 H28 Fe -","- C20 H28 Fe -","- C120 H168 Fe6 -","6","1.5","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.0741","0.0592","","","0.1421","0.1507","","","","","","1.043","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101879","8.0839","0.0006","10.4761","0.0008","8.6654","0.0007","90","","91.849","0.005","90","","733.47","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 Ru -","- C18 H24 Ru -","- C36 H48 Ru2 -","2","1","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.05","0.0394","","","0.1016","0.1093","","","","","","0.776","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101880","15.377","0.0004","8.678","0.0002","24.7818","0.0006","90","","90","","90","","3306.92","0.14","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Ru -","- C20 H28 Ru -","- C160 H224 Ru8 -","8","1","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.0308","0.0246","","","0.0658","0.0696","","","","","","1.143","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101881","10.4394","0.0012","8.2881","0.0009","9.7006","0.0011","90","","90","","90","","839.32","0.16","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H28 Ru -","- C20 H28 Ru -","- C40 H56 Ru2 -","2","0.5","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.022","0.0207","","","0.0465","0.0486","","","","","","1.088","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101882","18.014","0.0002","27.2308","0.0005","19.7247","0.0003","90","","92.588","0.001","90","","9665.8","0.3","293","2","293","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C30 H138 K9 Mo23 N5 O113 S24 -","- C30 H30 K9 Mo23 N5 O113 S24 -","- C60 H60 K18 Mo46 N10 O226 S48 -","2","1","","Sylvain Duval; Sébastien Floquet; Corine Simonnet-Jégat; Jérôme Marrot; Rosa Ngo Biboum; Bineta Keita; Louis Nadjo; Mohamed Haouas; Francis Taulelle; Emmanuel Cadot","Capture of the [Mo~3~S~4~]^4+^ Cluster within a {Mo~18~} Macrocycle Yielding a Supramolecular Assembly Stabilized by a Dynamic H-Bond Network","Journal of the American Chemical Society","2010","132","","2069","2077","10.1021/ja909762p","","","0.71073","MoKα","","0.0633","0.0512","","","0.1405","0.1474","","","","","","1.059","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101883","20.4851","0.0012","20.4851","0.0012","29.203","0.002","90","","90","","90","","12254.7","1.3","293","2","293","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C24 H56 K2 Mo4 N4 Na2 O42 S4 -","- C24 H24 K Mo4 N4 O32 S4 -","- C192 H192 K8 Mo32 N32 O256 S32 -","8","0.5","","Sylvain Duval; Sébastien Floquet; Corine Simonnet-Jégat; Jérôme Marrot; Rosa Ngo Biboum; Bineta Keita; Louis Nadjo; Mohamed Haouas; Francis Taulelle; Emmanuel Cadot","Capture of the [Mo~3~S~4~]^4+^ Cluster within a {Mo~18~} Macrocycle Yielding a Supramolecular Assembly Stabilized by a Dynamic H-Bond Network","Journal of the American Chemical Society","2010","132","","2069","2077","10.1021/ja909762p","","","0.71073","MoKα","","0.12","0.0691","","","0.2074","0.2486","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101884","8.2106","0.0014","6.7252","0.0012","12.488","0.002","90","","96.472","0.003","90","","685.2","0.2","297","2","297","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H12 N4 O3 S -","- C13 H12 N4 O3 S -","- C26 H24 N8 O6 S2 -","2","0.5","","Peihua Xi; Fan Yang; Song Qin; Dongbing Zhao; Jingbo Lan; Ge Gao; Changwei Hu; Jingsong You","Palladium(II)-Catalyzed Oxidative C-H/C-H Cross-Coupling of Heteroarenes","Journal of the American Chemical Society","2010","132","","1822","1824","10.1021/ja909807f","","x-ray","0.71073","MoKα","","0.0529","0.0454","","","0.1332","0.1438","","","","","","1.094","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101885","6.0697","0.0002","11.6015","0.0003","12.9255","0.0005","90","","90.523","0.003","90","","910.15","0.05","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 N2 O S -","- C9 H8 N2 O S -","- C36 H32 N8 O4 S4 -","4","1","","Peihua Xi; Fan Yang; Song Qin; Dongbing Zhao; Jingbo Lan; Ge Gao; Changwei Hu; Jingsong You","Palladium(II)-Catalyzed Oxidative C-H/C-H Cross-Coupling of Heteroarenes","Journal of the American Chemical Society","2010","132","","1822","1824","10.1021/ja909807f","","x-ray","0.71073","MoKα","","0.0542","0.0351","","","0.0913","0.095","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101886","23.644","0.008","8.032","0.003","29.052","0.009","90","","110.535","0.005","90","","5167","3","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 B F3 N5 O6 Ru S -","- C18 H20 B F3 N5 O6 Ru S -","- C144 H160 B8 F24 N40 O48 Ru8 S8 -","8","1","","Brian L. Conley; Travis J. Williams","Thermochemistry and Molecular Structure of a Remarkable Agostic Interaction in a Heterobifunctional Ruthenium-Boron Complex","Journal of the American Chemical Society","2010","132","","1764","1765","10.1021/ja909858a","","","0.71073","MoKα","","0.104","0.0561","","","0.1236","0.1421","","","","","","0.984","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101887","8.9877","0.0008","13.6367","0.0013","17.3641","0.0016","90","","103.424","0.002","90","","2070","0.3","144","2","144","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 B Cl N2 Ru -","- C22 H28 B Cl N2 Ru -","- C88 H112 B4 Cl4 N8 Ru4 -","4","1","","Brian L. Conley; Travis J. Williams","Thermochemistry and Molecular Structure of a Remarkable Agostic Interaction in a Heterobifunctional Ruthenium-Boron Complex","Journal of the American Chemical Society","2010","132","","1764","1765","10.1021/ja909858a","","","0.71073","MoKα","","0.0421","0.0322","","","0.076","0.08","","","","","","1.058","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101888","8.055","0.016","9.457","0.018","15.79","0.03","96.57","0.04","91.22","0.04","95.44","0.03","1189","4","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H23 B F3 N5 O3 Ru S -","- C19 H23 B F3 N5 O3 Ru S -","- C38 H46 B2 F6 N10 O6 Ru2 S2 -","2","1","","Brian L. Conley; Travis J. Williams","Thermochemistry and Molecular Structure of a Remarkable Agostic Interaction in a Heterobifunctional Ruthenium-Boron Complex","Journal of the American Chemical Society","2010","132","","1764","1765","10.1021/ja909858a","","","0.71073","MoKα","","0.2026","0.0921","","","0.1887","0.2468","","","","","","1.059","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101889","25.137","0.017","6.351","0.004","19.808","0.013","90","","116.975","0.008","90","","2818","3","153.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O -","- C17 H17 N O -","- C136 H136 N8 O8 -","8","1","","Tetsuaki Fujihara; Yuko Katafuchi; Tomohiro Iwai; Jun Terao; Yasushi Tsuji","Palladium-Catalyzed Intermolecular Addition of Formamides to Alkynes","Journal of the American Chemical Society","2010","132","","2094","2098","10.1021/ja910038p","","","0.7107","MoKα","","","0.0659","","","","0.1528","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101890","5.867","0.002","10.838","0.004","14.128","0.006","79.302","0.007","87.32","0.007","88.987","0.008","881.7","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Zheng, Huaiji; Zheng, Jiyue; Yu, Binxun; Chen, Qiang; Wang, Xiaolei; He, Yongping; Yang, Zhen; She, Xuegong","Pt-Catalyzed Tandem 1,2-Acyloxy Migration/Intramolecular [3 + 2] Cycloaddition of Enynyl Esters","Journal of the American Chemical Society","2010","132","6","1788","1789","10.1021/ja910346m","","","0.71073","MoKα","","0.1352","0.0723","","","0.1994","0.2361","","","","","","1.045","","","","has coordinates","210879","2020-10-21","18:00:00",""
"4101891","8.2627","0.0004","9.2103","0.0004","11.3983","0.0004","91.863","0.002","101.511","0.002","100.929","0.002","832.34","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C38 H48 O8 -","2","1","","Zheng, Huaiji; Zheng, Jiyue; Yu, Binxun; Chen, Qiang; Wang, Xiaolei; He, Yongping; Yang, Zhen; She, Xuegong","Pt-Catalyzed Tandem 1,2-Acyloxy Migration/Intramolecular [3 + 2] Cycloaddition of Enynyl Esters","Journal of the American Chemical Society","2010","132","6","1788","1789","10.1021/ja910346m","","","0.71073","MoKα","","0.0681","0.0446","","","0.1071","0.1239","","","","","","1.043","","","","has coordinates","210879","2020-10-21","18:00:00",""
"4101892","9.4926","0.0019","11.463","0.003","12.601","0.003","92.641","0.012","102.774","0.011","90.617","0.011","1335.5","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O3 -","- C13 H22 O3 -","- C52 H88 O12 -","4","2","","Zheng, Huaiji; Zheng, Jiyue; Yu, Binxun; Chen, Qiang; Wang, Xiaolei; He, Yongping; Yang, Zhen; She, Xuegong","Pt-Catalyzed Tandem 1,2-Acyloxy Migration/Intramolecular [3 + 2] Cycloaddition of Enynyl Esters","Journal of the American Chemical Society","2010","132","6","1788","1789","10.1021/ja910346m","","","0.71073","MoKα","","0.2156","0.0714","","","0.1407","0.2018","","","","","","0.929","","","","has coordinates","210879","2020-10-21","18:00:00",""
"4101893","12.9463","0.0013","13.1712","0.0014","14.2459","0.0015","102.253","0.008","106.079","0.008","95.609","0.008","2249.1","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16.5 H23 K2 N1.5 O5.75 -","- C16.5 H23 K2 N1.5 O5.75 -","- C66 H92 K8 N6 O23 -","4","2","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2010","132","","2099","2100","10.1021/ja9104733","","","1.54178","CuKα","","0.1268","0.0808","","","0.2183","0.2644","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101894","10.3628","0.0005","11.1182","0.0005","13.0439","0.0006","89.47","0.003","88.254","0.003","80.848","0.002","1483.03","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Al Br0.5 Cl3 P -","- C30 H33 Al Br0.5 Cl3 P -","- C60 H66 Al2 Br Cl6 P2 -","2","1","","Gabriel Ménard; Douglas W. Stephan","Room Temperature Reduction of CO2 to Methanol by Al-Based Frustrated Lewis Pairs and Ammonia Borane","Journal of the American Chemical Society","2010","132","","1796","1797","10.1021/ja9104792","","","0.71073","MoKα","","0.0834","0.0563","","","0.1516","0.1671","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101895","10.5729","0.0004","11.2503","0.0004","13.1735","0.0005","84.716","0.002","85.767","0.002","76.403","0.002","1514.37","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 Al Br3 P -","- C30 H40 Al Br3 P -","- C60 H80 Al2 Br6 P2 -","2","1","","Gabriel Ménard; Douglas W. Stephan","Room Temperature Reduction of CO2 to Methanol by Al-Based Frustrated Lewis Pairs and Ammonia Borane","Journal of the American Chemical Society","2010","132","","1796","1797","10.1021/ja9104792","","","0.71073","MoKα","","0.0786","0.0467","","","0.1198","0.1333","","","","","","1.025","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101896","10.5382","0.001","20.0664","0.0015","31.987","0.003","90","","90","","90","","6764.1","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H33 Al2 Cl6 O2 P -","- C28 H33 Al2 Cl6 O2 P -","- C224 H264 Al16 Cl48 O16 P8 -","8","1","","Gabriel Ménard; Douglas W. Stephan","Room Temperature Reduction of CO2 to Methanol by Al-Based Frustrated Lewis Pairs and Ammonia Borane","Journal of the American Chemical Society","2010","132","","1796","1797","10.1021/ja9104792","","","0.71073","MoKα","","0.2184","0.1023","","","0.2189","0.2715","","","","","","1.018","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101897","10.7976","0.0006","10.9304","0.0006","16.1191","0.001","100.641","0.003","90.487","0.003","107.466","0.003","1779.34","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Al2 Br6 O2 P -","- C28 H33 Al2 Br6 O2 P -","- C56 H66 Al4 Br12 O4 P2 -","2","1","","Gabriel Ménard; Douglas W. Stephan","Room Temperature Reduction of CO2 to Methanol by Al-Based Frustrated Lewis Pairs and Ammonia Borane","Journal of the American Chemical Society","2010","132","","1796","1797","10.1021/ja9104792","","","0.71073","MoKα","","0.0951","0.0457","","","0.1161","0.1329","","","","","","1.062","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101898","13.57","0.0007","15.0537","0.0008","15.6353","0.0008","102.707","0.003","93.952","0.003","102.129","0.003","3023.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 Al Br4 P -","- C27 H33 Al Br4 P -","- C108 H132 Al4 Br16 P4 -","4","2","","Gabriel Ménard; Douglas W. Stephan","Room Temperature Reduction of CO2 to Methanol by Al-Based Frustrated Lewis Pairs and Ammonia Borane","Journal of the American Chemical Society","2010","132","","1796","1797","10.1021/ja9104792","","","0.71073","MoKα","","0.0651","0.0428","","","0.0996","0.1101","","","","","","1.016","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101899","9.1227","0.0011","18.873","0.002","20.343","0.002","90","","90","","90","","3502.5","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C160 H136 N8 O32 -","8","1","","Chang Ho Oh; Swastik Karmakar; HyoSeung Park; YoungCheon Ahn; Jung Wook Kim","Domino Process in Silver-Catalyzed Reactions of N-Arylformimidates and Active Methylene Compounds Involving Cycloisomerization and 1,3-Alkenyl Shift","Journal of the American Chemical Society","2010","132","","1792","1793","10.1021/ja9106226","","","0.71073","MoKα","","0.1149","0.0565","","","0.1012","0.1282","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101900","18.7639","0.0003","16.9382","0.0003","21.0542","0.0004","90","","106.241","0.001","90","","6424.6","0.2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Be F6 N6 O17 Re2 S2 -","- C56 H52 Be F6 N6 O17 Re2 S2 -","- C224 H208 Be4 F24 N24 O68 Re8 S8 -","4","1","","Troy E. Knight; James K. McCusker","Orbital-Specific Energy Transfer","Journal of the American Chemical Society","2010","132","","2208","2221","10.1021/ja907303t","","","1.54178","CuKα","","0.0507","0.0478","","","0.1297","0.1319","","","","","","1.053","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101901","10.3213","0.0012","24.532","0.003","12.1608","0.0014","90","","104.027","0.002","90","","2987.3","0.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 Cu F6 N8 O16 Re2 S2 -","- C52 H42 Cu F6 N8 O16 Re2 S2 -","- C104 H84 Cu2 F12 N16 O32 Re4 S4 -","2","0.5","","Troy E. Knight; James K. McCusker","Orbital-Specific Energy Transfer","Journal of the American Chemical Society","2010","132","","2208","2221","10.1021/ja907303t","","","0.71073","MoKα","","0.0225","0.0189","","","0.0432","0.0443","","","","","","1.005","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101902","13.863","0.002","30.022","0.004","6.2454","0.0009","90","","90","","90","","2599.3","0.6","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C10.5 H16 Cl I N O3 -","- C10.5 H14 Cl I N O3 -","- C84 H112 Cl8 I8 N8 O24 -","8","1","","Xinqiang Fang; Kun Liu; Chaozhong Li","Efficient Regio- and Stereoselective Formation of Azocan-2-ones via 8-EndoCyclization of α-Carbamoyl Radicals","Journal of the American Chemical Society","2010","132","","2274","2283","10.1021/ja9082649","","","0.71073","MoKα","","0.1607","0.0772","","","0.2335","0.2632","","","","","","0.934","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101903","11.536","0.003","6.2833","0.0014","16.804","0.004","90","","104.543","0.004","90","","1179","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 I N O3 -","- C10 H14 I N O3 -","- C40 H56 I4 N4 O12 -","4","1","","Xinqiang Fang; Kun Liu; Chaozhong Li","Efficient Regio- and Stereoselective Formation of Azocan-2-ones via 8-EndoCyclization of α-Carbamoyl Radicals","Journal of the American Chemical Society","2010","132","","2274","2283","10.1021/ja9082649","","","0.71073","MoKα","","0.0838","0.0551","","","0.1276","0.1396","","","","","","0.878","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101904","6.84","0.008","7.013","0.008","13.178","0.015","79.04","0.02","89.21","0.02","73.583","0.019","594.8","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 I N O3 -","- C10 H14 I N O3 -","- C20 H28 I2 N2 O6 -","2","1","","Xinqiang Fang; Kun Liu; Chaozhong Li","Efficient Regio- and Stereoselective Formation of Azocan-2-ones via 8-EndoCyclization of α-Carbamoyl Radicals","Journal of the American Chemical Society","2010","132","","2274","2283","10.1021/ja9082649","","","0.71073","MoKα","","0.0983","0.0641","","","0.1408","0.156","","","","","","0.894","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101905","7.9889","0.001","8.9128","0.0012","22.255","0.003","90","","90","","90","","1584.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 I N O3 -","- C15 H18 I N O3 -","- C60 H72 I4 N4 O12 -","4","1","","Xinqiang Fang; Kun Liu; Chaozhong Li","Efficient Regio- and Stereoselective Formation of Azocan-2-ones via 8-EndoCyclization of α-Carbamoyl Radicals","Journal of the American Chemical Society","2010","132","","2274","2283","10.1021/ja9082649","","","0.71073","MoKα","","0.0705","0.0578","","","0.1488","0.1574","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101906","19.0493","0.0007","11.8023","0.0004","10.8159","0.0004","90","","90","","90","","2431.69","0.15","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H15 N O4 S -","- C12 H15 N O4 S -","- C96 H120 N8 O32 S8 -","8","2","","Armin H. Stoll; Simon B. Blakey","Rhodium Catalyzed Allene Amination: Diastereoselective Synthesis of Aminocyclopropanes via a 2-Amidoallylcation Intermediate","Journal of the American Chemical Society","2010","132","","2108","2109","10.1021/ja908538t","","","1.54178","CuKα","","0.0224","0.022","","","0.056","0.0563","","","","","","1.04","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101907","12.6837","0.0003","8.7119","0.0003","13.9765","0.0004","90","","110.965","0.001","90","","1442.15","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 N O5 S -","- C11 H19 N O5 S -","- C44 H76 N4 O20 S4 -","4","1","","Armin H. Stoll; Simon B. Blakey","Rhodium Catalyzed Allene Amination: Diastereoselective Synthesis of Aminocyclopropanes via a 2-Amidoallylcation Intermediate","Journal of the American Chemical Society","2010","132","","2108","2109","10.1021/ja908538t","","","1.54178","CuKα","","0.0692","0.065","","","0.1919","0.1965","","","","","","1.009","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101908","6.9683","0.0013","21.374","0.004","12.566","0.003","90","","91.091","0.001","90","","1871.2","0.7","172","2","172","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O5 S -","- C19 H22 N2 O5 S -","- C76 H88 N8 O20 S4 -","4","1","","Armin H. Stoll; Simon B. Blakey","Rhodium Catalyzed Allene Amination: Diastereoselective Synthesis of Aminocyclopropanes via a 2-Amidoallylcation Intermediate","Journal of the American Chemical Society","2010","132","","2108","2109","10.1021/ja908538t","","","0.71073","MoKα","","0.0748","0.0471","","","0.1119","0.1252","","","","","","1.081","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101909","8.5714","0.0008","8.9832","0.0009","9.6979","0.001","90","","114.317","0.007","90","","680.48","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C26 H34 N2 O8 S2 -","2","1","","Armin H. Stoll; Simon B. Blakey","Rhodium Catalyzed Allene Amination: Diastereoselective Synthesis of Aminocyclopropanes via a 2-Amidoallylcation Intermediate","Journal of the American Chemical Society","2010","132","","2108","2109","10.1021/ja908538t","","","1.54178","CuKα","","0.0729","0.0464","","","0.1129","0.1457","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101910","9.7851","0.0003","9.8986","0.0003","10.742","0.0003","73.79","0.0015","71.6838","0.0014","79.3001","0.0013","942.99","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Fe5 N4 O40 P8 -","- C10 H24 Fe5 N4 O40 P8 -","- C10 H24 Fe5 N4 O40 P8 -","1","0.5","","Fiona R. Kizewski; Paul Boyle; Dean Hesterberg; James D. Martin","Mixed Anion (Phosphate/Oxalate) Bonding to Iron(III) Materials","Journal of the American Chemical Society","2010","132","","2301","2308","10.1021/ja908807b","","","0.71073","MolybdenumKα","","0.044","0.037","","0.051","","0.051","","","","","","1.48","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4101911","17.982","0.005","16.3","0.005","10.747","0.002","90","","116.82","0.03","90","","2811.2","1.5","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H8 O3 -","- C12 H8 O3 -","- C144 H96 O36 -","12","3","","Ori Gidron; Yael Diskin-Posner; Michael Bendikov","α-Oligofurans","Journal of the American Chemical Society","2010","132","","2148","2150","10.1021/ja9093346","","","0.71073","MoKα","","0.0529","0.0403","","","0.1045","0.1137","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101912","19.4403","0.0016","5.2922","0.0004","8.9457","0.0008","90","","99.719","0.005","90","","907.14","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 O6 -","- C24 H14 O6 -","- C48 H28 O12 -","2","0.5","","Ori Gidron; Yael Diskin-Posner; Michael Bendikov","α-Oligofurans","Journal of the American Chemical Society","2010","132","","2148","2150","10.1021/ja9093346","","","0.71073","MoKα","","0.1807","0.0501","","","0.0949","0.1337","","","","","","0.925","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101913","11.2338","0.0017","5.3584","0.0007","10.9863","0.0016","90","","114.828","0.005","90","","600.2","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O4 -","- C16 H10 O4 -","- C32 H20 O8 -","2","0.5","","Ori Gidron; Yael Diskin-Posner; Michael Bendikov","α-Oligofurans","Journal of the American Chemical Society","2010","132","","2148","2150","10.1021/ja9093346","","","0.71073","MoKα","","0.0837","0.0428","","","0.0974","0.1167","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101914","14.5159","0.0002","6.9687","0.0001","17.3259","0.0002","90","","90","","90","","1752.64","0.04","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C80 H84 B4 F8 O12 -","4","0.5","","Guoqing Zhang; Jiwei Lu; Michal Sabat; Cassandra L. Fraser","Polymorphism and Reversible Mechanochromic Luminescence for Solid-State Difluoroboron Avobenzone","Journal of the American Chemical Society","2010","132","","2160","2162","10.1021/ja9097719","","","0.71073","MoKα","","0.0606","0.054","","","0.1795","0.1879","","","","","","1.017","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101915","24.448","0.003","7.0594","0.0008","10.29","0.001","90","","94.303","0.004","90","","1770.9","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C80 H84 B4 F8 O12 -","4","1","","Guoqing Zhang; Jiwei Lu; Michal Sabat; Cassandra L. Fraser","Polymorphism and Reversible Mechanochromic Luminescence for Solid-State Difluoroboron Avobenzone","Journal of the American Chemical Society","2010","132","","2160","2162","10.1021/ja9097719","","","0.71073","MoKα","","0.1939","0.0956","","","0.2312","0.2719","","","","","","1.295","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101916","28.464","0.003","14.0417","0.0014","9.3917","0.0009","90","","90","","90","","3753.7","0.7","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tris(N,N-dimethylaminodiboranato)erbium(III)","","- C12 H72 B12 Er2 N6 -","- C12 H72 B12 Er2 N6 -","- C48 H288 B48 Er8 N24 -","4","1","","Scott R. Daly; Do Young Kim; Yu Yang; John R. Abelson; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates: Highly Volatile Precursors for the Deposition of Lanthanide-Containing Thin Films","Journal of the American Chemical Society","2010","132","","2106","2107","10.1021/ja9098005","","","0.71073","MoKα","","0.1403","0.0476","","","0.0612","0.0762","","","","","","0.712","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101917","12.3657","0.0005","10.8176","0.0005","14.6115","0.0006","90","","96.022","0.002","90","","1943.75","0.14","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H36 B6 N3 Pr -","- C6 H36 B6 N3 Pr -","- C24 H144 B24 N12 Pr4 -","4","1","","Scott R. Daly; Do Young Kim; Yu Yang; John R. Abelson; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates: Highly Volatile Precursors for the Deposition of Lanthanide-Containing Thin Films","Journal of the American Chemical Society","2010","132","","2106","2107","10.1021/ja9098005","","","0.71073","MoKα","","0.0206","0.017","","","0.0401","0.0421","","","","","","1.049","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101918","15.8615","0.0006","10.1549","0.0004","11.3788","0.0004","90","","96.744","0.001","90","","1820.12","0.12","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H36 B6 N3 Sm -","- C6 H36 B6 N3 Sm -","- C24 H144 B24 N12 Sm4 -","4","1","","Scott R. Daly; Do Young Kim; Yu Yang; John R. Abelson; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates: Highly Volatile Precursors for the Deposition of Lanthanide-Containing Thin Films","Journal of the American Chemical Society","2010","132","","2106","2107","10.1021/ja9098005","","","0.71073","MoKα","","0.0321","0.0314","","","0.0843","0.0849","","","","","","1.15","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101919","3.8333","0.0011","3.8333","0.0011","12.554","0.004","90","","90","","90","","184.47","0.1","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- Cu0.21 Ga0.05 La0.198 Ni0.74 O4.21 Pr1.802 -","- Cu0.21 Ga0.05 La0.198 Ni0.74 O4.21 Pr1.802 -","- Cu0.42 Ga0.1 La0.396 Ni1.48 O8.42 Pr3.604 -","2","0.0625","","Masatomo Yashima; Nuansaeng Sirikanda; Tatsumi Ishihara","Crystal Structure, Diffusion Path, and Oxygen Permeability of a Pr2NiO4- Based Mixed Conductor (Pr0.9La0.1)2(Ni0.74Cu0.21Ga0.05)O4+δ","Journal of the American Chemical Society","2010","132","","2385","2392","10.1021/ja909820h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101920","3.8245","0.002","3.8245","0.002","12.5592","0.0064","90","","90","","90","","183.7","0.16","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- Cu0.15 Ga0.05 La0.198 Ni0.8 O4.232 Pr1.802 -","- Cu0.15 Ga0.05 La0.198 Ni0.8 O4.232 Pr1.802 -","- Cu0.3 Ga0.1 La0.396 Ni1.6 O8.464 Pr3.604 -","2","0.0625","","Masatomo Yashima; Nuansaeng Sirikanda; Tatsumi Ishihara","Crystal Structure, Diffusion Path, and Oxygen Permeability of a Pr2NiO4- Based Mixed Conductor (Pr0.9La0.1)2(Ni0.74Cu0.21Ga0.05)O4+δ","Journal of the American Chemical Society","2010","132","","2385","2392","10.1021/ja909820h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101921","3.836","0.002","3.836","0.002","12.611","0.0066","90","","90","","90","","185.57","0.17","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- Cu0.22 Ga0.05 La Ni0.73 O4.208 Pr -","- Cu0.22 Ga0.05 La2 Ni0.73 O4.208 Pr2 -","- Cu0.44 Ga0.1 La4 Ni1.46 O8.416 Pr4 -","2","0.0625","","Masatomo Yashima; Nuansaeng Sirikanda; Tatsumi Ishihara","Crystal Structure, Diffusion Path, and Oxygen Permeability of a Pr2NiO4- Based Mixed Conductor (Pr0.9La0.1)2(Ni0.74Cu0.21Ga0.05)O4+δ","Journal of the American Chemical Society","2010","132","","2385","2392","10.1021/ja909820h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101922","3.8557","0.0023","3.8557","0.0023","12.6765","0.0075","90","","90","","90","","188.45","0.19","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- Cu0.23 Ga0.05 La0.198 Ni0.72 O4.176 Pr1.802 -","- Cu0.23 Ga0.05 La0.198 Ni0.72 O4.176 Pr1.802 -","- Cu0.46 Ga0.1 La0.396 Ni1.44 O8.352 Pr3.604 -","2","0.0625","","Masatomo Yashima; Nuansaeng Sirikanda; Tatsumi Ishihara","Crystal Structure, Diffusion Path, and Oxygen Permeability of a Pr2NiO4- Based Mixed Conductor (Pr0.9La0.1)2(Ni0.74Cu0.21Ga0.05)O4+δ","Journal of the American Chemical Society","2010","132","","2385","2392","10.1021/ja909820h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101923","3.8746","0.0026","3.8746","0.0026","12.7384","0.0087","90","","90","","90","","191.2","0.2","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- Cu0.21 Ga0.05 La0.198 Ni0.74 O4.152 Pr1.802 -","- Cu0.21 Ga0.05 La0.198 Ni0.74 O4.152 Pr1.802 -","- Cu0.42 Ga0.1 La0.396 Ni1.48 O8.304 Pr3.604 -","2","0.0625","","Masatomo Yashima; Nuansaeng Sirikanda; Tatsumi Ishihara","Crystal Structure, Diffusion Path, and Oxygen Permeability of a Pr2NiO4- Based Mixed Conductor (Pr0.9La0.1)2(Ni0.74Cu0.21Ga0.05)O4+δ","Journal of the American Chemical Society","2010","132","","2385","2392","10.1021/ja909820h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101924","39.112","0.003","18.9019","0.0012","27.3436","0.0018","90","","114.308","0.001","90","","18423","2","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H16 Cu2 F40 N8 O2 -","- C88 H16 Cu2 F40 N8 O2 -","- C704 H128 Cu16 F320 N64 O16 -","8","1","","Shohei Saito; Ko Furukawa; Atsuhiro Osuka","Fully π-Conjugated Helices from Oxidative Cleavage of meso-Aryl-Substituted Expanded Porphyrins","Journal of the American Chemical Society","2010","132","","2128","2129","10.1021/ja909929s","","","0.71073","MoKα","","0.0779","0.0555","","","0.1429","0.1528","","","","","","0.972","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101925","14.78","0.005","15.482","0.005","20.108","0.005","97.239","0.005","95.604","0.005","117.085","0.005","4001","2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H20 Cl3 Cu2 F35 N7 O2 -","- C80 H20 Cl3 Cu2 F35 N7 O2 -","- C160 H40 Cl6 Cu4 F70 N14 O4 -","2","1","","Shohei Saito; Ko Furukawa; Atsuhiro Osuka","Fully π-Conjugated Helices from Oxidative Cleavage of meso-Aryl-Substituted Expanded Porphyrins","Journal of the American Chemical Society","2010","132","","2128","2129","10.1021/ja909929s","","","0.71069","MoKα","","0.1267","0.0856","","","0.2262","0.2429","","","","","","1.087","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101926","7.4212","0.0002","9.9724","0.0003","23.8171","0.0006","90","","90","","90","","1762.64","0.08","298.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Fe O P -","- C20 H23 Fe O P -","- C80 H92 Fe4 O4 P4 -","4","1","","Masamichi Ogasawara; Susumu Watanabe; Kiyohiko Nakajima; Tamotsu Takahashi","Enantioselective Synthesis of Planar-Chiral Phosphaferrocenes by Molybdenum-Catalyzed Asymmetric Interannular Ring-Closing Metathesis","Journal of the American Chemical Society","2010","132","","2136","2137","10.1021/ja910348z","","","0.71075","MoKα","","","0.0529","","","","0.0503","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101927","10.342","0.0008","13.7425","0.0011","15.7297","0.0013","83.491","0.001","81.063","0.001","68.663","0.001","2053.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H63 N4 Nb O3 -","- C42 H63 N4 Nb O3 -","- C84 H126 N8 Nb2 O6 -","2","1","","Jared S. Silvia; Christopher C. Cummins","Ligand-Based Reduction of CO2 to CO Mediated by an Anionic Niobium Nitride Complex","Journal of the American Chemical Society","2010","132","","2169","2171","10.1021/ja910445r","","","0.71073","MoKα","","0.0515","0.037","","","0.0793","0.0861","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101928","15.8479","0.0017","19.368","0.002","20.954","0.002","90","","107.012","0.002","90","","6150.2","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H94 N4 Na Nb O10 -","- C60 H94 N4 Na Nb O10 -","- C240 H376 N16 Na4 Nb4 O40 -","4","1","","Jared S. Silvia; Christopher C. Cummins","Ligand-Based Reduction of CO2 to CO Mediated by an Anionic Niobium Nitride Complex","Journal of the American Chemical Society","2010","132","","2169","2171","10.1021/ja910445r","","","0.71073","MoKα","","0.0916","0.0429","","","0.0865","0.1058","","","","","","1.002","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101929","19.4174","0.0015","12.2901","0.001","16.7769","0.0013","90","","96.863","0.002","90","","3975","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H61 N4 Nb O3.5 -","- C41 H61 N4 Nb O3.5 -","- C164 H244 N16 Nb4 O14 -","4","1","","Jared S. Silvia; Christopher C. Cummins","Ligand-Based Reduction of CO2 to CO Mediated by an Anionic Niobium Nitride Complex","Journal of the American Chemical Society","2010","132","","2169","2171","10.1021/ja910445r","","","0.71073","MoKα","","0.0696","0.0424","","","0.0907","0.1037","","","","","","1.022","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101930","24.8859","0.0014","24.8859","0.0014","15.1743","0.0017","90","","90","","90","","9397.6","1.3","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C37.5 H41.5 N4.5 O12.5 Zn3 -","- C37.5 H38 N4.5 O12.5 Zn3 -","- C300 H304 N36 O100 Zn24 -","8","1","","Ming-Hua Zeng; Qiang-Xin Wang; Yan-Xi Tan; Sheng Hu; Hai-Xia Zhao; La-Sheng Long; Mohamedally Kurmoo","Rigid Pillars and Double Walls in a Porous Metal-Organic Framework: Single-Crystal to Single-Crystal, Controlled Uptake and Release of Iodine and Electrical Conductivity","Journal of the American Chemical Society","2010","132","","2561","2563","10.1021/ja908293n","","","0.71073","MoKα","","0.0886","0.0468","","","0.1126","0.1437","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101931","17.6776","0.001","17.6776","0.001","15.133","0.0018","90","","90","","90","","4729","0.7","173","2","173","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C30 H24 N2 O10 Zn3 -","- C30 H24 N2 O10 Zn3 -","- C120 H96 N8 O40 Zn12 -","4","0.5","","Ming-Hua Zeng; Qiang-Xin Wang; Yan-Xi Tan; Sheng Hu; Hai-Xia Zhao; La-Sheng Long; Mohamedally Kurmoo","Rigid Pillars and Double Walls in a Porous Metal-Organic Framework: Single-Crystal to Single-Crystal, Controlled Uptake and Release of Iodine and Electrical Conductivity","Journal of the American Chemical Society","2010","132","","2561","2563","10.1021/ja908293n","","","0.71073","MoKα","","0.0499","0.0422","","","0.1363","0.1455","","","","","","1.125","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101932","9.6137","0.0019","9.816","0.002","12.382","0.003","72.737","0.004","67.724","0.003","70.553","0.004","999.9","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cl2 O4 S -","- C21 H18 Cl2 O4 S -","- C42 H36 Cl4 O8 S2 -","2","1","","Jarrod W. Johnson; Michael Gretes; Valerie J. Goodfellow; Laura Marrone; Miriam L. Heynen; Natalie C. J. Strynadka; Gary I. Dmitrienko","Cyclobutanone Analogues of β-Lactams Revisited: Insights into Conformational Requirements for Inhibition of Serine- and Metallo-β-Lactamases","Journal of the American Chemical Society","2010","132","","2558","2560","10.1021/ja9086374","","","0.71073","MoKα","","0.0393","0.0361","","","0.0881","0.09","","","","","","1.243","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101933","7.6143","0.0004","7.8046","0.0004","9.7974","0.0005","81.357","0.001","86.361","0.001","72.665","0.001","549.36","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Cl2 O4 S -","- C8 H8 Cl2 O4 S -","- C16 H16 Cl4 O8 S2 -","2","1","","Jarrod W. Johnson; Michael Gretes; Valerie J. Goodfellow; Laura Marrone; Miriam L. Heynen; Natalie C. J. Strynadka; Gary I. Dmitrienko","Cyclobutanone Analogues of β-Lactams Revisited: Insights into Conformational Requirements for Inhibition of Serine- and Metallo-β-Lactamases","Journal of the American Chemical Society","2010","132","","2558","2560","10.1021/ja9086374","","","0.71073","MoKα","","0.0472","0.0408","","","0.094","0.0982","","","","","","1.181","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101934","12.0074","0.0017","9.2141","0.0013","10.8132","0.0016","90","","112.413","0.002","90","","1106","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cl2 O4 S -","- C8 H8 Cl2 O4 S -","- C32 H32 Cl8 O16 S4 -","4","1","","Jarrod W. Johnson; Michael Gretes; Valerie J. Goodfellow; Laura Marrone; Miriam L. Heynen; Natalie C. J. Strynadka; Gary I. Dmitrienko","Cyclobutanone Analogues of β-Lactams Revisited: Insights into Conformational Requirements for Inhibition of Serine- and Metallo-β-Lactamases","Journal of the American Chemical Society","2010","132","","2558","2560","10.1021/ja9086374","","","0.71073","MoKα","","0.0621","0.0414","","","0.0736","0.0819","","","","","","1.165","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101935","7.464","0.003","10.568","0.004","11.51","0.004","90","","101.187","0.005","90","","890.7","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 Cl2 O3 S -","- C7 H4 Cl2 O3 S -","- C28 H16 Cl8 O12 S4 -","4","1","","Jarrod W. Johnson; Michael Gretes; Valerie J. Goodfellow; Laura Marrone; Miriam L. Heynen; Natalie C. J. Strynadka; Gary I. Dmitrienko","Cyclobutanone Analogues of β-Lactams Revisited: Insights into Conformational Requirements for Inhibition of Serine- and Metallo-β-Lactamases","Journal of the American Chemical Society","2010","132","","2558","2560","10.1021/ja9086374","","","0.71073","MoKα","","0.0352","0.0316","","","0.0982","0.1012","","","","","","1.319","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101936","10.0564","0.0004","9.5585","0.0004","17.2269","0.0007","90","","98.8441","0.0018","90","","1636.23","0.12","15","2","15","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0671","0.0482","","","0.1319","0.1493","","","","","","1.071","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101937","10.0768","0.0004","9.5915","0.0004","17.2589","0.0006","90","","98.9481","0.0004","90","","1647.8","0.11","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0557","0.0465","","","0.1304","0.1385","","","","","","1.064","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101938","10.085","0.0003","9.592","0.0003","17.2635","0.0005","90","","98.9476","0.0004","90","","1649.67","0.09","110","2","110","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0563","0.0468","","","0.1311","0.1392","","","","","","1.066","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101939","10.0893","0.0004","19.1848","0.0007","17.2652","0.0006","90","","98.9288","0.0006","90","","3301.4","0.2","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C192 H128 B4 N8 O8 -","4","1","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.1023","0.0794","","","0.2356","0.2682","","","","","","1.082","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101940","10.0928","0.0004","19.1906","0.0007","17.2656","0.0006","90","","98.9185","0.0006","90","","3303.7","0.2","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C192 H128 B4 N8 O8 -","4","1","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0908","0.0688","","","0.2053","0.2319","","","","","","1.069","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101941","10.0971","0.0003","19.2119","0.0006","17.2693","0.0006","90","","98.9174","0.0005","90","","3309.48","0.18","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C192 H128 B4 N8 O8 -","4","1","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0822","0.0606","","","0.1788","0.2007","","","","","","1.059","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101942","10.0955","0.0003","19.2247","0.0006","17.2688","0.0006","90","","98.9312","0.0005","90","","3310.94","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C192 H128 B4 N8 O8 -","4","1","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0763","0.0596","","","0.1705","0.1911","","","","","","1.037","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101943","10.0904","0.0003","19.262","0.0006","17.2721","0.0005","90","","98.9678","0.0005","90","","3315.99","0.17","165","2","165","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C192 H128 B4 N8 O8 -","4","1","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0871","0.0595","","","0.1745","0.2013","","","","","","1.05","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101944","10.0865","0.0003","9.6443","0.0003","17.2734","0.0005","90","","98.9999","0.0005","90","","1659.62","0.09","175","2","175","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.057","0.0457","","","0.132","0.1418","","","","","","1.086","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101945","10.0856","0.0003","9.6576","0.0003","17.2759","0.0005","90","","99.0203","0.0004","90","","1661.91","0.09","185","2","185","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0566","0.0452","","","0.128","0.1374","","","","","","1.086","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101946","10.0785","0.0004","9.6735","0.0004","17.2616","0.0007","90","","99.0046","0.0007","90","","1662.17","0.12","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0613","0.0466","","","0.1291","0.1397","","","","","","1.087","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101947","10.0913","0.0005","9.7249","0.0005","17.2789","0.0008","90","","99.1054","0.0008","90","","1674.33","0.14","250","2","250","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0602","0.0454","","","0.1293","0.1411","","","","","","1.089","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101948","10.0982","0.001","9.7433","0.001","17.2806","0.0017","90","","99.1317","0.0016","90","","1678.7","0.3","270","2","270","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0605","0.0449","","","0.1271","0.1401","","","","","","1.065","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101949","10.096","0.002","9.766","0.002","17.292","0.004","90","","99.234","0.003","90","","1682.9","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H32 B N2 O2 -","- C48 H32 B N2 O2 -","- C96 H64 B2 N4 O4 -","2","0.5","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.0591","0.0461","","","0.135","0.1481","","","","","","1.073","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101950","26.407","0.004","18.084","0.003","24.867","0.004","90","","113.731","0.008","90","","10871","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72.6 H53.2 B2 Cl1.2 N2 O2 -","- C72.6 H53.2 B2 Cl1.2 N2 O2 -","- C580.8 H425.6 B16 Cl9.6 N16 O16 -","8","1","","Pradip Bag; Mikhail E. Itkis; Sushanta K. Pal; Bruno Donnadieu; Fook S. Tham; Hyunsoo Park; John A. Schlueter; Theo Siegrist; Robert C. Haddon","Resonating Valence Bond and σ-Charge Density Wave Phases in a Benzannulated Phenalenyl Radical","Journal of the American Chemical Society","2010","132","","2684","2694","10.1021/ja908768a","","","0.71073","MoKα","","0.071","0.0547","","","0.1492","0.1631","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101951","9.534","0.0009","11.8513","0.0012","41.303","0.004","90","","93.213","0.002","90","","4659.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H56 O4 Zr -","- C52 H56 O4 Zr -","- C208 H224 O16 Zr4 -","4","1","","Yuetao Zhang; Yalan Ning; Lucia Caporaso; Luigi Cavallo; Eugene Y.-X. Chen","Catalyst-Site-Controlled Coordination Polymerization of Polar Vinyl Monomers to Highly Syndiotactic Polymers","Journal of the American Chemical Society","2010","132","","2695","2709","10.1021/ja908818y","","","0.71073","MoKα","","0.1076","0.0555","","","0.1279","0.1517","","","","","","0.986","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101952","10.831","0.0004","12.479","0.0004","14.1278","0.0005","90.664","0.002","111.403","0.002","113.539","0.002","1601.97","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 O4 Si Zr -","- C34 H44 O4 Si Zr -","- C68 H88 O8 Si2 Zr2 -","2","1","","Yuetao Zhang; Yalan Ning; Lucia Caporaso; Luigi Cavallo; Eugene Y.-X. Chen","Catalyst-Site-Controlled Coordination Polymerization of Polar Vinyl Monomers to Highly Syndiotactic Polymers","Journal of the American Chemical Society","2010","132","","2695","2709","10.1021/ja908818y","","","0.71073","MoKα","","0.0383","0.0299","","","0.0737","0.078","","","","","","1.03","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101953","21.9236","","21.9236","","10.0361","","90","","90","","120","","4177.53","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101954","20.0129","","20.0129","","11.9485","","90","","90","","120","","4144.42","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101955","14.6614","","14.6614","","22.7128","","90","","90","","120","","4228.17","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101956","21.1499","","21.1499","","10.9707","","90","","90","","120","","4249.93","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101957","8.3762","","5.1455","","21.9095","","90","","109.281","","90","","891.327","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101958","23.4015","","23.4015","","9.2166","","90","","90","","120","","4371.08","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101959","17.1461","","5.0284","","11.0202","","90","","109.469","","90","","895.808","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101960","4.5362","","12.2286","","16.2915","","90","","90","","90","","903.712","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101961","22.7159","","22.7159","","9.2069","","90","","90","","120","","4114.38","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101962","23.2015","","8.6198","","4.5444","","90","","90","","90","","908.845","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101963","12.1203","","16.1584","","4.6365","","90","","90","","90","","908.034","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101964","17.8291","","4.5894","","24.0942","","90","","69.6837","","90","","1848.86","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101965","17.1957","","4.6403","","12.03","","90","","109.939","","90","","902.369","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101966","22.8234","","4.7105","","17.6462","","90","","73.2208","","90","","1816.36","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101967","26.4489","","4.6486","","16.7492","","90","","116.586","","90","","1841.57","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101968","19.9525","","4.5351","","11.0565","","90","","68.2256","","90","","929.083","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101969","24.2387","","4.6525","","18.1098","","90","","115.793","","90","","1838.79","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101970","24.4512","","4.6442","","16.7109","","90","","105.874","","90","","1825.26","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101971","12.5972","","4.7007","","16.3407","","90","","109.644","","90","","911.31","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101972","26.465","0.005","15.938","0.003","17.596","0.003","90","","100.824","0.002","90","","7290","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H47 Cl6 N2 P Ru -","- C30.5 H47 Cl6 N2 P Ru -","- C244 H376 Cl48 N16 P8 Ru8 -","8","1","","Erin M. Leitao; Edwin F. van der Eide; Patricio E. Romero; Warren, E. Piers; Robert McDonald","Kinetic and Thermodynamic Analysis of Processes Relevant to Initiation of Olefin Metathesis by Ruthenium Phosphonium Alkylidene Catalysts","Journal of the American Chemical Society","2010","132","","2784","2794","10.1021/ja910112m","","","0.71073","MoKα","","0.051","0.0429","","","0.1155","0.1215","","","","","","1.071","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101973","14.2155","0.0018","21.905","0.003","16.828","0.002","90","","105.471","0.002","90","","5050.2","1.1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H55 Cl12 N2 P Ru -","- C36 H53 Cl6 N2 P Ru -","- C144 H212 Cl24 N8 P4 Ru4 -","4","1","","Erin M. Leitao; Edwin F. van der Eide; Patricio E. Romero; Warren, E. Piers; Robert McDonald","Kinetic and Thermodynamic Analysis of Processes Relevant to Initiation of Olefin Metathesis by Ruthenium Phosphonium Alkylidene Catalysts","Journal of the American Chemical Society","2010","132","","2784","2794","10.1021/ja910112m","","","0.71073","MoKα","","0.0669","0.0493","","","0.131","0.1397","","","","","","1.036","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101974","10.4582","0.0007","11.9788","0.0008","12.9774","0.0008","91.148","0.001","97.368","0.001","111.967","0.001","1491.19","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H31 Cl2 Mn N7 O8 -","- C23 H31 Cl2 Mn N7 O8 -","- C46 H62 Cl4 Mn2 N14 O16 -","2","1","","Robert A. Geiger; Swarup Chattopadhyay; Victor W. Day; Timothy A. Jackson","A Series of Peroxomanganese(III) Complexes Supported by Tetradentate Aminopyridyl Ligands: Detailed Spectroscopic and Computational Studies","Journal of the American Chemical Society","2010","132","","2821","2831","10.1021/ja910235g","","","0.71073","MoKα","","0.0649","0.0467","","","0.106","0.1123","","","","","","1.019","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101975","9.8008","0.0005","17.9804","0.001","15.157","0.0008","90","","96.511","0.001","90","","2653.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Br2 Cl2 Mn N4 O9 -","- C20 H26 Br2 Cl2 Mn N4 O9 -","- C80 H104 Br8 Cl8 Mn4 N16 O36 -","4","1","","Robert A. Geiger; Swarup Chattopadhyay; Victor W. Day; Timothy A. Jackson","A Series of Peroxomanganese(III) Complexes Supported by Tetradentate Aminopyridyl Ligands: Detailed Spectroscopic and Computational Studies","Journal of the American Chemical Society","2010","132","","2821","2831","10.1021/ja910235g","","","0.71073","MoKα","","0.0603","0.0402","","","0.0854","0.0908","","","","","","1.017","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101976","18.169","0.002","9.8793","0.0013","14.5449","0.0019","90","","104.277","0.002","90","","2530.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Cl2 Mn N5 O8 -","- C21 H29 Cl2 Mn N5 O8 -","- C84 H116 Cl8 Mn4 N20 O32 -","4","1","","Robert A. Geiger; Swarup Chattopadhyay; Victor W. Day; Timothy A. Jackson","A Series of Peroxomanganese(III) Complexes Supported by Tetradentate Aminopyridyl Ligands: Detailed Spectroscopic and Computational Studies","Journal of the American Chemical Society","2010","132","","2821","2831","10.1021/ja910235g","","","0.71073","MoKα","","0.0617","0.0479","","","0.1004","0.1065","","","","","","1.043","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101977","13.6307","0.0012","10.7548","0.001","17.2017","0.0016","90","","109.022","0.001","90","","2384","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 Cl2 Mn N4 O10 -","- C19 H28 Cl2 Mn N4 O10 -","- C76 H112 Cl8 Mn4 N16 O40 -","4","0.5","","Robert A. Geiger; Swarup Chattopadhyay; Victor W. Day; Timothy A. Jackson","A Series of Peroxomanganese(III) Complexes Supported by Tetradentate Aminopyridyl Ligands: Detailed Spectroscopic and Computational Studies","Journal of the American Chemical Society","2010","132","","2821","2831","10.1021/ja910235g","","","0.71073","MoKα","","0.0538","0.0532","","","0.1254","0.1258","","","","","","1.107","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101978","8.0826","0.0017","8.2727","0.0017","11.499","0.002","93.787","0.002","96.492","0.002","91.748","0.002","761.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C34 H46 N2 O4 S2 -","2","1","","Michal Szostak; Jeffrey Aubé","Synthesis, Structural Analysis, and Reactivity of Bridged Orthoamides by Intramolecular Schmidt Reaction","Journal of the American Chemical Society","2010","132","","2530","2531","10.1021/ja910654t","","","0.71073","MoKα","","0.0578","0.0503","","","0.1251","0.1312","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101979","6.596","0.011","13.08","0.02","11.167","0.018","90","","101.73","0.02","90","","943","3","94","2","94","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Cl N2 O4 -","- C9 H5 Cl N2 O4 -","- C36 H20 Cl4 N8 O16 -","4","1","","Chambers C. Hughes; William Fenical","Total Synthesis of the Ammosamides","Journal of the American Chemical Society","2010","132","","2528","2529","10.1021/ja9106572","","","0.71073","MoKα","","0.0484","0.0377","","","0.0952","0.1029","","","","","","1.052","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101980","5.4308","0.0009","15.24","0.003","12.964","0.002","90","","98.362","0.003","90","","1061.6","0.3","223.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Br O7 -","- C23 H23 Br O7 -","- C46 H46 Br2 O14 -","2","1","","Christina M. Woo; Liang Lu; Shivajirao L. Gholap; Devin R. Smith; Seth B. Herzon","Development of a Convergent Entry to the Diazofluorene Antitumor Antibiotics: Enantioselective Synthesis of Kinamycin F","Journal of the American Chemical Society","2010","132","","2540","2541","10.1021/ja910769j","","","0.71075","MoKα","","","0.049","","","","0.1152","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101981","12.2291","0.0001","13.0394","0.0002","16.4212","0.0003","94.7085","0.0008","106.87","0.0006","104.595","0.0006","2390.68","0.06","103","2","103","","","","","","","","","4","P -1","-P 1","2","","","","- C74 H162 O2 Si16 -","- C74 H162 O2 Si16 -","- C74 H162 O2 Si16 -","1","0.5","","Joon Soo Han; Takahiro Sasamori; Yoshiyuki Mizuhata; Norihiro Tokitoh","Reactivity of an Aryl-Substituted Silicon-Silicon Triple Bond: Reactions of a 1,2-Diaryldisilyne with Alkenes","Journal of the American Chemical Society","2010","132","","2546","2547","10.1021/ja9108566","","","0.71075","MoKα","","0.0388","0.0358","","","0.0965","0.0994","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101982","12.9267","0.0001","12.9267","0.0001","52.8783","0.0005","90","","90","","90","","8835.94","0.13","103","2","103","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C66 H144 Si16 -","- C66 H144 Si16 -","- C264 H576 Si64 -","4","0.5","","Joon Soo Han; Takahiro Sasamori; Yoshiyuki Mizuhata; Norihiro Tokitoh","Reactivity of an Aryl-Substituted Silicon-Silicon Triple Bond: Reactions of a 1,2-Diaryldisilyne with Alkenes","Journal of the American Chemical Society","2010","132","","2546","2547","10.1021/ja9108566","","","0.71069","MoKα","","0.0444","0.0436","","","0.1115","0.1121","","","","","","1.217","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101983","12.4662","0.0002","20.0362","0.0003","20.7134","0.0004","107.94","0.0008","104.952","0.0008","98.7788","0.0007","4601.42","0.14","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H158 Si16 -","- C72 H158 Si16 -","- C144 H316 Si32 -","2","1","","Joon Soo Han; Takahiro Sasamori; Yoshiyuki Mizuhata; Norihiro Tokitoh","Reactivity of an Aryl-Substituted Silicon-Silicon Triple Bond: Reactions of a 1,2-Diaryldisilyne with Alkenes","Journal of the American Chemical Society","2010","132","","2546","2547","10.1021/ja9108566","","","0.71069","MoKα","","0.0699","0.0546","","","0.1472","0.158","","","","","","1.023","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101984","20.401","0.003","12.8736","0.0018","24.692","0.003","90","","96.779","0.002","90","","6439.6","1.5","85","2","85","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Cl2 F8 N2 O3 Pd S -","- C28 H32 Cl2 F8 N2 O3 Pd S -","- C224 H256 Cl16 F64 N16 O24 Pd8 S8 -","8","1","","Nicholas D. Ball; Jeff W. Kampf; Melanie S. Sanford","Aryl-CF3 Bond-Forming Reductive Elimination from Palladium(IV)","Journal of the American Chemical Society","2010","132","","2878","2879","10.1021/ja100955x","","","0.71073","MoKα","","0.0921","0.0674","","","0.1202","0.1274","","","","","","1.159","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101985","24.61","0.002","11.1558","0.0009","22.8484","0.0019","90","","111.649","0.001","90","","5830.4","0.8","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Co8 N2 O26 Pt4 -","- C42 H40 Co8 N2 O26 Pt3.9986 -","- C168 H160 Co32 N8 O104 Pt15.9944 -","4","0.5","","Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Joanna Wolowska; Stefano Zacchini; Piero Zanello; Serena Fedi; Mauro Riccò; Daniele Pontiroli; Marcello Mazzani","Magnetic Behavior of Odd- and Even-Electron Metal Carbonyl Clusters: The Case Study of [Co8Pt4C2(CO)24]n- (n = 1, 2) Carbide Cluster","Journal of the American Chemical Society","2010","132","","2919","2927","10.1021/ja907608c","","","0.71073","MoKα","","0.0524","0.0431","","","0.1121","0.1192","","","","","","1.03","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101986","19.0519","0.0013","11.716","0.0008","11.4645","0.0008","90","","104.814","0.001","90","","2474","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H16 Co8 N O24 Pt4 -","- C37 H16 Co8 N O24 Pt4.0014 -","- C74 H32 Co16 N2 O48 Pt8.0028 -","2","0.25","","Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Joanna Wolowska; Stefano Zacchini; Piero Zanello; Serena Fedi; Mauro Riccò; Daniele Pontiroli; Marcello Mazzani","Magnetic Behavior of Odd- and Even-Electron Metal Carbonyl Clusters: The Case Study of [Co8Pt4C2(CO)24]n- (n = 1, 2) Carbide Cluster","Journal of the American Chemical Society","2010","132","","2919","2927","10.1021/ja907608c","","","0.71073","MoKα","","0.0289","0.0228","","","0.0506","0.0528","","","","","","1.056","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101987","11.1326","0.0004","30.3345","0.0011","21.2296","0.0008","90","","99.722","0.001","90","","7066.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H52 Co8 N2 O26 Pt4 -","- C57.5 H52 Co7.99 N2 O26 Pt4 -","- C230 H208 Co31.96 N8 O104 Pt16 -","4","1","","Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Joanna Wolowska; Stefano Zacchini; Piero Zanello; Serena Fedi; Mauro Riccò; Daniele Pontiroli; Marcello Mazzani","Magnetic Behavior of Odd- and Even-Electron Metal Carbonyl Clusters: The Case Study of [Co8Pt4C2(CO)24]n- (n = 1, 2) Carbide Cluster","Journal of the American Chemical Society","2010","132","","2919","2927","10.1021/ja907608c","","","0.71073","MoKα","","0.1378","0.0607","","","0.1434","0.1818","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101988","22.16888","0.00019","4.71127","0.00005","20.16462","0.00023","90","","126.403","0.0005","90","","1695.1","0.03","","","295","","","","","","","","from green tea","3","C 1 2 1","C 2y","5","catechin","(+)-catechin","","- C15 H23 O10.5 -","- C15 H15 O10.5 -","- C60 H60 O42 -","4","1","","James K. Harper; Jennifer A. Doebbler; Elisabeth Jacques; David M. Grant; Robert B. Von Dreele","A Combined Solid-State NMR and Synchrotron X-ray Diffraction Powder Study on the Structure of the Antioxidant (+)-Catechin 4.5-hydrate.","Journal of the American Chemical Society","2010","132","","2928","2937","10.1021/ja907671p","powder diffraction","x-ray","0.813386","","","","","","","","","0.2215","","1.36","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4101989","7.7377","0.0015","23.547","0.005","11.699","0.002","90","","102.15","0.03","90","","2083.8","0.7","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H26 N2 O3 -","- C26 H26 N2 O3 -","- C104 H104 N8 O12 -","4","1","","Erica L. Campbell; Andrea M. Zuhl; Christopher M. Liu; Dale L. Boger","Total Synthesis of (+)-Fendleridine (Aspidoalbidine) and (+)-1-Acetylaspidoalbidine","Journal of the American Chemical Society","2010","132","","3009","3012","10.1021/ja908819q","","","0.71073","MoKα","","0.1441","0.0707","","","0.0709","0.0866","","","","","","1.001","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4101990","7.9428","0.0016","27.42","0.006","40.909","0.008","90","","90","","90","","8910","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36.67 N2 O4.33 S2 -","- C30 H35.3333 N2 O4.33333 S2 -","- C360 H424 N24 O52 S24 -","12","3","","Erica L. Campbell; Andrea M. Zuhl; Christopher M. Liu; Dale L. Boger","Total Synthesis of (+)-Fendleridine (Aspidoalbidine) and (+)-1-Acetylaspidoalbidine","Journal of the American Chemical Society","2010","132","","3009","3012","10.1021/ja908819q","","","0.71073","MoKα","","0.1836","0.099","","","0.2048","0.251","","","","","","0.994","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101991","15.727","0.003","16.547","0.003","18.515","0.004","90.84","0.03","92.62","0.03","117.68","0.03","4258.9","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C103.12 H153.28 Cl9.37 N20 O5.08 S20 Sn12 -","- C103.118 H151.118 Cl9.354 N20 O5.086 S20 Sn12 -","- C103.118 H151.118 Cl9.354 N20 O5.086 S20 Sn12 -","1","0.5","","Zohreh Hassanzadeh Fard; Mohammad Reza Halvagar; Stefanie Dehnen","Directed Formation of an Organotin Sulfide Cavitand and Its Transformation into a Rugby-Ball-like Capsule","Journal of the American Chemical Society","2010","132","","2848","2849","10.1021/ja908917w","","","0.71073","MoKα","","0.187","0.0749","","","0.1392","0.1691","","","","","","0.756","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101992","19.434","0.004","28.124","0.006","19.367","0.004","90","","103","0.03","90","","10314","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H114 Cl6 N15 O4.5 S8 Sn8 -","- C75 H104 Cl6 N15 O4.5 S8 Sn8 -","- C300 H416 Cl24 N60 O18 S32 Sn32 -","4","1","","Zohreh Hassanzadeh Fard; Mohammad Reza Halvagar; Stefanie Dehnen","Directed Formation of an Organotin Sulfide Cavitand and Its Transformation into a Rugby-Ball-like Capsule","Journal of the American Chemical Society","2010","132","","2848","2849","10.1021/ja908917w","","","0.71073","MoKα","","0.0524","0.0464","","","0.1119","0.1143","","","","","","1.156","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101993","14.142","0.0007","13.4738","0.0006","19.9129","0.0009","90","","115.044","0.001","90","","3437.6","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 O10 Ti2 -","- C30 H52 O10 Ti2 -","- C120 H208 O40 Ti8 -","4","1","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.0462","0.0309","","","0.0779","0.0862","","","","","","1.026","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4101994","23.498","0.008","23.498","0.008","17.407","0.004","90","","90","","120","","8324","4","90","2","90","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H32 O12 Ti2 -","- C40 H32 O12 Ti2 -","- C360 H288 O108 Ti18 -","9","0.5","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.0828","0.0448","","","0.1158","0.1313","","","","","","1.349","","","","has coordinates","270822","2021-11-23","08:35:17",""
"4101995","11.7389","0.0019","12.886","0.002","18.312","0.002","94.758","0.004","90.202","0.005","116.344","0.004","2471.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H61 N3 O14 Ti3 -","- C39 H61 N3 O14 Ti3 -","- C78 H122 N6 O28 Ti6 -","2","1","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.0715","0.0465","","","0.1378","0.1621","","","","","","1.001","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101996","11.8121","0.0015","19.17","0.002","20.403","0.004","90","","94.052","0.006","90","","4608.5","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H58 N2 O16 Ti4 -","- C32 H58 N2 O16 Ti4 -","- C128 H232 N8 O64 Ti16 -","4","0.5","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.0858","0.0497","","","0.1149","0.1471","","","","","","1.064","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101997","29.6492","0.0016","29.6492","0.0016","26.4727","0.0015","90","","90","","120","","20153.7","1.9","90","2","90","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C68 H82 N6 O24 Ti6 -","- C68 H82 N6 O24 Ti6 -","- C612 H738 N54 O216 Ti54 -","9","0.5","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.0808","0.0511","","","0.1491","0.1794","","","","","","1.126","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101998","13.665","0.0017","15.023","0.003","23.14","0.005","89.508","0.006","74.253","0.006","64.397","0.005","4090.7","1.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H102 O23 Ti6 -","- C73 H102 O23 Ti6 -","- C146 H204 O46 Ti12 -","2","1","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.131","0.0498","","","0.1236","0.1721","","","","","","1.047","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4101999","15.899","0.003","23.957","0.006","32.134","0.009","99.821","0.005","98.285","0.005","104.358","0.01","11459","5","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 O48 Ti17 -","- C84 O48 Ti17 -","- C336 O192 Ti68 -","4","2","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.2354","0.0849","","","0.2307","0.3272","","","","","","0.997","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4102000","27.8184","0.0009","27.8184","0.0009","13.4328","0.0004","90","","90","","90","","10395.2","0.6","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C72 H128 N4 O48 Ti17 -","- C72 H128 N4 O48 Ti17 -","- C288 H512 N16 O192 Ti68 -","4","0.25","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.1176","0.0757","","","0.2077","0.2579","","","","","","1.142","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102001","11.5552","0.001","10.8939","0.001","16.3676","0.0014","90","","97.288","0.002","90","","2043.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F N O4 S2 -","- C21 H20 F N O4 S2 -","- C84 H80 F4 N4 O16 S8 -","4","1","","Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu","Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes","Journal of the American Chemical Society","2010","132","","2856","2857","10.1021/ja909716k","","","0.71073","MoKα","","0.0666","0.0493","","","0.1259","0.1352","","","","","","1.029","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102002","8.353","0.004","12.674","0.007","9.879","0.005","90","","108.004","0.01","90","","994.6","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H18 F N O4 S2 -","- C21 H18 F N O4 S2 -","- C42 H36 F2 N2 O8 S4 -","2","1","","Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu","Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes","Journal of the American Chemical Society","2010","132","","2856","2857","10.1021/ja909716k","","","0.71073","MoKα","","0.1524","0.1248","","","0.2978","0.323","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102003","17.108","0.004","8.685","0.002","27.413","0.006","90","","96.397","0.005","90","","4047.7","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 F N O4 S2 -","- C22 H20 F N O4 S2 -","- C176 H160 F8 N8 O32 S16 -","8","2","","Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu","Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes","Journal of the American Chemical Society","2010","132","","2856","2857","10.1021/ja909716k","","","0.71073","MoKα","","0.106","0.0526","","","0.1017","0.115","","","","","","0.814","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102004","13.417","0.0011","17.6111","0.0014","8.6693","0.0007","90","","90","","90","","2048.5","0.3","293","2","293","2","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C22 H20 F N O4 S2 -","- C22 H20 F N O4 S2 -","- C88 H80 F4 N4 O16 S8 -","4","1","","Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu","Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes","Journal of the American Chemical Society","2010","132","","2856","2857","10.1021/ja909716k","","","0.71073","MoKα","","0.047","0.0426","","","0.0992","0.1015","","","","","","0.99","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102005","14.7686","0.0012","7.8219","0.0006","17.1905","0.0014","90","","100.447","0.002","90","","1952.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 F2 N O4 S2 -","- C20 H17 F2 N O4 S2 -","- C80 H68 F8 N4 O16 S8 -","4","1","","Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu","Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes","Journal of the American Chemical Society","2010","132","","2856","2857","10.1021/ja909716k","","","0.71073","MoKα","","0.0494","0.0425","","","0.1142","0.1184","","","","","","1.037","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102006","8.6167","0.0014","10.7071","0.0017","12.271","0.002","78.669","0.003","84.33","0.003","66.61","0.002","1018.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 F N O4 S2 -","- C21 H20 F N O4 S2 -","- C42 H40 F2 N2 O8 S4 -","2","1","","Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu","Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes","Journal of the American Chemical Society","2010","132","","2856","2857","10.1021/ja909716k","","","0.71073","MoKα","","0.0498","0.0435","","","0.1207","0.1254","","","","","","1.034","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102007","8.3529","0.001","9.3193","0.0011","13.692","0.0017","105.759","0.002","94.136","0.002","102.117","0.002","993.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 F N O4 S2 -","- C21 H18 F N O4 S2 -","- C42 H36 F2 N2 O8 S4 -","2","1","","Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu","Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes","Journal of the American Chemical Society","2010","132","","2856","2857","10.1021/ja909716k","","","0.71073","MoKα","","0.0558","0.0456","","","0.1153","0.1211","","","","","","0.975","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102008","30.357","0.002","22.0294","0.0016","38.924","0.004","90","","104.353","0.002","90","","25218","4","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H28 F64 N8 O16 -","- C104 H28 F64 N8 O16 -","- C832 H224 F512 N64 O128 -","8","1","","Jong Min Lim; Jae-Yoon Shin; Yasuo Tanaka; Shohei Saito; Atsuhiro Osuka; Dongho Kim","Protonated [4n]π and [4n+2]π Octaphyrins Choose Their Möbius/Hückel Aromatic Topology","Journal of the American Chemical Society","2010","132","","3105","3114","10.1021/ja909744z","","","0.71073","MoKα","","0.139","0.0939","","","0.2698","0.2905","","","","","","1.062","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102009","34.518","0.005","25.907","0.004","15.38","0.002","90","","108.491","0.003","90","","13044","3","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C92 H24 F46 N8 O5 -","- C92 H24 F46 N8 O5 -","- C368 H96 F184 N32 O20 -","4","0.5","","Jong Min Lim; Jae-Yoon Shin; Yasuo Tanaka; Shohei Saito; Atsuhiro Osuka; Dongho Kim","Protonated [4n]π and [4n+2]π Octaphyrins Choose Their Möbius/Hückel Aromatic Topology","Journal of the American Chemical Society","2010","132","","3105","3114","10.1021/ja909744z","","","0.71073","MoKα","","0.1243","0.0725","","","0.1916","0.2108","","","","","","0.861","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102010","28.184","0.004","11.7485","0.0011","21.651","0.003","90","","97.261","0.018","90","","7111.6","1.6","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dilithium[(μ-1,4-butadiyne)bis(tricarbonyl{1,2-bis(diphenylphosphino)ethane}tungsten)]","","- C78 H80 Li2 O10 P4 W2 -","- C78 H80 Li2 O10 P4 W2 -","- C312 H320 Li8 O40 P16 W8 -","4","0.5","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.0591","0.0326","","","0.0658","0.071","","","","","","0.872","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102011","24.5678","0.0002","13.6187","0.0001","20.6625","0.0001","90","","92.2971","0.0006","90","","6907.73","0.08","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[(μ-but-2-yn-1,4-diylidyne)bis(dicarbonyl{1,2-bis(diphenylphosphino)ethane}iodotungsten)]","","- C62 H52 Cl4 I2 O4 P4 W2 -","- C62 H52 Cl4 I2 O4 P4 W2 -","- C248 H208 Cl16 I8 O16 P16 W8 -","4","0.5","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.0388","0.0246","","","0.0809","0.0857","","","","","","1.108","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102012","9.5159","0.0002","9.9084","0.0002","18.0985","0.0003","79.654","0.002","84.718","0.002","75.752","0.002","1625.03","0.06","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","[tricarbonyl(1,2-bis{diphenylphosphino}ethane)-2-phenylethynyltungsten)]","","- C37 H29 I O3 P2 W -","- C37 H29 I O3 P2 W -","- C74 H58 I2 O6 P4 W2 -","2","1","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.0233","0.0194","","","0.0446","0.0452","","","","","","1.026","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102013","11.6313","0.0005","8.9452","0.0004","27.3906","0.001","90","","94.231","0.004","90","","2842.1","0.2","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(μ-2,3-dimethylbut-2-en-1,4-diylidyne)bis(dicarbonyl{1,2-bis(diphenylphosphino)ethane}iodotungsten)]","","- C62 H54 I2 O4 P4 W2 -","- C62 H54 I2 O4 P4 W2 -","- C124 H108 I4 O8 P8 W4 -","2","0.5","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.1029","0.0505","","","0.1203","0.1564","","","","","","0.986","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102014","19.357","0.003","11.0318","0.001","30.138","0.004","90","","107.685","0.014","90","","6131.6","1.4","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[(μ-2,3-dimethylbut-2-en-1,4-diylidyne)bis(dicarbonyl{1,2-bis(diphenylphosphino)ethane}chlorotungsten)]","","- C64 H57 Cl2 N O4 P4 W2 -","- C64 H57 Cl2 N O4 P4 W2 -","- C256 H228 Cl8 N4 O16 P16 W8 -","4","0.5","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.0438","0.0388","","","0.1022","0.1052","","","","","","1.057","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102015","24.9296","0.0002","12.9619","0.0002","20.4535","0.0002","90","","92.7816","0.001","90","","6601.45","0.13","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[(μ-but-2-yn-1,4-diylidyne)bis(dicarbonyl{1,2-bis(diphenylphosphino)ethane} chlorotungsten)]","","- C66 H54 Cl2 O4 P4 W2 -","- C66 H54 Cl2 O4 P4 W2 -","- C264 H216 Cl8 O16 P16 W8 -","4","0.5","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.044","0.0288","","","0.0804","0.0849","","","","","","1.038","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102016","13.1172","0.0002","13.7047","0.0003","22.2271","0.0005","103.552","0.002","92.316","0.002","116.301","0.002","3434.31","0.14","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","[(μ-but-2-yn-1,4-diylidyne)bis(dicarbonyl{1,2-bis(diphenylphosphino)ethane}isothiocyanatetungsten)]","","- C73 H66 N2 O4 P4 S2 W2 -","- C73 H66 N2 O4 P4 S2 W2 -","- C146 H132 N4 O8 P8 S4 W4 -","2","1","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.0849","0.0404","","","0.0804","0.0928","","","","","","0.951","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102017","34.7541","0.0003","13.2842","0.0001","20.1653","0.0002","90","","96.467","0.001","90","","9250.68","0.14","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[(μ-but-2-yn-1,4-diylidyne)bis(di{1,2-bis(diphenylphosphino)ethane}iodotungsten)]","","- C434 H388 Cl4 I8 P32 W8 -","- C434 H388 Cl4 I8 P32 W8 -","- C434 H388 Cl4 I8 P32 W8 -","1","0.125","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.0328","0.0254","","","0.0675","0.069","","","","","","1.1","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102018","18.7529","0.0006","23.9809","0.0007","19.4363","0.0007","90","","115.899","0.004","90","","7862.9","0.5","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[(μ-but-2-yn-1,4-diylidyne(dicarbonyl(tri{1,2-bis(diphenylphosphinoethane)})diiodo-ditungsten)]","","- C169 H146 Cl2 I4 O4 P12 W4 -","- C169 H146 Cl2 I4 O4 P12 W4 -","- C338 H292 Cl4 I8 O8 P24 W8 -","2","0.5","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.1012","0.0462","","","0.1017","0.1371","","","","","","1.117","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102019","16.9627","0.0002","16.7625","0.0002","36.087","0.0001","90","","118.139","0.001","90","","9048.1","0.18","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[(μ-but-2-yn-1,4-diylidyne)(dicarbonyl)(tri{1,2-bis (diphenylphosphinoethane)})diiodo-ditungsten)] hexafluorophosphate","","- C185 H178 Cl2 F12 I4 O8 P14 W4 -","- C185 H178 Cl2 F12 I4 O8 P14 W4 -","- C370 H356 Cl4 F24 I8 O16 P28 W8 -","2","0.5","","Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes","Journal of the American Chemical Society","2010","132","","3115","3127","10.1021/ja909764x","","","0.71073","MoKα","","0.1383","0.0583","","","0.1331","0.1621","","","","","","0.934","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102020","14.9937","0.0004","8.5295","0.0003","32.9024","0.001","90","","91.939","0.003","90","","4205.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10,25-Diphenyl-5,15,20,30-tetramesityl-A,D-di-p-benzi[28]hexaphyrin(1.1.1.1.1.1)bis(trifluoroacetic acid) salt, tetrakis(trifluoroacetic acid) solvate","","- C94 H78 F18 N4 O12 -","- C94 H78 F18 N4 O12 -","- C188 H156 F36 N8 O24 -","2","0.5","","Marcin Stępień; Bartosz Szyszko; Lechosław Latos-Grażyński","Three-Level Topology Switching in a Molecular Möbius Band","Journal of the American Chemical Society","2010","132","","3140","3152","10.1021/ja909913y","","","0.71073","MoKα","","0.1311","0.0647","","","0.1436","0.1605","","","","","","0.904","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102021","13.8174","0.0011","15.2926","0.0012","16.7367","0.0013","90","","91.214","0.006","90","","3535.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C38 H52 N2 Si Ni","","","- C38 H52 N2 Ni Si -","- C38 H52 N2 Ni Si -","- C152 H208 N8 Ni4 Si4 -","4","1","","Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess","Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)\ρightarrowNi(CO)3Complex","Journal of the American Chemical Society","2010","132","","3038","3046","10.1021/ja910305p","","","0.71073","MoKα","","0.1336","0.0393","","","0.0546","0.0639","","","","","","0.683","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102022","8.9717","0.0002","16.5067","0.0004","22.7886","0.0007","90","","100.494","0.003","90","","3318.39","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LSi=Ni-(h6-C6H6)","","","- C35 H46 N2 Ni Si -","- C35 H46 N2 Ni Si -","- C140 H184 N8 Ni4 Si4 -","4","1","","Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess","Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)\ρightarrowNi(CO)3Complex","Journal of the American Chemical Society","2010","132","","3038","3046","10.1021/ja910305p","","","0.71073","","","0.0608","0.0416","","","0.0863","0.0923","","","","","","1.051","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102023","13.4204","0.0005","16.5796","0.0006","15.4482","0.0006","90","","92.315","0.004","90","","3434.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 N2 S Si -","- C36 H50 N2 S Si -","- C144 H200 N8 S4 Si4 -","4","1","","Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess","Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)\ρightarrowNi(CO)3Complex","Journal of the American Chemical Society","2010","132","","3038","3046","10.1021/ja910305p","","","0.71073","","","0.0833","0.0555","","","0.114","0.1243","","","","","","1.083","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102024","9.8033","0.0002","19.9945","0.0004","16.6768","0.0003","90","","100.85","0.002","90","","3210.42","0.11","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","LSi(SH)-Ni(CO)3","","","- C32 H42 N2 Ni O3 S Si -","- C32 H42 N2 Ni O3 S Si -","- C128 H168 N8 Ni4 O12 S4 Si4 -","4","1","","Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess","Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)\ρightarrowNi(CO)3Complex","Journal of the American Chemical Society","2010","132","","3038","3046","10.1021/ja910305p","","","0.71073","MoKα","","0.0698","0.0402","","","0.0833","0.0909","","","","","","0.973","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102025","8.822","0.0003","20.0098","0.0004","9.7785","0.0003","90","","111.974","0.003","90","","1600.76","0.09","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","HLSi(NH2)-Ni(CO)3","","","- C32 H43 N3 Ni O3 Si -","- C32 H43 N3 Ni O3 Si -","- C64 H86 N6 Ni2 O6 Si2 -","2","0.5","","Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess","Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)\ρightarrowNi(CO)3Complex","Journal of the American Chemical Society","2010","132","","3038","3046","10.1021/ja910305p","","","0.71073","MoKα","","0.0684","0.0466","","","0.0932","0.0998","","","","","","1.103","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102026","39.9171","0.0009","10.9265","0.0002","18.2378","0.0004","90","","94.946","0.002","90","","7924.9","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","HLSi(NHiPr)-Ni(CO)3 * C6H6","","","- C41 H55 N3 Ni O3 Si -","- C41 H55 N3 Ni O3 Si -","- C328 H440 N24 Ni8 O24 Si8 -","8","1","","Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess","Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)\ρightarrowNi(CO)3Complex","Journal of the American Chemical Society","2010","132","","3038","3046","10.1021/ja910305p","","","0.71073","MoKα","","0.0463","0.0342","","","0.0742","0.0777","","","","","","1.041","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102027","21.5161","0.0007","11.0448","0.0004","15.4285","0.0005","90","","98.676","0.003","90","","3624.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","HLSi(HN-NHPh)-Ni(CO)3","","","- C38 H48 N4 Ni O3 Si -","- C38 H48 N4 Ni O3 Si -","- C152 H192 N16 Ni4 O12 Si4 -","4","1","","Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess","Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)\ρightarrowNi(CO)3Complex","Journal of the American Chemical Society","2010","132","","3038","3046","10.1021/ja910305p","","","0.71073","MoKα","","0.1717","0.0785","","","0.0807","0.0981","","","","","","0.987","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102028","26.313","0.004","26.313","0.004","31.709","0.005","90","","90","","90","","21954","6","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C119.52 H156.96 N52.56 O94.8 Pd6 -","- C119.52 H156.96 N52.56 O94.804 Pd6 -","- C478.08 H627.84 N210.24 O379.216 Pd24 -","4","0.25","","Takashi Murase; Shinnosuke Horiuchi; Makoto Fujita","Naphthalene Diels-Alder in a Self-Assembled Molecular Flask","Journal of the American Chemical Society","2010","132","","2866","2867","10.1021/ja9107275","","","0.71073","MoKα","","0.1495","0.0684","","","0.1842","0.2501","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102029","26.222","0.003","26.222","0.003","31.65","0.006","90","","90","","90","","21762","5","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C132 H173 N48.9 O92.89 Pd6 -","- C132 H173 N48.9 O92.884 Pd6 -","- C528 H692 N195.6 O371.536 Pd24 -","4","0.25","","Takashi Murase; Shinnosuke Horiuchi; Makoto Fujita","Naphthalene Diels-Alder in a Self-Assembled Molecular Flask","Journal of the American Chemical Society","2010","132","","2866","2867","10.1021/ja9107275","","","0.71073","MoKα","","0.1109","0.0655","","","0.1725","0.2122","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102030","8.2992","0.0005","9.2248","0.0013","27.3952","0.0005","90","","90","","90","","2097.3","0.3","88.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 F N O5 P -","- C19 H29 F N O5 P -","- C76 H116 F4 N4 O20 P4 -","4","1","","Yasuhiro Yamashita; Xun-Xiang Guo; Ryuta Takashita; Shū Kobayashi","Chiral Silver Amide-Catalyzed Enantioselective [3 + 2] Cycloaddition of α-Aminophosphonates with Olefins","Journal of the American Chemical Society","2010","132","","3262","3263","10.1021/ja100101n","","","0.71075","MoKα","","","0.0512","","","","0.073","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102031","8.6413","0.0001","17.5979","0.0002","18.4606","0.0002","90","","90","","90","","2807.28","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","RajanBabu 1754","","","- C29 H30 Cl2 Co P2 -","- C29 H30 Cl2 Co P2 -","- C116 H120 Cl8 Co4 P8 -","4","1","","Rakesh K. Sharma; T. V. RajanBabu","Asymmetric Hydrovinylation of Unactivated Linear 1,3-Dienes","Journal of the American Chemical Society","2010","132","","3295","3297","10.1021/ja1004703","","x-ray","0.71073","MoKα","","0.0461","0.0301","","","0.0565","0.0609","","","","","","1.048","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102032","17.2321","0.0002","9.5331","0.0001","18.4717","0.0002","90","","91.638","0.001","90","","3033.2","0.06","150","2","150","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","RajanBabu 1745","","","- C31 H32 Cl2 Co O2 P2 -","- C31 H32 Cl2 Co O2 P2 -","- C124 H128 Cl8 Co4 O8 P8 -","4","2","","Rakesh K. Sharma; T. V. RajanBabu","Asymmetric Hydrovinylation of Unactivated Linear 1,3-Dienes","Journal of the American Chemical Society","2010","132","","3295","3297","10.1021/ja1004703","","x-ray","0.71073","MoKα","","0.0515","0.0375","","","0.0744","0.0795","","","","","","1.014","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102033","9.7744","0.0004","10.3565","0.0004","14.9063","0.0006","92.554","0.002","104.359","0.002","105.481","0.002","1398.82","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H72 B3 F4 O6 P2 Re -","- C56 H72 B3 F4 O6 P2 Re -","- C56 H72 B3 F4 O6 P2 Re -","1","0.5","","Alexander J. M. Miller; Jay A. Labinger; John E. Bercaw","Homogeneous CO Hydrogenation: Dihydrogen Activation Involves a Frustrated Lewis Pair Instead of a Platinum Complex","Journal of the American Chemical Society","2010","132","","3301","3303","10.1021/ja100574n","","","0.71073","MoKα","","0.0311","0.0306","","","0.0591","0.0592","","","","","","2.373","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4102034","7.3944","0.0005","9.7049","0.0007","21.9189","0.0015","90","","90","","90","","1572.94","0.19","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Br N -","- C17 H24 Br N -","- C68 H96 Br4 N4 -","4","1","","Tatsuya Ito; Larry E. Overman; Jocelyn Wang","Enantioselective Synthesis of Angularly Substituted 1-Azabicyclic Ring Systems: Dynamic Kinetic Resolution Using Aza-Cope Rearrangements","Journal of the American Chemical Society","2010","132","","3272","3273","10.1021/ja100607z","","","0.71073","MoKα","","0.0197","0.0189","","","0.0464","0.0467","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102035","14.767","0.002","9.1855","0.0012","16.607","0.003","90","","105.692","0.006","90","","2168.7","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 O3 -","- C32 H20 O3 -","- C128 H80 O12 -","4","0.5","","Steven E. Wheeler; Anne J. McNeil; Peter Müller; Timothy M. Swager; K. N. Houk","Probing Substituent Effects in Aryl-Aryl Interactions Using Stereoselective Diels-Alder Cycloadditions","Journal of the American Chemical Society","2010","132","","3304","3311","10.1021/ja903653j","","","0.71073","MoKα","","0.0471","0.0427","","","0.113","0.1187","","","","","","1.051","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102036","9.319","0.003","10.361","0.003","13.908","0.003","86.862","0.008","87.431","0.007","66.934","0.007","1233.3","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H24 O5 -","- C34 H24 O5 -","- C68 H48 O10 -","2","1","","Steven E. Wheeler; Anne J. McNeil; Peter Müller; Timothy M. Swager; K. N. Houk","Probing Substituent Effects in Aryl-Aryl Interactions Using Stereoselective Diels-Alder Cycloadditions","Journal of the American Chemical Society","2010","132","","3304","3311","10.1021/ja903653j","","","0.71073","MoKα","","0.0676","0.0503","","","0.1341","0.1479","","","","","","1.072","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102037","10.1757","0.0003","25.7175","0.0008","10.2216","0.0003","90","","118.376","0.001","90","","2353.53","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 O3 -","- C34 H24 O3 -","- C136 H96 O12 -","4","1","","Steven E. Wheeler; Anne J. McNeil; Peter Müller; Timothy M. Swager; K. N. Houk","Probing Substituent Effects in Aryl-Aryl Interactions Using Stereoselective Diels-Alder Cycloadditions","Journal of the American Chemical Society","2010","132","","3304","3311","10.1021/ja903653j","","","0.71073","MoKα","","0.0451","0.0394","","","0.1042","0.1093","","","","","","1.027","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102038","9.4171","0.0003","10.5841","0.0003","13.7962","0.0004","87.083","0.001","83.008","0.001","82.652","0.001","1352.78","0.07","142","2","142","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H26 Cl2 O3 -","- C35 H26 Cl2 O3 -","- C70 H52 Cl4 O6 -","2","1","","Steven E. Wheeler; Anne J. McNeil; Peter Müller; Timothy M. Swager; K. N. Houk","Probing Substituent Effects in Aryl-Aryl Interactions Using Stereoselective Diels-Alder Cycloadditions","Journal of the American Chemical Society","2010","132","","3304","3311","10.1021/ja903653j","","","0.71073","MoKα","","0.0516","0.0442","","","0.1204","0.1277","","","","","","1.03","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102039","9.264","0.005","10.318","0.006","13.601","0.008","84.916","0.009","86.667","0.009","67.45","0.008","1195.5","1.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H18 Br2 O3 -","- C32 H18 Br2 O3 -","- C64 H36 Br4 O6 -","2","1","","Steven E. Wheeler; Anne J. McNeil; Peter Müller; Timothy M. Swager; K. N. Houk","Probing Substituent Effects in Aryl-Aryl Interactions Using Stereoselective Diels-Alder Cycloadditions","Journal of the American Chemical Society","2010","132","","3304","3311","10.1021/ja903653j","","","0.71073","MoKα","","0.0447","0.0371","","","0.0964","0.1017","","","","","","1.05","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102040","23.1603","0.0012","23.1603","0.0012","23.1603","0.0012","90","","90","","90","","12423.2","1.1","123","2","123","2","","","","","","","","7","I m -3","-I 2 2 3","204","","","","- C144 H175 Co4 N36 O165 P3 W36 -","- C144 H132 Co4 N36 O165 P3 W36 -","- C288 H264 Co8 N72 O330 P6 W72 -","2","0.0416667","","Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng","Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks","Journal of the American Chemical Society","2010","132","","3321","3330","10.1021/ja907023c","","","0.71073","MoKα","","0.057","0.0516","","","0.2052","0.2115","","","","","","1.013","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102041","23.2292","0.0011","23.2292","0.0011","23.2292","0.0011","90","","90","","90","","12534.4","1","123","2","123","2","","","","","","","","7","I m -3","-I 2 2 3","204","","","","- C144 H189 Co4 Mo36 N36 O172 P3 -","- C144 H188.96 Co4 Mo36 N36 O172 P3 -","- C288 H377.92 Co8 Mo72 N72 O344 P6 -","2","0.0416667","","Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng","Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks","Journal of the American Chemical Society","2010","132","","3321","3330","10.1021/ja907023c","","","0.71073","MoKα","","0.037","0.0287","","","0.0646","0.0669","","","","","","1.047","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102042","23.1496","0.0007","23.1496","0.0007","23.1496","0.0007","90","","90","","90","","12406","0.6","123","2","123","2","","","","","","","","7","I m -3","-I 2 2 3","204","","","","- C144 H175 Co4 Mo36 N36 O165 P3 -","- C144 H132 Co4 Mo36 N36 O165 P3 -","- C288 H264 Co8 Mo72 N72 O330 P6 -","2","0.0416667","","Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng","Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks","Journal of the American Chemical Society","2010","132","","3321","3330","10.1021/ja907023c","","","0.71073","MoKα","","0.0776","0.0444","","","0.0636","0.0679","","","","","","1.062","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102043","23.1704","0.0011","23.1704","0.0011","23.1704","0.0011","90","","90","","90","","12439.4","1","123","2","123","2","","","","","","","","8","I m -3","-I 2 2 3","204","","","","- C144 H186 Co4 K Mo36 N36 O171 P3 -","- C144 H132 Co4 K1.04 Mo36 N36 O171.04 P3 -","- C288 H264 Co8 K2.08 Mo72 N72 O342.08 P6 -","2","0.0416667","","Chunying Duan; Meilin Wei; Dong Guo; Cheng He; Qingjin Meng","Crystal Structures and Properties of Large Protonated Water Clusters Encapsulated by Metal-Organic Frameworks","Journal of the American Chemical Society","2010","132","","3321","3330","10.1021/ja907023c","","","0.71073","MoKα","","0.0964","0.0497","","","0.0697","0.0753","","","","","","1.042","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102044","13.723","0.002","17.458","0.003","5.0756","0.0008","90","","90","","90","","1216","0.3","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4.92 F0.82 N1.64 O48 Si24 -","- C4.8 F0.8 N1.6 O48 Si24 -","- C4.8 F0.8 N1.6 O48 Si24 -","1","0.125","","Claudio M. Zicovich-Wilson; Felipe Gándara; Angeles Monge; Miguel A. Camblor","In SituTransformation of TON Silica Zeolite into the Less Dense ITW: Structure-Direction Overcoming Framework Instability in the Synthesis of SiO2 Zeolites","Journal of the American Chemical Society","2010","132","","3461","3471","10.1021/ja9094318","","","0.71073","MoKα","","0.0789","0.0618","","","0.149","0.1572","","","","","","1.056","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102045","5.557","0.003","5.557","0.003","5.557","0.003","90","","90","","90","","171.6","0.16","100","","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- As0.5 Li0.5 Se -","- As0.5 Li0.5 Se -","- As2 Li2 Se4 -","4","0.0208333","","Tarun K. Bera; Joon I. Jang; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis","Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2010","132","","3484","3495","10.1021/ja9094846","","","0.71073","MoKα","","0.0401","0.0401","","","0.1007","0.1007","","","","","","1.388","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102046","12.2872","0.0014","5.5419","0.0007","5.5533","0.0006","90","","113.117","0.008","90","","347.79","0.07","100","","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- As Li Se2 -","- As Li Se2 -","- As4 Li4 Se8 -","4","1","","Tarun K. Bera; Joon I. Jang; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis","Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2010","132","","3484","3495","10.1021/ja9094846","","","0.71073","MoKα","","0.0283","0.0237","","","0.0465","0.0475","","","","","","1.099","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102047","11.682","0.002","5.9021","0.0007","11.8231","0.0019","90","","90.446","0.013","90","","815.2","0.2","100","","100","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- As Na Se2 -","- As Na Se2 -","- As8 Na8 Se16 -","8","4","","Tarun K. Bera; Joon I. Jang; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis","Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2010","132","","3484","3495","10.1021/ja9094846","","","0.71073","MoKα","","0.0653","0.0501","","","0.1169","0.1363","","","","","","1.13","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102048","5.55073","","5.58029","","5.57706","","92.72","","90.8322","","91.516","","172.471","","","","","","","","","","","","","3","P 1","P 1","1","","","","- As Li Se2 -","- As Li Se2 -","- As2 Li2 Se4 -","2","2","","Tarun K. Bera; Joon I. Jang; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis","Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2010","132","","3484","3495","10.1021/ja9094846","","","","","","","","","","","","","","","","","","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102049","5.7166","0.0006","13.6438","0.0014","15.1053","0.0015","90","","111.446","0.004","90","","1096.6","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- As Br F12 Kr2 O -","- As Br F12 Kr2 O -","- As4 Br4 F48 Kr8 O4 -","4","1","","David S. Brock; Jonathan J. Casalis de Pury; Hélène P. A. Mercier; Gary J. Schrobilgen; Bernard Silvi","A Rare Example of a Krypton Difluoride Coordination Compound: [BrOF2][AsF6].2KrF2","Journal of the American Chemical Society","2010","132","","3533","3542","10.1021/ja9098559","","","0.71073","MoKα","","0.086","0.0693","","","0.1671","0.1715","","","","","","1.629","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4102050","11.1675","0.001","12.1446","0.0011","13.048","0.001","105.494","0.002","104.912","0.002","108.973","0.002","1493.2","0.2","93.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H31 N2 O P -","- C39 H30 N2 O P -","- C78 H60 N4 O2 P2 -","2","1","","Yi-Jing Chen; Kazutaka Seki; Yasuhiro Yamashita; Shū Kobayashi","Catalytic Carbon-Carbon Bond-Forming Reactions of Aminoalkane Derivatives with Imines","Journal of the American Chemical Society","2010","132","","3244","3245","10.1021/ja909909q","","","0.71075","MoKα","","","0.0533","","","","0.0558","","","","","","4.785","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102051","27.2249","0.0011","27.2249","0.0011","27.2249","0.0011","90","","90","","90","","20179","1.4","293","2","293","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","CIS-11","catena-(undeca(N,N-Dibutylamine) bis(tripentacontasulfido-hepta-copper-octaicosa-indium))","","- C88 H220 Cu7 In28 N11 S53 -","- Cu6.46 In28.54 N59.4 S53 -","- Cu25.84 In114.16 N237.6 S212 -","4","0.0416667","","Le Wang; Tao Wu; Fan Zuo; Xiang Zhao; Xianhui Bu; Jianzhong Wu; Pingyun Feng","Assembly of Supertetrahedral T5 Copper-Indium Sulfide Clusters into a Super-Supertetrahedron of Infinite Order","Journal of the American Chemical Society","2010","132","","3283","3285","10.1021/ja9100672","","","0.71073","MoKα","","0.1346","0.098","","","0.292","0.3683","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102052","10.2956","0.0019","13.561","0.003","19.581","0.004","98.865","0.003","99.28","0.003","107.251","0.003","2516.9","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H21 Fe N19 Ni2 O2 S8 -","- C39 H21 Fe N19 Ni2 O2 S8 -","- C78 H42 Fe2 N38 Ni4 O4 S16 -","2","1","","Masayuki Nihei; Hirotaka Tahira; Nobukazu Takahashi; Yusuke Otake; Yasuhisa Yamamura; Kazuya Saito; Hiroki Oshio","Multiple Bistability and Tristability with Dual Spin-State Conversions in [Fe(dpp)2][Ni(mnt)2]2.MeNO2","Journal of the American Chemical Society","2010","132","","3553","3560","10.1021/ja910122r","","","0.71073","MoKα","","0.0473","0.037","","","0.0877","0.0919","","","","","","0.949","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102053","9.468","0.002","14.068","0.003","20.122","0.004","99.947","0.003","99.118","0.003","105.503","0.004","2484","0.9","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H21 Fe N19 Ni2 O2 S8 -","- C39 H21 Fe N19 Ni2 O2 S8 -","- C78 H42 Fe2 N38 Ni4 O4 S16 -","2","1","","Masayuki Nihei; Hirotaka Tahira; Nobukazu Takahashi; Yusuke Otake; Yasuhisa Yamamura; Kazuya Saito; Hiroki Oshio","Multiple Bistability and Tristability with Dual Spin-State Conversions in [Fe(dpp)2][Ni(mnt)2]2.MeNO2","Journal of the American Chemical Society","2010","132","","3553","3560","10.1021/ja910122r","","","0.71073","MoKα","","0.0583","0.0411","","","0.0956","0.1031","","","","","","0.972","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102054","9.074","0.003","15.463","0.005","18.423","0.006","80.355","0.005","76.17","0.005","79.649","0.006","2448.1","1.4","205","2","205","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H21 Fe N19 Ni2 O2 S8 -","- C39 H21 Fe N19 Ni2 O2 S8 -","- C78 H42 Fe2 N38 Ni4 O4 S16 -","2","1","","Masayuki Nihei; Hirotaka Tahira; Nobukazu Takahashi; Yusuke Otake; Yasuhisa Yamamura; Kazuya Saito; Hiroki Oshio","Multiple Bistability and Tristability with Dual Spin-State Conversions in [Fe(dpp)2][Ni(mnt)2]2.MeNO2","Journal of the American Chemical Society","2010","132","","3553","3560","10.1021/ja910122r","","","0.71073","MoKα","","0.1209","0.0632","","","0.1374","0.1659","","","","","","1.028","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102055","10.384","0.002","13.594","0.003","19.583","0.004","98.371","0.004","99.279","0.004","106.424","0.004","2562.9","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H21 Fe N19 Ni2 O2 S8 -","- C39 H21 Fe N19 Ni2 O2 S8 -","- C78 H42 Fe2 N38 Ni4 O4 S16 -","2","1","","Masayuki Nihei; Hirotaka Tahira; Nobukazu Takahashi; Yusuke Otake; Yasuhisa Yamamura; Kazuya Saito; Hiroki Oshio","Multiple Bistability and Tristability with Dual Spin-State Conversions in [Fe(dpp)2][Ni(mnt)2]2.MeNO2","Journal of the American Chemical Society","2010","132","","3553","3560","10.1021/ja910122r","","","0.71073","MoKα","","0.1394","0.0609","","","0.118","0.1479","","","","","","0.905","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102056","18.397","0.009","19.306","0.009","21.597","0.01","97.65","0.01","95.067","0.009","104.091","0.008","7315","6","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H21 Fe N19 Ni2 O2 S8 -","- C39 H21 Fe N19 Ni2 O2 S8 -","- C234 H126 Fe6 N114 Ni12 O12 S48 -","6","3","","Masayuki Nihei; Hirotaka Tahira; Nobukazu Takahashi; Yusuke Otake; Yasuhisa Yamamura; Kazuya Saito; Hiroki Oshio","Multiple Bistability and Tristability with Dual Spin-State Conversions in [Fe(dpp)2][Ni(mnt)2]2.MeNO2","Journal of the American Chemical Society","2010","132","","3553","3560","10.1021/ja910122r","","","0.71073","MoKα","","0.161","0.085","","","0.2066","0.2548","","","","","","1.04","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102057","9.904","0.0008","21.441","0.003","21.8567","0.0018","90","","90","","90","","4641.3","0.8","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C82 H29 N O2 -","- C82 H29 N O2 -","- C328 H116 N4 O8 -","4","1","","Stéphane Campidelli; Philippe Bourgun; Boris Guintchin; Julien Furrer; Helen Stoeckli-Evans; Isabel M. Saez; John W. Goodby; Robert Deschenaux","Diastereoisomerically Pure Fulleropyrrolidines as Chiral Platforms for the Design of Optically Active Liquid Crystals","Journal of the American Chemical Society","2010","132","","3574","3581","10.1021/ja910128e","","","0.71073","MoKα","","0.1443","0.0727","","","0.1065","0.1273","","","","","","0.971","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102058","14.138","0.003","14.224","0.003","27.716","0.006","104.253","0.004","94.05","0.004","91.825","0.004","5382","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(u-N)(U(N[t-Bu][3,5-Me2C6H3])3)2][B(3,5-(CF3)2C6H3)4]","","- C108 H128 B F24 N7 O U2 -","- C108 H128 B F24 N7 O U2 -","- C216 H256 B2 F48 N14 O2 U4 -","2","1","","Alexander R. Fox; Polly L. Arnold; Christopher C. Cummins","Uranium-Nitrogen Multiple Bonding: Isostructural Anionic, Neutral, and Cationic Uranium Nitride Complexes Featuring a Linear U=N=U Core","Journal of the American Chemical Society","2010","132","","3250","3251","10.1021/ja910364u","","x-ray","0.71073","MoKα","","0.0789","0.0401","","","0.0754","0.088","","","","","","1.021","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102059","19.0179","0.0009","21.6348","0.001","23.6014","0.0011","90","","94.932","0.001","90","","9674.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[N(n-Bu)4][(u-N)(U(N[t-Bu][3,5-Me2C6H3])3)2]","","","- C96 H164 N8 O2 U2 -","- C96 H164 N8 O2 U2 -","- C384 H656 N32 O8 U8 -","4","1","","Alexander R. Fox; Polly L. Arnold; Christopher C. Cummins","Uranium-Nitrogen Multiple Bonding: Isostructural Anionic, Neutral, and Cationic Uranium Nitride Complexes Featuring a Linear U=N=U Core","Journal of the American Chemical Society","2010","132","","3250","3251","10.1021/ja910364u","","","0.71073","MoKα","","0.1054","0.0418","","","0.074","0.0921","","","","","","1.019","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102060","11.9403","0.0008","13.8787","0.0009","13.8923","0.0016","111.12","0.001","101.095","0.002","105.745","0.001","1956","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(u-N)(U(N[t-Bu][3,5-Me2C6H3]3)2","","","- C76 H118 N7 O U2 -","- C76 H118 N7 O U2 -","- C76 H118 N7 O U2 -","1","0.5","","Alexander R. Fox; Polly L. Arnold; Christopher C. Cummins","Uranium-Nitrogen Multiple Bonding: Isostructural Anionic, Neutral, and Cationic Uranium Nitride Complexes Featuring a Linear U=N=U Core","Journal of the American Chemical Society","2010","132","","3250","3251","10.1021/ja910364u","","","0.71073","MoKα","","0.0438","0.0323","","","0.0748","0.0798","","","","","","1.039","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102061","16.0499","0.0016","6.9437","0.0007","16.4241","0.0016","90","","115.326","0.002","90","","1654.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N2 O -","- C18 H18 Cl2 N2 O -","- C72 H72 Cl8 N8 O4 -","4","1","","Benjamin J. Coe; John Fielden; Simon P. Foxon; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Anna Samoc; Marek Samoc","Combining Very Large Quadratic and cubic Nonlinear Optical Responses in Extended, Tris-Chelate Metallochromophores with Six π-Conjugated Pyridinium Substituents","Journal of the American Chemical Society","2010","132","","3496","3513","10.1021/ja910538s","","","0.71073","MoKα","","0.0614","0.0476","","","0.1372","0.1433","","","","","","1.361","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102062","9.1252","0.0013","17.637","0.002","13.683","0.002","90","","109.478","0.005","90","","2076.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 F12 N6 O2 P2 -","- C42 H42 F12 N6 O2 P2 -","- C84 H84 F24 N12 O4 P4 -","2","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Anna Samoc; Marek Samoc","Combining Very Large Quadratic and cubic Nonlinear Optical Responses in Extended, Tris-Chelate Metallochromophores with Six π-Conjugated Pyridinium Substituents","Journal of the American Chemical Society","2010","132","","3496","3513","10.1021/ja910538s","","","0.71073","MoKα","","0.0802","0.0561","","","0.1595","0.1736","","","","","","1.123","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102063","7.2949","0.0004","18.2726","0.001","10.1245","0.0006","90","","94.891","0.001","90","","1344.65","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0394","0.0371","","","0.111","0.1129","","","","","","1.046","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102064","7.3033","0.0011","18.261","0.003","10.1272","0.0015","90","","94.841","0.002","90","","1345.8","0.4","165","2","165","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0421","0.0397","","","0.1289","0.1322","","","","","","1.014","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102065","7.3206","0.0004","18.2483","0.0011","10.1331","0.0006","90","","94.681","0.001","90","","1349.15","0.14","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0503","0.0476","","","0.153","0.1547","","","","","","1.166","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102066","7.31","0.005","18.28","0.011","10.145","0.006","90","","94.645","0.008","90","","1351.2","1.5","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.77749","synchrotron","","0.0467","0.0432","","","0.1415","0.1452","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102067","7.355","0.004","18.215","0.009","10.152","0.005","90","","94.502","0.006","90","","1355.9","1.2","225","2","225","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0492","0.0455","","","0.1487","0.1512","","","","","","1.116","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102069","7.3378","0.001","18.201","0.003","10.1447","0.0014","90","","94.393","0.002","90","","1350.9","0.3","255","2","255","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.054","0.0495","","","0.1551","0.1581","","","","","","1.144","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102070","7.3413","0.0008","18.175","0.002","10.1557","0.0011","90","","94.32","0.002","90","","1351.2","0.3","270","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0488","0.0439","","","0.1388","0.1428","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102071","7.356","0.002","18.208","0.004","10.167","0.002","90","","94.277","0.014","90","","1358","0.5","285","2","285","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0695","0.057","","","0.165","0.1722","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102072","7.3333","0.0014","18.153","0.003","10.1729","0.0019","90","","94.379","0.004","90","","1350.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","Synchrotron","","0.1434","0.0765","","","0.1839","0.2013","","","","","","1.21","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102073","7.306","0.003","18.111","0.008","10.205","0.004","90","","94.248","0.007","90","","1346.6","1","330","2","330","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.578 S -","- C32 H12 Cu8 O42.312 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0766","0.0509","","","0.138","0.1497","","","","","","0.856","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102074","7.3333","0.0014","18.153","0.003","10.1729","0.0019","90","","94.379","0.004","90","","1350.3","0.4","305","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.715 S -","- C32 H12 Cu8 O42.86 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0644","0.0556","","","0.16","0.1662","","","","","","1.186","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102075","7.3354","0.0019","18.14","0.004","10.179","0.003","90","","94.337","0.004","90","","1350.6","0.6","310","2","310","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.676 S -","- C32 H12 Cu8 O42.704 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0638","0.0502","","","0.1482","0.1572","","","","","","1.044","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102076","7.3354","0.0019","18.14","0.004","10.179","0.003","90","","94.337","0.004","90","","1350.6","0.6","325","2","325","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 Cu2 O10.72 S -","- C8 H3 Cu2 O10.717 S -","- C32 H12 Cu8 O42.868 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0645","0.0507","","","0.151","0.16","","","","","","1.063","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102077","7.301","0.008","18.032","0.019","10.133","0.011","90","","94.307","0.018","90","","1330","2","320","2","320","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.66 S -","- C32 H12 Cu8 O42.64 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0862","0.0605","","","0.1652","0.1896","","","","","","1.094","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102078","7.301","0.007","18.048","0.016","10.21","0.009","90","","94.334","0.014","90","","1342","2","325","2","325","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.59 S -","- C32 H12 Cu8 O42.36 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0955","0.0616","","","0.1696","0.2019","","","","","","1.145","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102079","7.306","0.003","18.111","0.008","10.205","0.004","90","","94.248","0.007","90","","1346.6","1","330","2","330","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H Cu2 O11 S -","- C8 H3 Cu2 O11 S -","- C32 H12 Cu8 O44 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.078","0.0522","","","0.142","0.1536","","","","","","0.878","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102080","7.315","0.007","18.168","0.015","10.219","0.009","90","","94.163","0.015","90","","1355","2","335","2","335","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.58 S -","- C32 H12 Cu8 O42.32 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.1092","0.0627","","","0.1677","0.1974","","","","","","1.014","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102081","7.302","0.013","18.15","0.03","10.267","0.018","90","","94.01","0.03","90","","1357","4","340","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.43 S -","- C32 H12 Cu8 O41.72 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.2036","0.1235","","","0.3049","0.3754","","","","","","1.958","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102082","7.271","0.004","18.061","0.01","10.212","0.006","90","","94.234","0.01","90","","1337.4","1.3","345","2","345","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.312 S -","- C32 H12 Cu8 O41.248 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0935","0.0554","","","0.1442","0.1609","","","","","","0.934","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102083","7.283","0.003","18.119","0.009","10.262","0.005","90","","94.119","0.008","90","","1350.7","1.1","355","2","355","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.34 S -","- C32 H12 Cu8 O41.36 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.089","0.0531","","","0.145","0.1576","","","","","","0.941","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102084","7.252","0.008","18.068","0.019","10.23","0.01","90","","94.216","0.016","90","","1337","2","360","2","360","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cu2 O11 S -","- C8 H3 Cu2 O10.33 S -","- C32 H12 Cu8 O41.32 S4 -","4","1","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.1008","0.0628","","","0.158","0.1736","","","","","","1.009","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102085","13.814","0.005","19.437","0.01","12.067","0.006","90","","139.21","0.02","90","","2116.7","1.9","435","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H6 Cu4 O16 S2 -","- C8 H3 Cu2 O8 S -","- C64 H24 Cu16 O64 S8 -","8","2","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0883","0.049","","","0.1253","0.1569","","","","","","0.889","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102086","13.796","0.002","19.43","0.004","12.057","0.003","90","","139.172","0.01","90","","2113","0.9","445","2","445","2","101.31","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H6 Cu4 O16 S4 -","- C8 H3 Cu2 O8 S -","- C64 H24 Cu16 O64 S8 -","8","2","","Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris","In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3","Journal of the American Chemical Society","2010","132","","3605","3611","10.1021/ja910600b","","","0.7749","synchrotron","","0.0769","0.0478","","","0.1223","0.1486","","","","","","0.873","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102087","6.265","0.002","9.606","0.003","15.868","0.005","90","","93.66","0.006","90","","953","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 B N -","- C8 H20 B N -","- C32 H80 B4 N4 -","4","1","","Patrick G. Campbell; Lev N. Zakharov; Daniel J. Grant; David A. Dixon; Shih-Yuan Liu","Hydrogen Storage by Boron-Nitrogen Heterocycles: A Simple Route for Spent Fuel Regeneration","Journal of the American Chemical Society","2010","132","","3289","3291","10.1021/ja9106622","","","0.71073","MoKα","","0.0561","0.0447","","","0.1118","0.1224","","","","","","1.038","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102088","9.883","0.005","11.83","0.006","22.453","0.01","90","","92.087","0.008","90","","2623","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H43 B K N O6 -","- C20 H43 B K N O6 -","- C80 H172 B4 K4 N4 O24 -","4","1","","Patrick G. Campbell; Lev N. Zakharov; Daniel J. Grant; David A. Dixon; Shih-Yuan Liu","Hydrogen Storage by Boron-Nitrogen Heterocycles: A Simple Route for Spent Fuel Regeneration","Journal of the American Chemical Society","2010","132","","3289","3291","10.1021/ja9106622","","","0.71073","MoKα","","0.117","0.0687","","","0.1669","0.1993","","","","","","1.022","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102089","18.934","0.004","27.616","0.006","20.473","0.005","90","","90","","90","","10705","4","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H66 Cl4 N4 Pd -","- C58 H66 Cl4 N4 Pd -","- C464 H528 Cl32 N32 Pd8 -","8","1","","Yasunao Miyamura; Kazushi Kinbara; Yohei Yamamoto; Vakayil K. Praveen; Kenichi Kato; Masaki Takata; Atsushi Takano; Yushu Matsushita; Eunji Lee; Myongsoo Lee; Takuzo Aida","Shape-Directed Assembly of a ""Macromolecular Barb"" into Nanofibers: Stereospecific Cyclopolymerization of Isopropylidene Diallylmalonate","Journal of the American Chemical Society","2010","132","","3292","3294","10.1021/ja910901e","","","0.7107","MoKα","","0.0742","0.0642","","","0.1104","0.1134","","","","","","1.295","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102090","34.304","0.003","19.0827","0.0015","16.479","0.0013","90","","112.102","0.001","90","","9994.7","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C97 H162 N2 P6 Sc2 -","- C97 H162 N2 P6 Sc2 -","- C388 H648 N8 P24 Sc8 -","4","0.5","","Benjamin F. Wicker; Jennifer Scott; José G. Andino; Xinfeng Gao; Hyunsoo Park; Maren Pink; Daniel J. Mindiola","Phosphinidene Complexes of Scandium: Powerful PAr Group-Transfer Vehicles to Organic and Inorganic Substrates","Journal of the American Chemical Society","2010","132","","3691","3693","10.1021/ja100214e","","","0.71073","MoKα","","0.0807","0.0523","","","0.1429","0.1749","","","","","","1.13","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4102091","12.396","0.005","14.179","0.006","15.666","0.006","95.417","0.006","93.967","0.007","93.815","0.007","2727.2","1.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H77 Br Li N P3 Sc -","- C55 H77 Br Li N P3 Sc -","- C110 H154 Br2 Li2 N2 P6 Sc2 -","2","1","","Benjamin F. Wicker; Jennifer Scott; José G. Andino; Xinfeng Gao; Hyunsoo Park; Maren Pink; Daniel J. Mindiola","Phosphinidene Complexes of Scandium: Powerful PAr Group-Transfer Vehicles to Organic and Inorganic Substrates","Journal of the American Chemical Society","2010","132","","3691","3693","10.1021/ja100214e","","","0.71073","MoKα","","0.1213","0.072","","","0.1889","0.2167","","","","","","1.066","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4102092","11.8898","0.0012","21.318","0.003","22.944","0.003","90","","90","","90","","5815.5","1.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H80 Br Li N O2.5 P3 Sc -","- C56 H80 Br Li N O2.5 P3 Sc -","- C224 H320 Br4 Li4 N4 O10 P12 Sc4 -","4","1","","Benjamin F. Wicker; Jennifer Scott; José G. Andino; Xinfeng Gao; Hyunsoo Park; Maren Pink; Daniel J. Mindiola","Phosphinidene Complexes of Scandium: Powerful PAr Group-Transfer Vehicles to Organic and Inorganic Substrates","Journal of the American Chemical Society","2010","132","","3691","3693","10.1021/ja100214e","","x-ray","0.71073","MoKα","","0.0795","0.0567","","","0.1377","0.151","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102093","9.7154","0.0004","11.6798","0.0005","14.9702","0.0006","97.349","0.001","107.577","0.001","110.254","0.001","1467.07","0.11","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H35 P -","- C37 H35 P -","- C74 H70 P2 -","2","1","","Benjamin F. Wicker; Jennifer Scott; José G. Andino; Xinfeng Gao; Hyunsoo Park; Maren Pink; Daniel J. Mindiola","Phosphinidene Complexes of Scandium: Powerful PAr Group-Transfer Vehicles to Organic and Inorganic Substrates","Journal of the American Chemical Society","2010","132","","3691","3693","10.1021/ja100214e","","x-ray","0.71073","MoKα","","0.0546","0.0458","","","0.1249","0.1332","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102094","10.7145","0.0003","7.1225","0.0003","12.4937","0.0003","90","","109.575","0.0017","90","","898.34","0.05","103.1","","103.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 Br N2 O5 -","- C17 H19 Br N2 O5 -","- C34 H38 Br2 N4 O10 -","2","1","","Nicholas E. Shepherd; Hirooki Tanabe; Yingjie Xu; Shigeki Matsunaga; Masakatsu Shibasaki","Direct Catalytic Asymmetric Vinylogous Mannich-Type and Michael Reactions of an α,β-Unsaturated γ-Butyrolactam under Dinuclear Nickel Catalysis","Journal of the American Chemical Society","2010","132","","3666","3667","10.1021/ja1002636","","","1.54187","CuKα","","","0.0389","","","","0.079","","","","","","0.912","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102095","9.795","0.003","10.039","0.003","10.579","0.003","104.965","0.004","103.246","0.005","117.219","0.004","817.4","0.4","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C39 H32 Cu I O P2 -","- C39 H32 Cu I O P2 -","- C39 H32 Cu I O P2 -","1","1","","Jinkun Huang; Johann Chan; Ying Chen; Christopher J. Borths; Kyle D. Baucom; Robert D. Larsen; Margaret M. Faul","A Highly Efficient Palladium/Copper Cocatalytic System for Direct Arylation of Heteroarenes: An Unexpected Effect of Cu(Xantphos)I","Journal of the American Chemical Society","2010","132","","3674","3675","10.1021/ja100354j","","x-ray","0.71073","MoKα","","0.0311","0.0296","","","0.075","0.0763","","","","","","1.075","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102096","10.5819","0.0001","21.4447","0.0002","19.0361","0.0002","90","","96.936","0.001","90","","4288.17","0.07","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C47 H39 Cl2 Cu I N O P2 S -","- C47 H39 Cl2 Cu I N O P2 S -","- C188 H156 Cl8 Cu4 I4 N4 O4 P8 S4 -","4","1","","Jinkun Huang; Johann Chan; Ying Chen; Christopher J. Borths; Kyle D. Baucom; Robert D. Larsen; Margaret M. Faul","A Highly Efficient Palladium/Copper Cocatalytic System for Direct Arylation of Heteroarenes: An Unexpected Effect of Cu(Xantphos)I","Journal of the American Chemical Society","2010","132","","3674","3675","10.1021/ja100354j","","x-ray","1.54178","CuKα","","0.047","0.0448","","","0.1203","0.1216","","","","","","1.117","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102097","13.5197","0.0017","14.684","0.0018","17.417","0.002","85.975","0.003","73.27","0.002","84.93","0.002","3294.7","0.7","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H80 F5 N O2 P2 Pd -","- C58 H80 F5 N O2 P2 Pd -","- C116 H160 F10 N2 O4 P4 Pd2 -","2","1","","Yichen Tan; John F. Hartwig","Palladium-Catalyzed Amination of Aromatic C-H Bonds with Oxime Esters","Journal of the American Chemical Society","2010","132","","3676","3677","10.1021/ja100676r","","","0.71073","MoKα","","0.1028","0.0591","","","0.1476","0.1672","","","","","","0.886","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102098","7.4228","0.0014","8.1929","0.0018","14.838","0.004","104.299","0.018","100.577","0.018","95.938","0.017","849","0.4","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","Tetra-potassium-aqua-ethanol-3,4,9,10-perylene-tetracarboxylate ethanol solvate'","","- C16 H12 K2 O7 -","- C16 H12 K2 O7 -","- C32 H24 K4 O14 -","2","1","","Minghua Huang; Uwe Schilde; Michael Kumke; Markus Antonietti; Helmut Cölfen","Polymer-Induced Self-Assembly of Small Organic Molecules into Ultralong Microbelts with Electronic Conductivity","Journal of the American Chemical Society","2010","132","","3700","3707","10.1021/ja906667x","","","0.71073","MoKα","","0.0432","0.0359","","","0.099","0.1034","","","","","","1.029","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102099","12.72","0.002","12.902","0.002","22.267","0.004","85.756","0.008","83.34","0.007","63.273","0.007","3240.9","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Na(222)[Fe(TPP)Cl]","","","- C65 H70 Cl7 Fe N6 Na O6 -","- C65 H70 Cl7 Fe N6 Na O6 -","- C130 H140 Cl14 Fe2 N12 Na2 O12 -","2","1","","Chuanjiang Hu; Corinne D. Sulok; Florian Paulat; Nicolai Lehnert; Anna I. Twigg; Michael P. Hendrich; Charles E. Schulz; W. Robert Scheidt","Just a Proton: Distinguishing the Two Electronic States of Five-Coordinate High-Spin Iron(II) Porphyrinates with Imidazole/ate Coordination","Journal of the American Chemical Society","2010","132","","3737","3750","10.1021/ja907584x","","","0.71073","MoKα","","0.0447","0.0383","","","0.1032","0.119","","","","","","1.044","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102100","17.8096","0.0018","9.5907","0.001","12.3463","0.0013","90","","127.541","0.002","90","","1672.1","0.3","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C32 H24 N2 O8 Rh2 -","- C32 H24 N2 O8 Rh2 -","- C64 H48 N4 O16 Rh4 -","2","0.25","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0478","0.039","","","0.094","0.0982","","","","","","1.103","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102101","17.713","0.011","9.623","0.006","19.575","0.012","90","","98.249","0.01","90","","3302","4","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 N2 O8 Rh2 -","- C32 H24 N2 O8 Rh2 -","- C128 H96 N8 O32 Rh8 -","4","0.5","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0728","0.0564","","","0.1374","0.147","","","","","","1.049","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102102","9.541","0.002","10.3","0.002","11.038","0.002","70.192","0.004","66.179","0.004","63.002","0.004","867.9","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 N2 O14 Rh2 -","- C35 H24 N2 O14 Rh2 -","- C35 H24 N2 O14 Rh2 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0621","0.0547","","","0.1433","0.1488","","","","","","1.047","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102103","17.998","0.016","9.697","0.008","18.903","0.017","90","","97.339","0.018","90","","3272","5","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cu2 N2 O8 -","- C32 H24 Cu2 N2 O8 -","- C128 H96 Cu8 N8 O32 -","4","0.5","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.094","0.0654","","","0.155","0.1704","","","","","","1.058","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102104","17.485","0.003","9.6876","0.0019","19.213","0.004","90","","98.432","0.004","90","","3219.3","1.1","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cu2 N2 O8 -","- C32 H24 Cu2 N2 O8 -","- C128 H96 Cu8 N8 O32 -","4","0.5","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0827","0.0589","","","0.1342","0.1462","","","","","","1.034","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102105","9.6214","0.0015","10.2423","0.0016","10.9393","0.0017","70.584","0.003","66.008","0.003","63.084","0.003","863.5","0.2","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 Cu2 N2 O14 -","- C35 H24 Cu2 N2 O14 -","- C35 H24 Cu2 N2 O14 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0648","0.0575","","","0.162","0.1655","","","","","","1.185","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102106","10.463","0.003","10.502","0.003","15.753","0.005","79.896","0.007","80.852","0.007","87.276","0.007","1682.1","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N2 O8 Rh2 -","- C33 H25 N2 O8 Rh2 -","- C66 H50 N4 O16 Rh4 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0804","0.054","","","0.1236","0.1392","","","","","","1.03","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102107","10.2076","0.0009","10.4184","0.001","15.7516","0.0015","79.434","0.002","81.217","0.002","86.212","0.002","1626.2","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N2 O8 Rh2 -","- C33 H25 N2 O8 Rh2 -","- C66 H50 N4 O16 Rh4 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0744","0.055","","","0.1294","0.1463","","","","","","1.127","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102108","9.6162","0.0016","10.4953","0.0018","11.1475","0.0019","68.8","0.003","65.939","0.003","62.968","0.003","893.3","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N2 O14 Rh2 -","- C36 H23 N2 O14 Rh2 -","- C36 H23 N2 O14 Rh2 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0853","0.0656","","","0.1623","0.1852","","","","","","1.199","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102109","10.401","0.004","10.481","0.004","15.71","0.005","80.792","0.008","82.183","0.007","87.447","0.007","1674.4","1.1","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 Cu2 N2 O8 -","- C33 H25 Cu2 N2 O8 -","- C66 H50 Cu4 N4 O16 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.1004","0.0697","","","0.1637","0.1792","","","","","","1.077","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102110","10.213","0.004","10.386","0.004","15.673","0.006","80.728","0.008","82.581","0.008","86.601","0.008","1625.8","1.1","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 Cu2 N2 O8 -","- C33 H25 Cu2 N2 O8 -","- C66 H50 Cu4 N4 O16 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.1368","0.0929","","","0.2019","0.2351","","","","","","1.091","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102111","9.748","0.006","10.547","0.007","11.23","0.011","67.951","0.007","64.28","","62.47","","900.1","1.2","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 Cu2 N2 O14 -","- C36 H23 Cu2 N2 O14 -","- C36 H23 Cu2 N2 O14 -","1","0.5","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.1614","0.113","","","0.2907","0.3269","","","","","","1.081","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102112","10.504","0.003","10.523","0.003","15.784","0.005","80.233","0.006","80.818","0.006","88.595","0.007","1697.3","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N2 O8 Rh2 -","- C34 H28 N2 O8 Rh2 -","- C68 H56 N4 O16 Rh4 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0476","0.0361","","","0.0749","0.084","","","","","","1.076","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102113","10.2633","0.0005","10.4611","0.0005","15.7171","0.0007","79.853","0.001","81.04","0.001","87.363","0.001","1640.51","0.13","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N2 O8 Rh2 -","- C34 H28 N2 O8 Rh2 -","- C68 H56 N4 O16 Rh4 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0323","0.0269","","","0.0588","0.0632","","","","","","1.039","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102114","10.317","0.0011","10.4309","0.0011","15.674","0.0016","80.248","0.002","81.189","0.002","87.87","0.002","1642.7","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34.4 H28 N2 O8.79 Rh2 -","- C34.491 H28 N2 O8.982 Rh2 -","- C68.982 H56 N4 O17.964 Rh4 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0939","0.0468","","","0.0994","0.1373","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102115","10.453","0.003","10.896","0.004","15.659","0.005","98.748","0.007","99.36","0.007","90.288","0.007","1738.5","1","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 N2 O12 Rh2 -","- C36 H28 N2 O12 Rh2 -","- C72 H56 N4 O24 Rh4 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.1706","0.1037","","","0.2456","0.2757","","","","","","0.952","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102116","10.484","0.003","10.515","0.003","15.681","0.005","81.244","0.006","82.174","0.006","88.84","0.007","1692.6","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cu2 N2 O8 -","- C34 H28 Cu2 N2 O8 -","- C68 H56 Cu4 N4 O16 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.0904","0.0627","","","0.1331","0.1495","","","","","","1.123","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102117","10.2611","0.0006","10.4184","0.0006","15.6335","0.0009","81.141","0.001","82.302","0.001","87.722","0.001","1636.16","0.16","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cu2 N2 O8 -","- C34 H28 Cu2 N2 O8 -","- C68 H56 Cu4 N4 O16 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.053","0.0432","","","0.0963","0.1049","","","","","","1.137","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102118","10.5149","0.001","10.3425","0.001","15.5194","0.0015","82.721","0.002","82.702","0.002","89.957","0.002","1660.4","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34.65 H28 Cu2 N2 O9.29 -","- C34.645 H28 Cu2 N2 O9.29 -","- C69.29 H56 Cu4 N4 O18.58 -","2","1","","Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda","Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)","Journal of the American Chemical Society","2010","132","","3783","3792","10.1021/ja9091598","","","0.71073","MoKα","","0.1213","0.0633","","","0.1317","0.1563","","","","","","0.986","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102119","10.0089","0.0003","13.3937","0.0004","21.0503","0.0007","90","","99.197","0.003","90","","2785.65","0.15","193","2","193","2","","","","","","","chemical synthesis","7","P 1 21/n 1","-P 2yn","14","TF04054","(Benzo[h]quinolinato){(2-nitrophenyl-sulfonyl)[(2-(pyridine-2-yl)phenyl] amido}-difluoropalladium(IV) Acetonitrile Solvate","","- C32 H23 F2 N5 O4 Pd S -","- C32 H23 F2 N5 O4 Pd S -","- C128 H92 F8 N20 O16 Pd4 S4 -","4","1","","Takeru Furuya; Diego Benitez; Ekaterina Tkatchouk; Alexandra E. Strom; Pingping Tang; William A. Goddard; Tobias Ritter","Mechanism of C-F Reductive Elimination from Palladium(IV) Fluorides","Journal of the American Chemical Society","2010","132","","3793","3807","10.1021/ja909371t","","","0.71073","MoKα","","0.0728","0.0383","","","0.0703","0.0829","","","","","","1.042","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102120","15.2325","0.0005","11.9436","0.0004","13.976","0.0005","90","","101.975","0.001","90","","2487.33","0.15","193","2","193","2","","","","","","","chemical synthesis","8","P 1 21/c 1","-P 2ybc","14","TPP-I-114","[(2-Nitrophenylsulfonyl)(2-(pyridine-2-yl)phenyl)amido](pyridine) palladium(II) Fluoride Dichloromethane Solvate","","- C23 H19 Cl2 F N4 O4 Pd S -","- C23 H19 Cl2 F N4 O4 Pd S -","- C92 H76 Cl8 F4 N16 O16 Pd4 S4 -","4","1","","Takeru Furuya; Diego Benitez; Ekaterina Tkatchouk; Alexandra E. Strom; Pingping Tang; William A. Goddard; Tobias Ritter","Mechanism of C-F Reductive Elimination from Palladium(IV) Fluorides","Journal of the American Chemical Society","2010","132","","3793","3807","10.1021/ja909371t","","","0.71073","MoKα","","0.0347","0.0257","","","0.0625","0.0674","","","","","","1.048","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102121","8.8778","0.0015","11.951","0.002","18.68","0.003","90","","90","","90","","1981.9","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","estrone derivative 11c","","","- C23 H28 O4 -","- C23 H28 O4 -","- C92 H112 O16 -","4","1","","Christoph Schotes; Antonio Mezzetti","Asymmetric Diels-Alder Reactions of Unsaturated β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes","Journal of the American Chemical Society","2010","132","","3652","3653","10.1021/ja910039e","","","0.71073","MoKα","","0.0673","0.0457","","","0.0731","0.078","","","","","","0.819","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102122","11.511","0.0007","13.8903","0.0008","20.6616","0.0012","96.886","0.001","93.755","0.001","113.085","0.001","2994.2","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","[Ru(3a)(PNNP)](PF6)2","","","- C56 H58 Cl4 F12 N2 O3 P4 Ru -","- C56 H58 Cl4 F12 N2 O3 P4 Ru -","- C112 H116 Cl8 F24 N4 O6 P8 Ru2 -","2","1","","Christoph Schotes; Antonio Mezzetti","Asymmetric Diels-Alder Reactions of Unsaturated β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes","Journal of the American Chemical Society","2010","132","","3652","3653","10.1021/ja910039e","","","0.71073","MoKα","","0.0559","0.0504","","","0.129","0.1337","","","","","","1.021","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102123","7.6079","0.0014","10.0378","0.0018","10.3899","0.0019","68.164","0.003","83.564","0.003","83.013","0.003","729.1","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","Camphanic Acid Ester ent-14","","","- C33 H42 O7 -","- C33 H42 O7 -","- C33 H42 O7 -","1","1","","Christoph Schotes; Antonio Mezzetti","Asymmetric Diels-Alder Reactions of Unsaturated β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes","Journal of the American Chemical Society","2010","132","","3652","3653","10.1021/ja910039e","","","0.71073","MoKα","","0.0395","0.0384","","","0.0992","0.1002","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102124","12.2734","0.0015","7.0211","0.0009","13.0651","0.0017","90","","108.615","0.003","90","","1067","0.2","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","Camphanic Acid Ester ent-16","","","- C23 H32 O6 -","- C23 H32 O6 -","- C46 H64 O12 -","2","1","","Christoph Schotes; Antonio Mezzetti","Asymmetric Diels-Alder Reactions of Unsaturated β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes","Journal of the American Chemical Society","2010","132","","3652","3653","10.1021/ja910039e","","","0.71073","MoKα","","0.0638","0.0461","","","0.0988","0.1203","","","","","","0.943","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102125","6.289","0.003","16.277","0.007","20.105","0.009","90","","98.535","0.008","90","","2035.3","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O3 S -","- C22 H20 N2 O3 S -","- C88 H80 N8 O12 S4 -","4","1","","Bo Qian; Shengmei Guo; Jianping Shao; Qiming Zhu; Lei Yang; Chungu Xia; Hanmin Huang","Palladium-Catalyzed Benzylic Addition of 2-Methyl Azaarenes to N-Sulfonyl Aldimines via C-H Bond Activation","Journal of the American Chemical Society","2010","132","","3650","3651","10.1021/ja910104n","","","0.71073","MoKα","","0.1412","0.0584","","","0.117","0.1475","","","","","","1.008","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102126","8.4123","0.0006","8.5007","0.0006","8.5524","0.0006","90.341","0.004","118.496","0.003","116.53","0.003","461.86","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 N2 O4 Pd -","- C18 H24 N2 O4 Pd -","- C18 H24 N2 O4 Pd -","1","0.5","","Bo Qian; Shengmei Guo; Jianping Shao; Qiming Zhu; Lei Yang; Chungu Xia; Hanmin Huang","Palladium-Catalyzed Benzylic Addition of 2-Methyl Azaarenes to N-Sulfonyl Aldimines via C-H Bond Activation","Journal of the American Chemical Society","2010","132","","3650","3651","10.1021/ja910104n","","","0.71073","MoKα","","0.0293","0.0286","","","0.0778","0.0784","","","","","","1.003","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102127","7.7112","0.0013","8.0808","0.0007","8.0888","0.0008","117.461","0.004","113.466","0.005","93.565","0.005","391.1","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cl2 N2 Pd -","- C14 H18 Cl2 N2 Pd -","- C14 H18 Cl2 N2 Pd -","1","0.5","","Bo Qian; Shengmei Guo; Jianping Shao; Qiming Zhu; Lei Yang; Chungu Xia; Hanmin Huang","Palladium-Catalyzed Benzylic Addition of 2-Methyl Azaarenes to N-Sulfonyl Aldimines via C-H Bond Activation","Journal of the American Chemical Society","2010","132","","3650","3651","10.1021/ja910104n","","","0.71073","MoKα","","0.0226","0.0224","","","0.0596","0.0598","","","","","","1.072","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102128","10.209","0.003","13.82","0.004","14.469","0.004","90","","101.249","0.005","90","","2002.2","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O2 S -","- C24 H22 N2 O2 S -","- C96 H88 N8 O8 S4 -","4","1","","Bo Qian; Shengmei Guo; Jianping Shao; Qiming Zhu; Lei Yang; Chungu Xia; Hanmin Huang","Palladium-Catalyzed Benzylic Addition of 2-Methyl Azaarenes to N-Sulfonyl Aldimines via C-H Bond Activation","Journal of the American Chemical Society","2010","132","","3650","3651","10.1021/ja910104n","","","0.71073","MoKα","","0.1141","0.0569","","","0.1263","0.1582","","","","","","0.972","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102129","20.083","0.003","22.576","0.004","34.101","0.006","81.279","0.009","88.262","0.009","82.512","0.009","15151","4","173","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C390 H515 Cd28 N42 O128 -","- C390 H531 Cd28 N42 O128 -","- C390 H531 Cd28 N42 O128 -","1","0.5","","Peter D. Frischmann; Glenn A. Facey; Phuong Y. Ghi; Amanda J. Gallant; David L. Bryce; Francesco Lelj; Mark J. MacLachlan","Capsule Formation, Carboxylate Exchange, and DFT Exploration of Cadmium Cluster Metallocavitands: Highly Dynamic Supramolecules","Journal of the American Chemical Society","2010","132","","3893","3908","10.1021/ja910419h","","","0.71073","MoKα","","0.1679","0.1158","","","0.2913","0.3266","","","","","","1.113","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102130","28.712","0.005","28.712","0.005","26.128","0.005","90","0.005","90","0.005","120","0.005","18654","6","173","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C33 H33 Cd3.5 N3 O14 -","- C33 H34.5 Cd3.5 N3 O14 -","- C396 H414 Cd42 N36 O168 -","12","0.333333","","Peter D. Frischmann; Glenn A. Facey; Phuong Y. Ghi; Amanda J. Gallant; David L. Bryce; Francesco Lelj; Mark J. MacLachlan","Capsule Formation, Carboxylate Exchange, and DFT Exploration of Cadmium Cluster Metallocavitands: Highly Dynamic Supramolecules","Journal of the American Chemical Society","2010","132","","3893","3908","10.1021/ja910419h","","","0.71069","MoKα","","0.1358","0.0911","","","0.2626","0.2992","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102131","9.694","0.005","13.247","0.006","13.861","0.007","90.283","0.008","97.568","0.007","99.833","0.008","1737.9","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","(Et3NH)[ReV(O)(PPh3)(ox)2]1.5EtOH","","","- C31 H40 N O10.5 P Re -","- C31 H40 N O10.5 P Re -","- C62 H80 N2 O21 P2 Re2 -","2","1","","Cameron A. Lippert; Stephen A. Arnstein; C. David Sherrill; Jake D. Soper","Redox-Active Ligands Facilitate Bimetallic O2 Homolysis at Five-Coordinate Oxorhenium(V) Centers","Journal of the American Chemical Society","2010","132","","3879","3892","10.1021/ja910500a","","","0.71073","MoKα","","0.0304","0.0278","","","0.0724","0.0738","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102132","13.6961","0.0017","23.198","0.003","15.4092","0.0019","90","","114.484","0.002","90","","4455.6","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Et3NH)[ReV(O)(apPh)2]0.25MeOH","","","- C46.25 H67 N3 O3.25 Re -","- C46.25 H67 N3 O3.25 Re -","- C185 H268 N12 O13 Re4 -","4","1","","Cameron A. Lippert; Stephen A. Arnstein; C. David Sherrill; Jake D. Soper","Redox-Active Ligands Facilitate Bimetallic O2 Homolysis at Five-Coordinate Oxorhenium(V) Centers","Journal of the American Chemical Society","2010","132","","3879","3892","10.1021/ja910500a","","","0.71073","MoKα","","0.0557","0.0433","","","0.0898","0.0951","","","","","","1.018","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102133","21.305","0.0004","11.085","0.0002","39.1021","0.0007","90","","90","","90","","9234.6","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Et4N)[ReVII(O)2(apPh)2]","","","- C48 H70 N3 O4 Re -","- C48 H70 N3 O4 Re -","- C384 H560 N24 O32 Re8 -","8","1","","Cameron A. Lippert; Stephen A. Arnstein; C. David Sherrill; Jake D. Soper","Redox-Active Ligands Facilitate Bimetallic O2 Homolysis at Five-Coordinate Oxorhenium(V) Centers","Journal of the American Chemical Society","2010","132","","3879","3892","10.1021/ja910500a","","","1.54178","CuKα","","0.0367","0.027","","","0.0609","0.0645","","","","","","1.022","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102134","18.014","0.004","24.694","0.005","26.113","0.005","90","","90","","90","","11616","4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37.75 N2 O7 -","- C31 H37.75 N2 O7 -","- C496 H604 N32 O112 -","16","4","","Daisuke Kato; Yoshikazu Sasaki; Dale L. Boger","Asymmetric Total Synthesis of Vindoline","Journal of the American Chemical Society","2010","132","","3685","3687","10.1021/ja910695e","","","0.71073","MoKα","","0.152","0.0784","","","0.1919","0.2458","","","","","","0.992","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102135","7.8185","0.0016","8.3688","0.0017","22.032","0.004","90","","95","0.03","90","","1436.1","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O7 -","- C30 H36 N2 O7 -","- C60 H72 N4 O14 -","2","1","","Daisuke Kato; Yoshikazu Sasaki; Dale L. Boger","Asymmetric Total Synthesis of Vindoline","Journal of the American Chemical Society","2010","132","","3685","3687","10.1021/ja910695e","","","0.71073","MoKα","","0.0979","0.0758","","","0.1988","0.219","","","","","","0.908","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102136","19.509","0.005","7.3756","0.0019","9.32","0.003","90","","90","","90","","1341.1","0.7","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C3.25 H2.25 Mn0.25 N0.25 O1.25 -","- C3.25 H2.25 Mn0.25 N0.25 O1.25 -","- C52 H36 Mn4 N4 O20 -","16","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.0524","0.0455","","","0.1133","0.118","","","","","","1.094","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102137","7.3206","0.0004","18.7916","0.0012","11.0189","0.0007","90","","90","","90","","1515.82","0.16","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H5.5 Mn0.5 N0.5 O2.5 -","- C7 H5.5 Mn0.5 N0.5 O2.5 -","- C56 H44 Mn4 N4 O20 -","8","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.0264","0.0248","","","0.0617","0.0627","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102138","7.4362","0.0012","10.2754","0.0016","10.923","0.003","114.436","0.004","104.89","0.004","96.042","0.003","712.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Mn N O5 -","- C15 H13 Mn N O5 -","- C30 H26 Mn2 N2 O10 -","2","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.0729","0.048","","","0.1094","0.1222","","","","","","1.027","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102139","18.2088","0.0011","17.7065","0.0011","13.3781","0.0008","90","","128.438","0.001","90","","3378.5","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 Mn N2 O6 -","- C16 H15 Mn N2 O6 -","- C128 H120 Mn8 N16 O48 -","8","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.0602","0.0475","","","0.1377","0.1465","","","","","","1.079","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102140","13.502","0.002","10.1978","0.0015","17.707","0.003","90","","90","","90","","2438.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Mn2 N2 O10 -","- C22 H22 Mn2 N2 O10 -","- C88 H88 Mn8 N8 O40 -","4","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.0883","0.0609","","","0.1521","0.1667","","","","","","1.087","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102141","17.627","0.003","18.138","0.003","12.564","0.002","90","","125.495","0.002","90","","3270.5","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Mn N O6 -","- C15 H14 Mn N O6 -","- C120 H112 Mn8 N8 O48 -","8","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.0736","0.0548","","","0.1434","0.1599","","","","","","1.063","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102142","16.37","0.005","19.019","0.005","11.193","0.005","90","0.005","119.543","0.005","90","0.005","3031.8","1.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 Mn N O5 -","- C13 H8 Mn N O5 -","- C104 H64 Mn8 N8 O40 -","8","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71069","MoKα","","0.0633","0.0442","","","0.1127","0.1256","","","","","","1.07","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102143","19.175","0.004","16.692","0.003","14.285","0.003","90","","130.087","0.002","90","","3498","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Mn N O5 -","- C19 H14 Mn N O5 -","- C152 H112 Mn8 N8 O40 -","8","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.0965","0.0685","","","0.1953","0.2253","","","","","","1.081","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102144","19.0453","0.0016","16.9279","0.0015","14.3358","0.0013","90","","130.83","0.001","90","","3497.1","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Mn N O5 -","- C20 H16 Mn N O5 -","- C160 H128 Mn8 N8 O40 -","8","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71073","MoKα","","0.1476","0.0747","","","0.178","0.2268","","","","","","1.03","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102145","19.229","0.005","16.683","0.005","14.391","0.005","90","0.005","130.181","0.005","90","0.005","3527.1","1.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Cl Mn N O5 -","- C19 H13 Cl Mn N O5 -","- C152 H104 Cl8 Mn8 N8 O40 -","8","1","","Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang","MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics","Journal of the American Chemical Society","2010","132","","3656","3657","10.1021/ja910818a","","","0.71069","MoKα","","0.1512","0.0731","","","0.1694","0.2237","","","","","","1.029","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102146","9.0923","0.0012","10.9151","0.0014","15.353","0.002","84.402","0.002","88.593","0.002","89.179","0.002","1515.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N3 O Pd -","- C16 H17 N3 O Pd -","- C64 H68 N12 O4 Pd4 -","4","2","","Dmitry Shabashov; Olafs Daugulis","Auxiliary-Assisted Palladium-Catalyzed Arylation and Alkylation of sp2 and sp3 Carbon-Hydrogen Bonds","Journal of the American Chemical Society","2010","132","","3965","3972","10.1021/ja910900p","","","0.71073","MoKα","","0.0524","0.0388","","","0.111","0.1279","","","","","","1.151","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102147","9.948","0.0009","10.5972","0.0009","11.8562","0.001","94.143","0.001","96.995","0.001","96.737","0.001","1227.27","0.18","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H25 Br2 Cl2 N3 O Pd -","- C20 H25 Br2 Cl2 N3 O Pd -","- C40 H50 Br4 Cl4 N6 O2 Pd2 -","2","1","","Dmitry Shabashov; Olafs Daugulis","Auxiliary-Assisted Palladium-Catalyzed Arylation and Alkylation of sp2 and sp3 Carbon-Hydrogen Bonds","Journal of the American Chemical Society","2010","132","","3965","3972","10.1021/ja910900p","","","0.71073","MoKα","","0.0337","0.0286","","","0.0786","0.0822","","","","","","1.008","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102148","10.5629","0.0008","11.9119","0.0009","12.1271","0.0009","64.813","0.001","75.015","0.001","82.151","0.001","1333.24","0.17","139","","139","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H90 Cl4 N6 O2 Re -","- C42 H90 Cl4 N6 O2 Re -","- C42 H90 Cl4 N6 O2 Re -","1","0.5","","T. David Harris; Miriam V. Bennett; Rodolphe Clérac; Jeffrey R. Long","[ReCl4(CN)2]2-: A High Magnetic Anisotropy Building Unit Giving Rise to the Single-Chain Magnets (DMF)4MReCl4(CN)2 (M = Mn, Fe, Co, Ni)","Journal of the American Chemical Society","2010","132","","3980","3988","10.1021/ja910963x","","","0.71073","MoKα","","0.0338","0.0337","","0.0859","0.0857","","","","1.045","1.046","1.046","","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102149","9.9185","0.0009","10.7121","0.001","14.026","0.0013","68.078","0.001","77.779","0.001","68.909","0.001","1284.7","0.2","149","","149","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H28 Cl4 Mn N6 O4 Re -","- C14 H24 Cl4 Mn N6 O4 Re -","- C28 H48 Cl8 Mn2 N12 O8 Re2 -","2","1","","T. David Harris; Miriam V. Bennett; Rodolphe Clérac; Jeffrey R. Long","[ReCl4(CN)2]2-: A High Magnetic Anisotropy Building Unit Giving Rise to the Single-Chain Magnets (DMF)4MReCl4(CN)2 (M = Mn, Fe, Co, Ni)","Journal of the American Chemical Society","2010","132","","3980","3988","10.1021/ja910963x","","","0.71073","MoKα","","0.0488","0.0366","","","0.0915","0.0995","","","","","","0.994","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102150","9.8745","0.0007","10.5846","0.0007","13.9378","0.001","68.131","0.004","78.315","0.004","69.294","0.004","1260.37","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H28 Cl4 Fe N6 O4 Re -","- C14 H24 Cl4 Fe N6 O4 Re -","- C28 H48 Cl8 Fe2 N12 O8 Re2 -","2","1","","T. David Harris; Miriam V. Bennett; Rodolphe Clérac; Jeffrey R. Long","[ReCl4(CN)2]2-: A High Magnetic Anisotropy Building Unit Giving Rise to the Single-Chain Magnets (DMF)4MReCl4(CN)2 (M = Mn, Fe, Co, Ni)","Journal of the American Chemical Society","2010","132","","3980","3988","10.1021/ja910963x","","","1.54178","CuKα","","0.0377","0.0306","","","0.0958","0.1026","","","","","","1.927","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102151","9.9575","0.001","10.5493","0.0013","13.9144","0.0014","67.882","0.001","86.275","0.001","69.659","0.002","1266","0.2","155","","155","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H28 Cl4 Co N6 O4 Re -","- C14 H24 Cl4 Co N6 O4 Re -","- C28 H48 Cl8 Co2 N12 O8 Re2 -","2","1","","T. David Harris; Miriam V. Bennett; Rodolphe Clérac; Jeffrey R. Long","[ReCl4(CN)2]2-: A High Magnetic Anisotropy Building Unit Giving Rise to the Single-Chain Magnets (DMF)4MReCl4(CN)2 (M = Mn, Fe, Co, Ni)","Journal of the American Chemical Society","2010","132","","3980","3988","10.1021/ja910963x","","","0.71073","MoKα","","0.0589","0.0401","","0.1133","0.1004","","","","1.004","1.062","1.062","","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102152","51.67","0.006","51.67","0.006","51.67","0.006","90","","90","","90","","137948","3","120","2","120","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C102 H194 Cu3 N16 O57 -","- C54 H24 Cu3 O15 -","- C1728 H768 Cu96 O480 -","32","0.166667","","Yong Yan; Irvin Telepeni; Sihai Yang; Xiang Lin; Winfried Kockelmann; Anne Dailly; Alexander J. Blake; William Lewis; Gavin S. Walker; David R. Allan; Sarah A. Barnett; Neil R. Champness; Martin Schröder","Metal-Organic Polyhedral Frameworks: High H2 Adsorption Capacities and Neutron Powder Diffraction Studies","Journal of the American Chemical Society","2010","132","","4092","4094","10.1021/ja1001407","","","0.6889","Synchrotron","","0.115","0.104","","","0.297","0.308","","","","","","1.18","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102153","6.2423","0.0009","8.328","0.0013","25.041","0.004","90","","90","","90","","1301.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br O3 -","- C14 H13 Br O3 -","- C56 H52 Br4 O12 -","4","1","","Qing Gu; Zi-Qiang Rong; Chao Zheng; Shu-Li You","Desymmetrization of Cyclohexadienones via Brønsted Acid-Catalyzed Enantioselective Oxo-Michael Reaction","Journal of the American Chemical Society","2010","132","","4056","4057","10.1021/ja100207s","","","0.71073","MoKα","","0.0594","0.0432","","","0.0935","0.0985","","","","","","0.882","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102154","12.1037","0.0009","12.5612","0.0009","15.1027","0.0011","90","","94.4358","0.0013","90","","2289.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 B11 Cl12 -","- C5 H11 B11 Cl12 -","- C20 H44 B44 Cl48 -","4","1","","Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed","Dialkyl Chloronium Ions","Journal of the American Chemical Society","2010","132","","4062","4063","10.1021/ja100297b","","","0.71073","MoKα","","0.0583","0.0448","","","0.1071","0.1153","","","","","","1.071","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102155","10.2876","0.0003","13.1974","0.0004","15.9965","0.0005","90","","90","","90","","2171.84","0.11","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C3 H7 B11 Cl12 -","- C3 H7 B11 Cl12 -","- C12 H28 B44 Cl48 -","4","0.5","","Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed","Dialkyl Chloronium Ions","Journal of the American Chemical Society","2010","132","","4062","4063","10.1021/ja100297b","","","0.71073","MoKα","","0.0301","0.0245","","","0.0603","0.0628","","","","","","1.061","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102156","11.5301","0.0003","13.0178","0.0003","15.2397","0.0004","87.068","0.001","86.218","0.002","67.149","0.001","2102.5","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H52 N6 O2 -","- C50 H52 N6 O2 -","- C100 H104 N12 O4 -","2","1","","Diego Bagnis; Luca Beverina; Hui Huang; Fabio Silvestri; Yan Yao; Henry Yan; Giorgio A. Pagani; Tobin J. Marks; Antonio Facchetti","Marked Alkyl- vs Alkenyl-Substitutent Effects on Squaraine Dye Solid-State Structure, Carrier Mobility, and Bulk-Heterojunction Solar Cell Efficiency","Journal of the American Chemical Society","2010","132","","4074","4075","10.1021/ja100520q","","","1.54178","CuKα","","0.053","0.0388","","","0.0976","0.1062","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102157","10.0064","0.0009","10.014","0.002","11.6495","0.0011","100.379","0.01","114.691","0.006","94.897","0.009","1026.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H48 N6 O2 -","- C50 H48 N6 O2 -","- C50 H48 N6 O2 -","1","0.5","","Diego Bagnis; Luca Beverina; Hui Huang; Fabio Silvestri; Yan Yao; Henry Yan; Giorgio A. Pagani; Tobin J. Marks; Antonio Facchetti","Marked Alkyl- vs Alkenyl-Substitutent Effects on Squaraine Dye Solid-State Structure, Carrier Mobility, and Bulk-Heterojunction Solar Cell Efficiency","Journal of the American Chemical Society","2010","132","","4074","4075","10.1021/ja100520q","","","1.54178","CuKα","","0.1151","0.055","","","0.1158","0.1403","","","","","","0.967","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102158","5.45891","0.0001","11.3397","0.0002","28.9935","0.0005","90","","90","","90","","1794.77","0.06","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N2 O2 -","- C20 H21 Br N2 O2 -","- C80 H84 Br4 N8 O8 -","4","1","","Takuya Hashimoto; Yuko Maeda; Masato Omote; Hiroki Nakatsu; Keiji Maruoka","Catalytic Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines with α,β-Unsaturated Aldehydes","Journal of the American Chemical Society","2010","132","","4076","4077","10.1021/ja100787a","","","1.54187","CuKα","","","0.0366","","","","0.0898","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102159","9.46167","0.00017","11.9002","0.0002","15.0505","0.0003","90","","90","","90","","1694.62","0.05","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C72 H104 N8 O8 -","4","1","","Takuya Hashimoto; Yuko Maeda; Masato Omote; Hiroki Nakatsu; Keiji Maruoka","Catalytic Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines with α,β-Unsaturated Aldehydes","Journal of the American Chemical Society","2010","132","","4076","4077","10.1021/ja100787a","","","1.54187","CuKα","","","0.0334","","","","0.0877","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102160","6.10829","0.00012","7.5097","0.00015","17.8862","0.0003","90","","93.2667","0.0012","90","","819.13","0.03","143.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C34 H48 N4 O4 -","2","1","","Takuya Hashimoto; Yuko Maeda; Masato Omote; Hiroki Nakatsu; Keiji Maruoka","Catalytic Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines with α,β-Unsaturated Aldehydes","Journal of the American Chemical Society","2010","132","","4076","4077","10.1021/ja100787a","","","1.54187","CuKα","","","0.049","","","","0.158","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102161","8.35231","0.00018","10.24","0.0002","9.641","0.0002","90","","91.1862","0.0014","90","","824.4","0.03","123.1","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C36 H52 N4 O4 -","2","1","","Takuya Hashimoto; Yuko Maeda; Masato Omote; Hiroki Nakatsu; Keiji Maruoka","Catalytic Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines with α,β-Unsaturated Aldehydes","Journal of the American Chemical Society","2010","132","","4076","4077","10.1021/ja100787a","","","1.54187","CuKα","","","0.0426","","","","0.1148","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102162","20.888","0.003","11.7854","0.0019","21.287","0.003","90","","119.255","0.001","90","","4571.9","1.2","143","1","143","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 N8 Ru2 -","- C50 H56 N8 Ru2 -","- C200 H224 N32 Ru8 -","4","0.5","","Noah L. Wieder; Michelle Gallagher; Patrick J. Carroll; Donald H. Berry","Evidence for Ligand Non-innocence in a Formally Ruthenium(I) Hydride Complex","Journal of the American Chemical Society","2010","132","","4107","4109","10.1021/ja100894h","","","0.71069","MoKα","","0.0642","0.0565","","","0.1353","0.1413","","","","","","1.115","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102163","30.748","0.018","7.12","0.004","15.932","0.009","90","","90","","90","","3488","3","150","2","150","2","","","","","","","","5","C m m m","-C 2 2","65","InPyrene","","","- C53 H53 In2 N3 O17 -","- C48 H24 In2 O10 -","- C96 H48 In4 O20 -","2","0.125","","Kyriakos C. Stylianou; Romain Heck; Samantha Y. Chong; John Bacsa; James T. A. Jones; Yaroslav Z. Khimyak; Darren Bradshaw; Matthew J. Rosseinsky","A Guest-Responsive Fluorescent 3D Microporous Metal-Organic Framework Derived from a Long-Lifetime Pyrene Core","Journal of the American Chemical Society","2010","132","","4119","4130","10.1021/ja906041f","","","0.71073","synchrotron","","0.0943","0.063","","","0.164","0.1741","","","","","","0.975","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102164","10.28","0.0002","12.077","0.0002","15.155","0.0003","104.021","0.001","97.014","0.001","110.291","0.001","1667.67","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H40 Mn3 N2 O9 Se3 -","- C25 H40 Mn3 N2 O9 Se3 -","- C50 H80 Mn6 N4 O18 Se6 -","2","1","","Minghuey Shieh; Chia-Hua Ho; Wen-Shyan Sheu; Horng-Wen Chen","Selective Insertion of Oxygen and Selenium into an Electron-Precise Paramagnetic Selenium-Manganese Carbonyl Cluster [Se6Mn6(CO)18]4-","Journal of the American Chemical Society","2010","132","","4032","4033","10.1021/ja9091566","","","0.71073","MoKα","","0.079","0.0689","","","0.1807","0.1948","","","","","","1.123","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102165","11.7889","0.0003","17.6115","0.0004","17.7074","0.0004","89.438","0.001","88.132","0.001","72.987","0.001","3513.66","0.14","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H80 Mn6 N4 O19 Se6 -","- C50 H80 Mn6 N4 O19 Se6 -","- C100 H160 Mn12 N8 O38 Se12 -","2","1","","Minghuey Shieh; Chia-Hua Ho; Wen-Shyan Sheu; Horng-Wen Chen","Selective Insertion of Oxygen and Selenium into an Electron-Precise Paramagnetic Selenium-Manganese Carbonyl Cluster [Se6Mn6(CO)18]4-","Journal of the American Chemical Society","2010","132","","4032","4033","10.1021/ja9091566","","","0.71073","MoKα","","0.0741","0.0524","","","0.1383","0.1507","","","","","","1.035","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102166","10.9764","0.0003","13.6988","0.0004","24.3835","0.0009","90","","92.289","0.001","90","","3663.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H80 Mn6 N4 O18 Se10 -","- C50 H80 Mn6 N4 O18 Se10 -","- C100 H160 Mn12 N8 O36 Se20 -","2","0.5","","Minghuey Shieh; Chia-Hua Ho; Wen-Shyan Sheu; Horng-Wen Chen","Selective Insertion of Oxygen and Selenium into an Electron-Precise Paramagnetic Selenium-Manganese Carbonyl Cluster [Se6Mn6(CO)18]4-","Journal of the American Chemical Society","2010","132","","4032","4033","10.1021/ja9091566","","","0.71073","MoKα","","0.1354","0.071","","","0.1806","0.2264","","","","","","1.05","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102167","15.0449","0.0008","15.0449","0.0008","81.101","0.006","90","","90","","120","","15897.7","1.7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C53.5 H87 Fe N3 P3 Si -","- C53.4 H86.85 Fe N2.97 P3 Si -","- C640.8 H1042.2 Fe12 N35.64 P36 Si12 -","12","0.333333","","Neal P. Mankad; Peter Müller; Jonas C. Peters","Catalytic N-N Coupling of Aryl Azides To Yield Azoarenes via trigonal Bipyramid Iron-Nitrene Intermediates","Journal of the American Chemical Society","2010","132","","4083","4085","10.1021/ja910224c","","","0.71073","MoKα","","0.0588","0.0516","","","0.1168","0.12","","","","","","1.21","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102168","13.4209","0.0018","14.619","0.002","21.192","0.003","90","","90","","90","","4157.9","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[SiPiPr3]Fe(NHTol)","","","- C43 H62 Fe N P3 Si -","- C43 H62 Fe N P3 Si -","- C172 H248 Fe4 N4 P12 Si4 -","4","1","","Neal P. Mankad; Peter Müller; Jonas C. Peters","Catalytic N-N Coupling of Aryl Azides To Yield Azoarenes via trigonal Bipyramid Iron-Nitrene Intermediates","Journal of the American Chemical Society","2010","132","","4083","4085","10.1021/ja910224c","","","0.71073","MoKα","","0.0587","0.0419","","","0.082","0.0899","","","","","","1.011","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102169","26.847","0.004","26.847","0.004","33.221","0.007","90","","90","","120","","20736","6","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C168 H222 Cl4 Mn25 N15 O112 -","- C168 H222 Cl4 Mn25 N15 O112 -","- C504 H666 Cl12 Mn75 N45 O336 -","3","0.333333","","Cai-Ming Liu; Ren-Gen Xiong; De-Qing Zhang; Dao-Ben Zhu","Nanoscale Homochiral C3-Symmetric Mixed-Valence Manganese Cluster Complexes with Both Ferromagnetic and Ferroelectric Properties","Journal of the American Chemical Society","2010","132","","4044","4045","10.1021/ja910310p","","","0.71073","MoKα","","0.08","0.0743","","","0.2139","0.2206","","","","","","1.101","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102170","26.933","0.004","26.933","0.004","33.251","0.007","90","","90","","120","","20888","6","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C168 H222 Cl4 Mn25 N15 O112 -","- C168 H222 Cl4 Mn25 N15 O112 -","- C504 H666 Cl12 Mn75 N45 O336 -","3","0.333333","","Cai-Ming Liu; Ren-Gen Xiong; De-Qing Zhang; Dao-Ben Zhu","Nanoscale Homochiral C3-Symmetric Mixed-Valence Manganese Cluster Complexes with Both Ferromagnetic and Ferroelectric Properties","Journal of the American Chemical Society","2010","132","","4044","4045","10.1021/ja910310p","","","0.71073","MoKα","","0.0672","0.0654","","","0.1816","0.1844","","","","","","1.085","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102171","8.5394","0.0004","10.3251","0.0005","16.5699","0.0008","94.324","0.004","101.046","0.003","114.318","0.003","1287.09","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 Si2 Ti -","- C28 H32 Si2 Ti -","- C56 H64 Si4 Ti2 -","2","1","","Martin Lamač; Anke Spannenberg; Wolfgang Baumann; Haijun Jiao; Christine Fischer; Sven Hansen; Perdita Arndt; Uwe Rosenthal","Si-H Bond Activation of Alkynylsilanes by Group 4 Metallocene Complexes","Journal of the American Chemical Society","2010","132","","4369","4380","10.1021/ja910527w","","","0.71073","MoKα","","0.0535","0.0322","","","0.0722","0.0757","","","","","","0.86","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102172","32.0481","0.001","9.1762","0.0002","20.1421","0.0007","90","","113.035","0.002","90","","5451.1","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H38 Hf Si4 -","- C22 H38 Hf Si4 -","- C176 H304 Hf8 Si32 -","8","1","","Martin Lamač; Anke Spannenberg; Wolfgang Baumann; Haijun Jiao; Christine Fischer; Sven Hansen; Perdita Arndt; Uwe Rosenthal","Si-H Bond Activation of Alkynylsilanes by Group 4 Metallocene Complexes","Journal of the American Chemical Society","2010","132","","4369","4380","10.1021/ja910527w","","","0.71073","MoKα","","0.0328","0.0199","","","0.0416","0.0433","","","","","","0.894","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102173","16.8109","0.0005","10.2196","0.0003","14.9047","0.0005","90","","109.929","0.002","90","","2407.3","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H35 Hf P Si2 -","- C20 H35 Hf P Si2 -","- C80 H140 Hf4 P4 Si8 -","4","1","","Martin Lamač; Anke Spannenberg; Wolfgang Baumann; Haijun Jiao; Christine Fischer; Sven Hansen; Perdita Arndt; Uwe Rosenthal","Si-H Bond Activation of Alkynylsilanes by Group 4 Metallocene Complexes","Journal of the American Chemical Society","2010","132","","4369","4380","10.1021/ja910527w","","","0.71073","MoKα","","0.066","0.0363","","","0.0652","0.0697","","","","","","0.972","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102174","8.1828","0.0002","10.4511","0.0003","20.5913","0.0006","88.056","0.002","84.173","0.002","80.283","0.002","1726.47","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 Hf Si4 -","- C38 H38 Hf Si4 -","- C76 H76 Hf2 Si8 -","2","1","","Martin Lamač; Anke Spannenberg; Wolfgang Baumann; Haijun Jiao; Christine Fischer; Sven Hansen; Perdita Arndt; Uwe Rosenthal","Si-H Bond Activation of Alkynylsilanes by Group 4 Metallocene Complexes","Journal of the American Chemical Society","2010","132","","4369","4380","10.1021/ja910527w","","","0.71073","MoKα","","0.0323","0.0246","","","0.0532","0.0543","","","","","","0.91","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102175","9.2758","0.0002","12.5624","0.0003","17.6005","0.0003","90","","90.212","0.001","90","","2050.91","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H58 I2 N4 O2 U -","- C38 H58 I2 N4 O2 U -","- C76 H116 I4 N8 O4 U2 -","2","0.5","","Zoë R. Turner; Ronan Bellabarba; Robert P. Tooze; Polly L. Arnold","Addition-Elimination Reactions across the M-C Bond of Metal N-Heterocyclic Carbenes","Journal of the American Chemical Society","2010","132","","4050","4051","10.1021/ja910673q","","","0.71073","MoKα","","0.0473","0.0403","","","0.0861","0.0888","","","","","","1.163","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102176","9.7094","0.0002","16.401","0.0004","16.4221","0.0004","106.65","0.001","94.867","0.001","106.296","0.001","2365.67","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H74 Ce I N4 O Si5 -","- C34 H74 Ce I N4 O Si5 -","- C68 H148 Ce2 I2 N8 O2 Si10 -","2","1","","Zoë R. Turner; Ronan Bellabarba; Robert P. Tooze; Polly L. Arnold","Addition-Elimination Reactions across the M-C Bond of Metal N-Heterocyclic Carbenes","Journal of the American Chemical Society","2010","132","","4050","4051","10.1021/ja910673q","","","0.71073","MoKα","","0.0403","0.0341","","","0.0691","0.0727","","","","","","1.142","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102177","13.71","0.0006","14.9679","0.0007","14.9982","0.0007","88.187","0.003","81.333","0.002","72.347","0.002","2899","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H172 Ce2 N14 O2 Si10 -","- C92 H172 Ce2 N14 O2 Si10 -","- C92 H172 Ce2 N14 O2 Si10 -","1","0.5","","Zoë R. Turner; Ronan Bellabarba; Robert P. Tooze; Polly L. Arnold","Addition-Elimination Reactions across the M-C Bond of Metal N-Heterocyclic Carbenes","Journal of the American Chemical Society","2010","132","","4050","4051","10.1021/ja910673q","","","0.71073","MoKα","","0.0546","0.0459","","","0.1029","0.1071","","","","","","1.178","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102178","9.6227","0.0008","16.3315","0.0013","16.4128","0.0014","106.924","0.004","94.311","0.004","106.275","0.004","2334","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H74 I N4 O Si5 Y -","- C34 H74 I N4 O Si5 Y -","- C68 H148 I2 N8 O2 Si10 Y2 -","2","1","","Zoë R. Turner; Ronan Bellabarba; Robert P. Tooze; Polly L. Arnold","Addition-Elimination Reactions across the M-C Bond of Metal N-Heterocyclic Carbenes","Journal of the American Chemical Society","2010","132","","4050","4051","10.1021/ja910673q","","","0.71073","MoKα","","0.0395","0.0296","","","0.069","0.073","","","","","","1.038","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102179","9.6898","0.0002","16.4169","0.0004","16.4228","0.0004","106.812","0.001","94.571","0.001","106.326","0.001","2362.84","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H74 I N4 O Si5 U -","- C34 H74 I N4 O Si5 U -","- C68 H148 I2 N8 O2 Si10 U2 -","2","1","","Zoë R. Turner; Ronan Bellabarba; Robert P. Tooze; Polly L. Arnold","Addition-Elimination Reactions across the M-C Bond of Metal N-Heterocyclic Carbenes","Journal of the American Chemical Society","2010","132","","4050","4051","10.1021/ja910673q","","","0.71073","MoKα","","0.0531","0.047","","","0.0938","0.0981","","","","","","1.213","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102180","20.3248","0.001","10.7829","0.0005","19.9568","0.0009","90","","110.601","0.002","90","","4094.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H56 N4 O Si4 U -","- C31 H56 N4 O Si4 U -","- C124 H224 N16 O4 Si16 U4 -","4","1","","Zoë R. Turner; Ronan Bellabarba; Robert P. Tooze; Polly L. Arnold","Addition-Elimination Reactions across the M-C Bond of Metal N-Heterocyclic Carbenes","Journal of the American Chemical Society","2010","132","","4050","4051","10.1021/ja910673q","","","0.71073","MoKα","","0.0456","0.0336","","","0.0755","0.0811","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102181","12.5342","0.0007","65.014","0.003","21.5322","0.001","90","","103.097","0.003","90","","17090.1","1.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H80 Ce N7 O Si4 -","- C41 H80 Ce N7 O Si4 -","- C492 H960 Ce12 N84 O12 Si48 -","12","3","","Zoë R. Turner; Ronan Bellabarba; Robert P. Tooze; Polly L. Arnold","Addition-Elimination Reactions across the M-C Bond of Metal N-Heterocyclic Carbenes","Journal of the American Chemical Society","2010","132","","4050","4051","10.1021/ja910673q","","","0.71073","MoKα","","0.1","0.0951","","0.0825","0.082","0.082","","","","","","1.1032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102182","11.2956","0.0011","11.9428","0.001","17.5109","0.0016","77.449","0.007","76.951","0.007","77.429","0.007","2210.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 O9 P Pd S -","- C38 H42 O9 P Pd S -","- C76 H84 O18 P2 Pd2 S2 -","2","1","","Damien Guironnet; Lucia Caporaso; Boris Neuwald; Inigo Göttker-Schnetmann; Luigi Cavallo; Stefan Mecking","Mechanistic Insights on Acrylate Insertion Polymerization","Journal of the American Chemical Society","2010","132","","4418","4426","10.1021/ja910760n","","","0.71073","MoKα","","0.0656","0.0488","","","0.1316","0.1393","","","","","","1.057","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4102183","8.3124","0.0003","9.5889","0.0003","21.4172","0.0006","90","","90","","90","","1707.1","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O6 -","- C18 H24 O6 -","- C72 H96 O24 -","4","1","","Hui Zhou; Kangjian Qiao; Zhizeng Gao; Michael J. Meehan; Jesse W.-H. Li; Xiling Zhao; Pieter C. Dorrestein; John C. Vederas; Yi Tang","Enzymatic Synthesis of Resorcylic Acid Lactones by Cooperation of Fungal Iterative Polyketide Synthases Involved in Hypothemycin Biosynthesis","Journal of the American Chemical Society","2010","132","","4530","4531","10.1021/ja100060k","","","0.71073","MoKα","","0.0283","0.0276","","","0.0764","0.0771","","","","","","1.04","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102184","5.6995","0.0014","5.6995","0.0014","23.799","0.006","90","","90","","120","","669.5","0.3","","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba0.208 Co0.208 F0.042 O0.542 -","- Ba0.416667 Co0.416667 F0.063375 O1.08333 -","- Ba10 Co10 F1.521 O25.9998 -","24","1","","Olivier Mentré; Houria Kabbour; Ghislaine Ehora; Grégory Tricot; Sylvie Daviero-Minaud; Myung-Hwan Whangbo","Anion-Vacancy-Induced Magneto-Crystalline Anisotropy in Fluorine-Doped hexagonal Cobaltites","Journal of the American Chemical Society","2010","132","","4865","4875","10.1021/ja100170m","","","0.71073","MoKα","","0.032","0.0227","","","0.0225","0.0234","","","","2.96","2.96","2.82","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102185","5.71","0.002","5.71","0.002","23.925","0.01","90","","90","","120","","675.5","0.4","","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba0.417 Co0.417 F0.083 O1.083 -","- Ba0.416667 Co0.416667 F0.063375 O1.08333 -","- Ba10 Co10 F1.521 O25.9998 -","24","1","","Olivier Mentré; Houria Kabbour; Ghislaine Ehora; Grégory Tricot; Sylvie Daviero-Minaud; Myung-Hwan Whangbo","Anion-Vacancy-Induced Magneto-Crystalline Anisotropy in Fluorine-Doped hexagonal Cobaltites","Journal of the American Chemical Society","2010","132","","4865","4875","10.1021/ja100170m","","","0.71073","MoKα","","0.0328","0.022","","","0.0221","0.023","","","","2.94","2.94","2.74","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102186","13.3502","0.0007","15.9899","0.0008","17.0757","0.0008","90","","90","","90","","3645.1","0.3","148","2","148","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O6 -","- C20 H25 N2 O6 -","- C160 H200 N16 O48 -","8","2","","Connor L. Martin; Larry E. Overman; Jason M. Rohde","Total Synthesis of (\±)- and (-)-Actinophyllic Acid","Journal of the American Chemical Society","2010","132","","4894","4906","10.1021/ja100178u","","","0.71073","MoKα","","0.0566","0.0521","","","0.1327","0.1368","","","","","","1.024","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4102187","11.3371","0.0006","16.2005","0.0009","18.065","0.001","90","","105.481","0.001","90","","3197.6","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N2 O8 S -","- C32 H40 N2 O8 S -","- C128 H160 N8 O32 S4 -","4","1","","Connor L. Martin; Larry E. Overman; Jason M. Rohde","Total Synthesis of (\±)- and (-)-Actinophyllic Acid","Journal of the American Chemical Society","2010","132","","4894","4906","10.1021/ja100178u","","","0.71073","MoKα","","0.0449","0.0361","","","0.0917","0.0974","","","","","","1.038","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102188","13.271","0.002","15.261","0.003","15.572","0.003","90","","90","","90","","3153.8","1","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O4.5 -","- C18 H18 N2 O4.5 -","- C144 H144 N16 O36 -","8","2","","Connor L. Martin; Larry E. Overman; Jason M. Rohde","Total Synthesis of (\±)- and (-)-Actinophyllic Acid","Journal of the American Chemical Society","2010","132","","4894","4906","10.1021/ja100178u","","","0.71073","MoKα","","0.0785","0.0647","","","0.1775","0.1882","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102189","4.83377","0.00008","12.57757","0.00018","14.80061","0.0003","90","","93.2827","0.0016","90","","898.36","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HBPTSMe","","","- C12 H8 N6 S4 Se4 -","- C12 H8 N6 S4 Se4 -","- C24 H16 N12 S8 Se8 -","2","0.5","","John S. Tse; Alicea A. Leitch; Xueyang Yu; Xuezhao Bao; Sijia Zhang; Qingqing Liu; Changqing Jin; Richard A. Secco; Serge Desgreniers; Yasuo Ohishi; Richard T. Oakley","Metallization of a Hypervalent Radical Dimer: Molecular and Band Perspectives","Journal of the American Chemical Society","2010","132","","4876","4886","10.1021/ja100216c","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.11541","","","","","","","","","has coordinates,has Fobs","178767","2020-10-21","18:00:00",""
"4102190","4.60771","0.00012","12.69423","0.0002","14.0065","0.0004","90","","89.3851","0.002","90","","819.21","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HBPTSMe","","","- C12 H8 N6 S4 Se4 -","- C12 H8 N6 S4 Se4 -","- C24 H16 N12 S8 Se8 -","2","0.5","","John S. Tse; Alicea A. Leitch; Xueyang Yu; Xuezhao Bao; Sijia Zhang; Qingqing Liu; Changqing Jin; Richard A. Secco; Serge Desgreniers; Yasuo Ohishi; Richard T. Oakley","Metallization of a Hypervalent Radical Dimer: Molecular and Band Perspectives","Journal of the American Chemical Society","2010","132","","4876","4886","10.1021/ja100216c","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.15233","","","","","","","","","has coordinates,has Fobs","178767","2020-10-21","18:00:00",""
"4102191","4.5743","0.00014","12.67862","0.00024","13.8297","0.0004","90","","88.6518","0.0026","90","","801.84","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HBPTSMe","","","- C6 H4 N3 S2 Se2 -","- C6 H4 N3 S2 Se2 -","- C24 H16 N12 S8 Se8 -","4","1","","John S. Tse; Alicea A. Leitch; Xueyang Yu; Xuezhao Bao; Sijia Zhang; Qingqing Liu; Changqing Jin; Richard A. Secco; Serge Desgreniers; Yasuo Ohishi; Richard T. Oakley","Metallization of a Hypervalent Radical Dimer: Molecular and Band Perspectives","Journal of the American Chemical Society","2010","132","","4876","4886","10.1021/ja100216c","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.11696","","","","","","","","","has coordinates,has Fobs","178767","2020-10-21","18:00:00",""
"4102192","3.94301","0.00009","14.08054","0.00031","13.2227","0.0004","90","","85.5588","0.0028","90","","731.92","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HBPTSMe","","","- C6 H4 N3 S2 Se2 -","- C6 H4 N3 S2 Se2 -","- C24 H16 N12 S8 Se8 -","4","1","","John S. Tse; Alicea A. Leitch; Xueyang Yu; Xuezhao Bao; Sijia Zhang; Qingqing Liu; Changqing Jin; Richard A. Secco; Serge Desgreniers; Yasuo Ohishi; Richard T. Oakley","Metallization of a Hypervalent Radical Dimer: Molecular and Band Perspectives","Journal of the American Chemical Society","2010","132","","4876","4886","10.1021/ja100216c","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.05868","","","","","","","","","has coordinates,has Fobs","178767","2020-10-21","18:00:00",""
"4102193","3.73682","0.00019","14.0175","0.0006","12.742","0.0009","90","","87.144","0.006","90","","666.61","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HBPTSMe","","","- C6 H4 N3 S2 Se2 -","- C6 H4 N3 S2 Se2 -","- C24 H16 N12 S8 Se8 -","4","1","","John S. Tse; Alicea A. Leitch; Xueyang Yu; Xuezhao Bao; Sijia Zhang; Qingqing Liu; Changqing Jin; Richard A. Secco; Serge Desgreniers; Yasuo Ohishi; Richard T. Oakley","Metallization of a Hypervalent Radical Dimer: Molecular and Band Perspectives","Journal of the American Chemical Society","2010","132","","4876","4886","10.1021/ja100216c","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.13519","","","","","","","","","has coordinates,has Fobs","178767","2020-10-21","18:00:00",""
"4102194","14.5313","0.0013","13.9827","0.0013","14.7422","0.0014","90","","90","","90","","2995.4","0.5","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","(Et4N)[Ni(PyN2(Me2))OH]","","","- C31 H42 N4 Ni O3 -","- C31 H22 N4 Ni O3 -","- C124 H88 N16 Ni4 O12 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0476","0.0462","","","0.1224","0.1242","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102195","15.881","0.004","9.182","0.002","10.685","0.002","90","","90","","90","","1558.1","0.6","100","2","100","2","","","","","","","","6","I m m 2","I 2 -2","44","(Et4N)[Ni(PyN2(Me2))Cl].CH2Cl2","","","- C32 H43 Cl3 N4 Ni O2 -","- C32 H21 Cl3 N4 Ni O2 -","- C64 H42 Cl6 N8 Ni2 O4 -","2","0.25","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0614","0.06","","","0.1639","0.1657","","","","","","1.139","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102196","15.698","0.008","9.143","0.005","10.847","0.005","90","","90","","90","","1556.8","1.4","100","2","100","2","","","","","","","","6","I m m 2","I 2 -2","44","(Et4N)[Ni(PyN2(Me2))SH]","","","- C31 H42 N4 Ni O2 S -","- C31 H22 N4 Ni O2 S -","- C62 H44 N8 Ni2 O4 S2 -","2","0.25","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0514","0.0476","","","0.122","0.125","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102197","18.421","0.005","14.485","0.004","11.217","0.003","90","","90","","90","","2993","1.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(Et4N)[Ni(PyN2(Me2))HCO2]","","","- C32 H42 N4 Ni O4 -","- C32 H42 N4 Ni O4 -","- C128 H168 N16 Ni4 O16 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0952","0.0855","","","0.2115","0.2152","","","","","","1.273","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102198","15.572","0.005","9.016","0.003","10.919","0.004","90","","90","","90","","1533","0.9","100","2","100","2","","","","","","","","5","I m m 2","I 2 -2","44","(Et4N)[Ni(PyN2(Me2))CN]","","","- C32 H41 N5 Ni O2 -","- C32 H21 N5 Ni O2 -","- C64 H42 N10 Ni2 O4 -","2","0.25","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0391","0.0383","","","0.1021","0.1036","","","","","","1.1","","","","has coordinates","194617","2020-10-21","18:00:00",""
"4102199","16.056","0.004","14.017","0.004","17.828","0.005","90","","90","","90","","4012.3","1.9","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","[Ni(PyN2(Me2))(CN)Fe(Me6tren)](OTf)","","","- C37 H51 F3 Fe N8 Ni O5 S -","- C37 H52 F3 Fe N8 Ni O5 S -","- C148 H208 F12 Fe4 N32 Ni4 O20 S4 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0792","0.0566","","","0.1368","0.1488","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102200","7.857","0.002","13.443","0.004","15.249","0.005","73.508","0.005","77.465","0.005","83.423","0.005","1505.1","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","[H2PyN2dien(Me3)](2HCl).MeOH.0.25H2O","","","- C29 H40.5 Cl2 N6 O3.25 -","- C29 H38.5 Cl2 N6 O3.25 -","- C58 H77 Cl4 N12 O6.5 -","2","1","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0778","0.0608","","","0.1498","0.162","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102201","25.599","0.007","14.354","0.004","9.927","0.003","90","","90","","90","","3647.7","1.8","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(Et4N)[Ni(PyN2dien(Me3))OH]","","","- C36 H53 N7 Ni O3 -","- C36 H33 N7 Ni O3 -","- C144 H132 N28 Ni4 O12 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0896","0.0787","","","0.2189","0.2362","","","","","","1.067","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102202","8.726","0.004","17.818","0.007","17.063","0.007","90","","100.087","0.007","90","","2611.9","1.9","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ni(OH)FeCl(PyN2dien(Me3))]","","","- C28 H33 Cl Fe N6 Ni O3 -","- C28 H33 Cl Fe N6 Ni O3 -","- C112 H132 Cl4 Fe4 N24 Ni4 O12 -","4","1","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.1073","0.0556","","","0.1165","0.1389","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102203","17.3841","0.0008","20.4346","0.0011","19.492","0.0009","90","","112.377","0.003","90","","6402.9","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2{[Ni(HCO2)FeCl(PyN2dien(Me3))].HCOOEt}","","","- C64 H78 Cl2 Fe2 N12 Ni2 O12 -","- C64 H72 Cl2 Fe2 N12 Ni2 O12 -","- C256 H288 Cl8 Fe8 N48 Ni8 O48 -","4","1","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.1104","0.0586","","","0.1312","0.1568","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102204","8.6717","0.0012","20.35","0.003","17.491","0.002","90","","101.218","0.002","90","","3027.6","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ni(CN)FeCl(PyN2dien(Me3))].MeOH","","","- C30 H36 Cl Fe N7 Ni O3 -","- C30 H36 Cl Fe N7 Ni O3 -","- C120 H144 Cl4 Fe4 N28 Ni4 O12 -","4","1","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0492","0.0373","","","0.0895","0.0958","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102205","12.2514","0.0009","17.3166","0.0014","15.1327","0.0011","90","","94.188","0.004","90","","3201.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Et4N)[Pd(PyN2(Me2))HCO3]","","","- C32 H42 N4 O5 Pd -","- C32 H42 N4 O5 Pd -","- C128 H168 N16 O20 Pd4 -","4","1","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0768","0.0624","","","0.1518","0.1679","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102206","12.8112","0.0018","16.671","0.002","14.266","0.002","90","","90.532","0.002","90","","3046.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Et4N)[Ni(PyN2(Me2))OMe]","","","- C32 H44 N4 Ni O3 -","- C32 H44 N4 Ni O3 -","- C128 H176 N16 Ni4 O12 -","4","1","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0564","0.0472","","","0.1237","0.132","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102207","17.494","0.003","12.92","0.002","14.762","0.002","90","","90","","90","","3336.5","0.9","97","2","97","2","","","","","","","","5","P n n m","-P 2 2n","58","(Et4N)[Ni(PyN2(Me2))HCO3] H2O","","","- C32 H44 N4 Ni O6 -","- C32 H22 N4 Ni O6 -","- C128 H88 N16 Ni4 O24 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0861","0.0777","","","0.2093","0.2158","","","","","","1.196","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102208","14.461","0.005","13.742","0.005","14.839","0.005","90","","90","","90","","2948.9","1.8","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","(Et4N)[Pd(PyN2(Me2))OH]","","","- C31 H42 N4 O3 Pd -","- C31 H22 N4 O3 Pd -","- C124 H88 N16 O12 Pd4 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0526","0.0461","","","0.1104","0.1158","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102209","8.084","0.003","12.625","0.004","17.015","0.006","90","","103.119","0.005","90","","1691.2","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N O2 S -","- C18 H25 N O2 S -","- C72 H100 N4 O8 S4 -","4","1","","Qian Li; Zhi-Xiang Yu","Conjugated Diene-Assisted Allylic C-H Bond Activation: Cationic Rh(I)-Catalyzed Syntheses of Polysubstituted Tetrahydropyrroles, Tetrahydrofurans, and Cyclopentanes from Ene-2-Dienes","Journal of the American Chemical Society","2010","132","","4542","4543","10.1021/ja100409b","","","0.71073","MoKα","","0.0653","0.0597","","","0.1415","0.1455","","","","","","1.171","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102210","11.8748","0.0005","15.8767","0.0007","16.875","0.0007","85.109","0.001","83.954","0.001","80.518","0.001","3113.1","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C39.75 H34.5 Cl2.5 N2 -","- C39.75 H34.5 Cl2.5 N2 -","- C159 H138 Cl10 N8 -","4","2","","Norito Takenaka; Jinshui Chen; Burjor Captain; Robindro Singh Sarangthem; Appayee Chandrakumar","Helical Chiral 2-Aminopyridinium Ions: A New Class of Hydrogen Bond Donor Catalysts","Journal of the American Chemical Society","2010","132","","4536","4537","10.1021/ja100539c","","","0.71073","MoKα","","0.0713","0.058","","","0.1508","0.1627","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102211","14.785","0.003","15.378","0.003","16.624","0.003","90","","90","","90","","3779.7","1.3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 Cl2 O7 Rh2 S4 -","- C28 H50 Cl2 O7 Rh2 S4 -","- C112 H200 Cl8 O28 Rh8 S16 -","4","1","","Jun Chen; Junmin Chen; Feng Lang; Xiangyang Zhang; Linfeng Cun; Jin Zhu; Jingen Deng; Jian Liao","AC2-Symmetric Chiral Bis-Sulfoxide Ligand in a Rhodium-Catalyzed Reaction: Asymmetric 1,4-Addition of Sodium Tetraarylborates to Chromenones","Journal of the American Chemical Society","2010","132","","4552","4553","10.1021/ja1005477","","","0.71073","MoKα","","0.0869","0.0793","","","0.1841","0.1915","","","","","","1.076","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102212","17.3177","0.0005","19.45","0.0005","20.2626","0.0006","90","","132.758","0.0008","90","","5011.2","0.3","153.1","","153.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl2 N3 V -","- C24 H23 Cl2 N3 V -","- C192 H184 Cl16 N24 V8 -","8","2","","Shu Zhang; Kotohiro Nomura","Highly Efficient Dimerization of Ethylene by (Imido)vanadium Complexes Containing (2-Anilidomethyl)pyridine Ligands: Notable Ligand Effect toward Activity and Selectivity","Journal of the American Chemical Society","2010","132","","4960","4965","10.1021/ja100573d","","","0.71075","MoKα","","","0.0448","","","","0.1323","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102213","12.0709","0.0004","12.539","0.0005","15.2621","0.0005","90","","90","","90","","2310.03","0.14","113.1","","113.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Cl2 N3 V -","- C24 H30 Cl2 N3 V -","- C96 H120 Cl8 N12 V4 -","4","1","","Shu Zhang; Kotohiro Nomura","Highly Efficient Dimerization of Ethylene by (Imido)vanadium Complexes Containing (2-Anilidomethyl)pyridine Ligands: Notable Ligand Effect toward Activity and Selectivity","Journal of the American Chemical Society","2010","132","","4960","4965","10.1021/ja100573d","","","0.71075","MoKα","","","0.0169","","","","0.0519","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102214","10.0663","0.0018","10.537","0.002","13.172","0.003","96.887","0.005","96.829","0.006","91.582","0.005","1376","0.5","103.1","","103.1","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 Cl2 N3 V -","- C28 H38 Cl2 N3 V -","- C56 H76 Cl4 N6 V2 -","2","1","","Shu Zhang; Kotohiro Nomura","Highly Efficient Dimerization of Ethylene by (Imido)vanadium Complexes Containing (2-Anilidomethyl)pyridine Ligands: Notable Ligand Effect toward Activity and Selectivity","Journal of the American Chemical Society","2010","132","","4960","4965","10.1021/ja100573d","","","0.71075","MoKα","","","0.0343","","","","0.0925","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102215","7.5885","0.0004","15.7841","0.001","18.8905","0.0011","109.622","0.004","96.022","0.004","92.315","0.004","2112.6","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H21 B11 Cl6 Si -","- C7 H21 B11 Cl6 Si -","- C28 H84 B44 Cl24 Si4 -","4","2","","Christos Douvris; C. M. Nagaraja; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov","Hydrodefluorination and Other Hydrodehalogenation of Aliphatic Carbon-Halogen Bonds Using Silylium Catalysis","Journal of the American Chemical Society","2010","132","","4946","4953","10.1021/ja100605m","","","0.71073","MoKα","","0.0766","0.0398","","0.0882","0.0772","0.0882","","","","","","0.94","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102216","5.2487","0.001","9.0689","0.0018","23.581","0.005","90","","90","","90","","1122.5","0.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 Br O -","- C12 H15 Br O -","- C48 H60 Br4 O4 -","4","1","","Jian-Bo Xie; Jian-Hua Xie; Xiao-Yan Liu; Wei-Ling Kong; Shen Li; Qi-Lin Zhou","Highly Enantioselective Hydrogenation of α-Arylmethylene Cycloalkanones Catalyzed by Iridium Complexes of Chiral Spiro Aminophosphine Ligands","Journal of the American Chemical Society","2010","132","","4538","4539","10.1021/ja100652f","","","0.7107","MoKα","","0.0404","0.0307","","","0.0597","0.0644","","","","","","0.995","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102217","8.8803","0.0008","9.2429","0.0008","11.5508","0.0011","95.288","0.003","96.482","0.003","102.289","0.003","913.82","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N O4 S -","- C19 H23 N O4 S -","- C38 H46 N2 O8 S2 -","2","1","","Manuel R. Fructos; Eleuterio Álvarez; M. Mar Díaz-Requejo; Pedro J. Pérez","Selective Synthesis of N-Substituted 1,2-Dihydropyridines from Furans by Copper-Induced Concurrent Tandem Catalysis","Journal of the American Chemical Society","2010","132","","4600","4607","10.1021/ja1006614","","","0.71073","MoKα","","0.036","0.0339","","","0.0936","0.096","","","","","","1.052","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102218","16.34","0.003","17.121","0.003","36.538","0.007","90","","90","","90","","10222","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C87 H140 N18 O21 -","- C87 H140 N18 O21 -","- C348 H560 N72 O84 -","4","1","","Jordi Solà; Madeleine Helliwell; Jonathan Clayden","N- versus C-Terminal Control over the Screw-Sense Preference of the Configurationally Achiral, Conformationally Helical Peptide Motif Aib8GlyAib8","Journal of the American Chemical Society","2010","132","","4548","4549","10.1021/ja100662d","","","0.71073","MoKα","","0.0767","0.0725","","","0.1474","0.1493","","","","","","1.155","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102219","11.65","0.0004","5.8419","0.0003","15.9102","0.0007","90","","90","","90","","1082.82","0.08","193","2","193","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C40 H40 N8 O16 -","4","0.5","","Matthew J. Kryger; Mitchell T. Ong; Susan A. Odom; Nancy R. Sottos; Scott R. White; Todd J. Martinez; Jeffrey S. Moore","Masked Cyanoacrylates Unveiled by Mechanical Force","Journal of the American Chemical Society","2010","132","","4558","4559","10.1021/ja1008932","","","0.71073","MoKα","","0.0428","0.0364","","","0.0912","0.0974","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102220","5.9857","0.0009","9.3466","0.0015","9.4874","0.0015","93.652","0.003","100.48","0.003","95.083","0.003","518.15","0.14","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C20 H20 N4 O8 -","2","1","","Matthew J. Kryger; Mitchell T. Ong; Susan A. Odom; Nancy R. Sottos; Scott R. White; Todd J. Martinez; Jeffrey S. Moore","Masked Cyanoacrylates Unveiled by Mechanical Force","Journal of the American Chemical Society","2010","132","","4558","4559","10.1021/ja1008932","","","0.71073","MoKα","","0.0376","0.0337","","","0.0923","0.0947","","","","","","1.157","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102221","5.4948","0.0005","7.2202","0.0007","19.2488","0.0018","90","","91.345","0.001","90","","763.46","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O2 P2 -","- C16 H20 O2 P2 -","- C32 H40 O4 P4 -","2","0.5","","Marlena P. Washington; Vittal B. Gudimetla; Feng L. Laughlin; Nihal Deligonul; Susan He; John L. Payton; M. Cather Simpson; John D. Protasiewicz","Phosphorus Can Also Be a ""Photocopy""","Journal of the American Chemical Society","2010","132","","4566","4567","10.1021/ja1009426","","","0.71073","MoKα","","0.0297","0.0291","","","0.0849","0.0856","","","","","","1.089","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102222","13.6566","0.0001","14.8733","0.0002","23.5763","0.0003","76.5761","0.0005","76.9145","0.0005","80.9145","0.0005","4508.87","0.09","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C80 H83 B4 Cl16 F Fe2 N2 P4 -","- C80 H83 B4 Cl16 F Fe2 N2 P4 -","- C160 H166 B8 Cl32 F2 Fe4 N4 P8 -","2","1","","David A. Addy; Glesni A. Pierce; Dragoslav Vidovic; Dibyendu Mallick; Eluvathingal D. Jemmis; Jose M. Goicoechea; Simon Aldridge","Generation of Cationic Two-Coordinate Group-13 Ligand Systems by Spontaneous Halide Ejection: Remarkably Nucleophile-Resistant (Dimethylamino)borylene Complexes","Journal of the American Chemical Society","2010","132","","4586","4588","10.1021/ja101192e","","","0.71073","MoKα","","0.072","0.0551","","0.1459","0.1295","0.1459","","","","","","0.9206","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102223","31.455","0.0006","7.983","0.0002","18.2228","0.0004","90","","124.636","0.0011","90","","3764.89","0.15","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H25 Cl3 Fe O P2 -","- C13 H25 Cl3 Fe O P2 -","- C104 H200 Cl24 Fe8 O8 P16 -","8","1","","David A. Addy; Glesni A. Pierce; Dragoslav Vidovic; Dibyendu Mallick; Eluvathingal D. Jemmis; Jose M. Goicoechea; Simon Aldridge","Generation of Cationic Two-Coordinate Group-13 Ligand Systems by Spontaneous Halide Ejection: Remarkably Nucleophile-Resistant (Dimethylamino)borylene Complexes","Journal of the American Chemical Society","2010","132","","4586","4588","10.1021/ja101192e","","","0.71073","MoKα","","0.0753","0.0429","","0.0894","0.0789","0.0894","","","","","","0.952","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102224","16.3137","0.0002","11.816","0.0001","19.2319","0.0002","90","","109.689","0.0006","90","","3490.45","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 B2 Fe N P2 -","- C37 H47 B2 Fe N P2 -","- C148 H188 B8 Fe4 N4 P8 -","4","1","","David A. Addy; Glesni A. Pierce; Dragoslav Vidovic; Dibyendu Mallick; Eluvathingal D. Jemmis; Jose M. Goicoechea; Simon Aldridge","Generation of Cationic Two-Coordinate Group-13 Ligand Systems by Spontaneous Halide Ejection: Remarkably Nucleophile-Resistant (Dimethylamino)borylene Complexes","Journal of the American Chemical Society","2010","132","","4586","4588","10.1021/ja101192e","","","0.71073","MoKα","","0.066","0.0429","","0.1068","0.0968","0.1067","","","","","","0.9703","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102225","9.6979","0.0002","5.6619","0.0001","16.9349","0.0003","90","","95.952","0.001","90","","924.86","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 O5 S -","- C18 H24 O5 S -","- C36 H48 O10 S2 -","2","1","","Jianwei Sun; Gregory C. Fu","Phosphine-Catalyzed Formation of Carbon-Sulfur Bonds: Catalytic Asymmetric Synthesis of γ-Thioesters","Journal of the American Chemical Society","2010","132","","4568","4569","10.1021/ja101251d","","","1.54178","CuKα","","0.0259","0.0258","","","0.0658","0.0659","","","","","","1.049","","","","has coordinates,has disorder","178768","2020-10-21","18:00:00",""
"4102226","13.6501","0.0006","34.1296","0.0014","20.1054","0.0008","90","","99.195","0.001","90","","9246.2","0.7","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H98 Ag4 F24 N18 P4 -","- C72 H98 Ag4 F24 N18 P4 -","- C288 H392 Ag16 F96 N72 P16 -","4","1","","Arnab Rit; Tania Pape; F. Ekkehardt Hahn","Self-Assembly of Molecular Cylinders from Polycarbene Ligands and AgI or AuI","Journal of the American Chemical Society","2010","132","","4572","4573","10.1021/ja101490d","","","0.71073","MoKα","","0.0952","0.0508","","","0.1093","0.1287","","","","","","1.004","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102227","15.02","0.002","21.071","0.003","22.15","0.003","90","","90.546","0.002","90","","7009.9","1.7","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H60.5 Au3 F18 N13.5 O P3 -","- C48.5 H48 Au3 F18 N13.5 O P3 -","- C194 H192 Au12 F72 N54 O4 P12 -","4","1","","Arnab Rit; Tania Pape; F. Ekkehardt Hahn","Self-Assembly of Molecular Cylinders from Polycarbene Ligands and AgI or AuI","Journal of the American Chemical Society","2010","132","","4572","4573","10.1021/ja101490d","","","0.71073","MoKα","","0.0605","0.0392","","","0.1019","0.1135","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102228","10.072","","14.077","","11.528","","90","","108.1","","90","","1553.6","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs2 H5 O16 V5 -","- Cs2 H5 O16 V5 -","- Cs8 H20 O64 V20 -","4","1","","Lionel A. Truflandier; Florent Boucher; Christophe Payen; Redouane Hajjar; Yannick Millot; Christian Bonhomme; Nathalie Steunou","DFT-NMR Investigation and 51V 3QMAS Experiments for Probing Surface OH Ligands and the Hydrogen-Bond Network in a Polyoxovanadate Cluster: The Case of Cs4[H2V10O28].4H2O","Journal of the American Chemical Society","2010","132","","4653","4668","10.1021/ja908973y","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102229","9.323","0.0004","11.6735","0.0005","11.7514","0.0005","87.448","0.002","73.626","0.002","67.519","0.002","1130.92","0.09","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N3 Pt -","- C25 H32 N3 Pt -","- C50 H64 N6 Pt2 -","2","1","","Joanna R. Webb; Aaron W. Pierpont; Colleen Munro-Leighton; T. Brent Gunnoe; Thomas R. Cundari; Paul D. Boyle","Net Hydrogenation of Pt-NHPh Bond Is Catalyzed by Elemental Pt","Journal of the American Chemical Society","2010","132","","4520","4521","10.1021/ja9102309","","","0.7107","MoKα","","0.043","0.0316","","","0.0605","0.0647","","","","","","1.001","","","","has coordinates,has disorder","178768","2020-10-21","18:00:00",""
"4102230","12.3661","0.0017","6.1734","0.0009","22.174","0.003","90","","98.769","0.002","90","","1673","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 O2 S -","- C18 H19 N3 O2 S -","- C72 H76 N12 O8 S4 -","4","1","","Shigeru Arai; Yuka Koike; Hirohiko Hada; Atsushi Nishida","Catalytic Dicyanative [4+2] Cycloaddition Triggered by Cyanopalladation of Conjugated Enynes under Aerobic Conditions","Journal of the American Chemical Society","2010","132","","4522","4523","10.1021/ja910451j","","","0.71073","MoKα","","0.0881","0.0474","","","0.0955","0.1091","","","","","","1.013","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102231","13.255","0.004","7.968","0.003","16.547","0.005","90","","101.148","0.005","90","","1714.6","1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O2 S -","- C18 H19 N3 O2 S -","- C72 H76 N12 O8 S4 -","4","1","","Shigeru Arai; Yuka Koike; Hirohiko Hada; Atsushi Nishida","Catalytic Dicyanative [4+2] Cycloaddition Triggered by Cyanopalladation of Conjugated Enynes under Aerobic Conditions","Journal of the American Chemical Society","2010","132","","4522","4523","10.1021/ja910451j","","","0.71073","MoKα","","0.0903","0.0458","","","0.0744","0.0891","","","","","","0.98","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102232","33.311","0.006","33.311","0.006","7.6091","0.0018","90","","90","","90","","8443","3","93","2","93","0.2","","","","","","","","6","P 42/n :2","-P 4bc","86","","2-[2-(4,5-Dibromo-[1,3]dithiol-2-ylidene)-1,3-benzodithiol-5-yl]- 4,4,5,5-tetramethyl imidazoline-3-oxide-1-oxyl","","- C17 H15 Br2 N2 O2 S4 -","- C17 H15 Br2 N2 O2 S4 -","- C272 H240 Br32 N32 O32 S64 -","16","2","","Hideji Komatsu; Michio M. Matsushita; Shigefumi Yamamura; Yoko Sugawara; Kentaro Suzuki; Tadashi Sugawara","Influence of Magnetic Field upon the Conductance of a Unicomponent Crystal of a Tetrathiafulvalene-Based Nitronyl Nitroxide","Journal of the American Chemical Society","2010","132","","4528","4529","10.1021/ja9109538","","","0.71073","MoKα","","0.201","0.135","","","0.3503","0.3838","","","","","","1.118","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102233","9.9621","0.0002","11.4794","0.0003","21.7107","0.0006","90","","90","","90","","2482.81","0.11","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O5 -","- C28 H32 N2 O5 -","- C112 H128 N8 O20 -","4","1","","Mujeeb Khan; Volker Enkelmann; Gunther Brunklaus","Crystal Engineering of Pharmaceutical Co-crystals: Application of Methyl Paraben as Molecular Hook","Journal of the American Chemical Society","2010","132","","5254","5263","10.1021/ja100146f","","","0.71073","MoKα","","0.0677","0.0374","","0.0567","0.0416","0.0416","","","","","","1.109","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102234","8.5337","0.0009","10.3702","0.0006","13.3899","0.0012","69.135","0.008","82.489","0.01","67.433","0.008","1022.44","0.17","143","1","143","1","","","","","","","","5","P 1","P 1","1","","","","- C24 H24 Br N O2 -","- C24 H24 Br N O2 -","- C48 H48 Br2 N2 O4 -","2","2","","Sebastian Rendler; David W. C. MacMillan","Enantioselective Polyene Cyclization via Organo-SOMO Catalysis","Journal of the American Chemical Society","2010","132","","5027","5029","10.1021/ja100185p","","","0.71073","MoKα","","0.0441","0.0408","","","0.0986","0.1036","","","","","","1.096","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102235","7.7406","0.0006","25.5147","0.0018","14.5225","0.0011","90","","91.63","0.003","90","","2867","0.4","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O -","- C17 H19 N O -","- C136 H152 N8 O8 -","8","4","","Sebastian Rendler; David W. C. MacMillan","Enantioselective Polyene Cyclization via Organo-SOMO Catalysis","Journal of the American Chemical Society","2010","132","","5027","5029","10.1021/ja100185p","","","0.71073","MoKα","","0.12","0.0838","","","0.1914","0.2158","","","","","","1.143","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102236","13.0078","0.0003","6.8941","0.0002","21.3275","0.0006","90","","91.374","0.002","90","","1912.04","0.09","153","1","153","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H31 N O3 -","- C23 H29 N O3 -","- C92 H116 N4 O12 -","4","1","","Sebastian Rendler; David W. C. MacMillan","Enantioselective Polyene Cyclization via Organo-SOMO Catalysis","Journal of the American Chemical Society","2010","132","","5027","5029","10.1021/ja100185p","","","1.54178","CuKα","","0.0528","0.0389","","","0.0957","0.1215","","","","","","1.143","","","","has coordinates,has disorder","178768","2020-10-21","18:00:00",""
"4102237","15.922","0.003","20.076","0.004","19.176","0.003","90","","121.573","0.01","90","","5222.3","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H40 B F20 N2 Pd -","- C55 H40 B F20 N2 Pd -","- C220 H160 B4 F80 N8 Pd4 -","4","1","","Changle Chen; Shuji Luo; Richard F. Jordan","Cationic Polymerization and Insertion Chemistry in the Reactions of Vinyl Ethers with (α-Diimine)PdMe+ Species","Journal of the American Chemical Society","2010","132","","5273","5284","10.1021/ja100491y","","","0.71073","MoKα","","0.0664","0.0435","","","0.0972","0.1042","","","","","","0.982","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102238","8.879","0.0004","20.7162","0.0007","24.1069","0.0008","90","","90","","90","","4434.2","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45.5 H59 Br2 O6 -","- C45.5 H59 Br2 O6 -","- C182 H236 Br8 O24 -","4","1","","Matthew A. Boone; Rongbiao Tong; Frank E. McDonald; Sheri Lense; Rui Cao; Kenneth I. Hardcastle","Biomimetic Syntheses from Squalene-Like Precursors: Synthesis of ent-Abudinol B and Reassessment of the Structure of Muzitone","Journal of the American Chemical Society","2010","132","","5300","5308","10.1021/ja1006806","","","1.54178","CuKα","","0.065","0.0553","","","0.1567","0.1651","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102239","13.2539","0.0017","7.4121","0.0009","16.7467","0.0018","90","","101.349","0.006","90","","1613","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H54 O6 -","- C34 H54 O6 -","- C68 H108 O12 -","2","1","","Matthew A. Boone; Rongbiao Tong; Frank E. McDonald; Sheri Lense; Rui Cao; Kenneth I. Hardcastle","Biomimetic Syntheses from Squalene-Like Precursors: Synthesis of ent-Abudinol B and Reassessment of the Structure of Muzitone","Journal of the American Chemical Society","2010","132","","5300","5308","10.1021/ja1006806","","","1.54178","CuKα","","0.098","0.0608","","","0.1614","0.2206","","","","","","1.131","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102240","16.924","0.014","7.236","0.006","39.64","0.03","90","","98.926","0.01","90","","4796","7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H56 N2 O12 -","- C44 H56 N2 O12 -","- C176 H224 N8 O48 -","4","2","","Matthew A. Boone; Rongbiao Tong; Frank E. McDonald; Sheri Lense; Rui Cao; Kenneth I. Hardcastle","Biomimetic Syntheses from Squalene-Like Precursors: Synthesis of ent-Abudinol B and Reassessment of the Structure of Muzitone","Journal of the American Chemical Society","2010","132","","5300","5308","10.1021/ja1006806","","","1.54178","CuKα","","0.2107","0.0905","","","0.1472","0.1804","","","","","","0.989","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102241","12.194","0.003","17.305","0.004","25.66","0.006","90","","90","","90","","5415","2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O4 -","- C30 H50 O4 -","- C240 H400 O32 -","8","2","","Matthew A. Boone; Rongbiao Tong; Frank E. McDonald; Sheri Lense; Rui Cao; Kenneth I. Hardcastle","Biomimetic Syntheses from Squalene-Like Precursors: Synthesis of ent-Abudinol B and Reassessment of the Structure of Muzitone","Journal of the American Chemical Society","2010","132","","5300","5308","10.1021/ja1006806","","","1.54178","CuKα","","0.2062","0.0803","","","0.0952","0.1295","","","","","","1.003","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102242","19.5887","0.0005","16.5221","0.0004","19.8902","0.0005","90","","90","","90","","6437.4","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Fe0.5 N3 O4 P2 -","- C36 H30 Fe0.5 N3 O4 P2 -","- C288 H240 Fe4 N24 O32 P16 -","8","1","","Fu-Te Tsai; Pei-Lin Chen; Wen-Feng Liaw","Roles of the Distinct Electronic Structures of the {Fe(NO)2}9 and {Fe(NO)2}10 Dinitrosyliron Complexes in Modulating Nitrite Binding Modes and Nitrite Activation Pathways","Journal of the American Chemical Society","2010","132","","5290","5299","10.1021/ja100849r","","","0.71073","MoKα","","0.0938","0.0823","","","0.2351","0.2455","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102243","19.6091","0.0016","16.4478","0.0014","19.8447","0.0016","90","","90","","90","","6400.4","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Fe0.5 N3.5 O4.5 P2 -","- C36 H30 Fe0.5 N3.5 O4.5 P2 -","- C288 H240 Fe4 N28 O36 P16 -","8","1","","Fu-Te Tsai; Pei-Lin Chen; Wen-Feng Liaw","Roles of the Distinct Electronic Structures of the {Fe(NO)2}9 and {Fe(NO)2}10 Dinitrosyliron Complexes in Modulating Nitrite Binding Modes and Nitrite Activation Pathways","Journal of the American Chemical Society","2010","132","","5290","5299","10.1021/ja100849r","","","0.71073","MoKα","","0.0998","0.0796","","","0.185","0.2003","","","","","","1.17","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102244","10.1353","0.0003","15.5214","0.0005","16.7544","0.0005","77.035","0.002","78.642","0.001","83.664","0.002","2512.16","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H49.5 Fe N5.5 O4 P3 -","- C57 H49.5 Fe N5.5 O4 P3 -","- C114 H99 Fe2 N11 O8 P6 -","2","1","","Fu-Te Tsai; Pei-Lin Chen; Wen-Feng Liaw","Roles of the Distinct Electronic Structures of the {Fe(NO)2}9 and {Fe(NO)2}10 Dinitrosyliron Complexes in Modulating Nitrite Binding Modes and Nitrite Activation Pathways","Journal of the American Chemical Society","2010","132","","5290","5299","10.1021/ja100849r","","","0.71073","MoKα","","0.0478","0.0408","","","0.1086","0.1163","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102245","13.3838","0.0004","16.0477","0.0005","17.3339","0.0006","90","","90","","90","","3723","0.2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H18 Fe0.5 N1.5 O3 P -","- C20 H18 Fe0.5 N1.5 O3 P -","- C160 H144 Fe4 N12 O24 P8 -","8","1","","Fu-Te Tsai; Pei-Lin Chen; Wen-Feng Liaw","Roles of the Distinct Electronic Structures of the {Fe(NO)2}9 and {Fe(NO)2}10 Dinitrosyliron Complexes in Modulating Nitrite Binding Modes and Nitrite Activation Pathways","Journal of the American Chemical Society","2010","132","","5290","5299","10.1021/ja100849r","","","0.71073","MoKα","","0.0655","0.0505","","","0.1363","0.1573","","","","","","1.195","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102246","17.5116","0.0011","8.6269","0.0005","21.0769","0.0014","90","","104.229","0.003","90","","3086.4","0.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Cl2 Cu N O4 -","- C31 H39 Cl2 Cu N O4 -","- C124 H156 Cl8 Cu4 N4 O16 -","4","1","","James D. Crowley; Kevin D. Hänni; David A. Leigh; Alexandra M. Z. Slawin","Diels-Alder Active-Template Synthesis of Rotaxanes and Metal-Ion-Switchable Molecular Shuttles","Journal of the American Chemical Society","2010","132","","5309","5314","10.1021/ja101029u","","","0.71073","MoKα","","0.049","0.047","","","0.1098","0.1108","","","","","","1.229","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102247","13.0715","0.0009","15.7296","0.001","15.78","0.0009","70.911","0.004","75.535","0.004","81.991","0.005","2963","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H39 Cl2 N O4 Zn -","- C31 H39 Cl2 N O4 Zn -","- C124 H156 Cl8 N4 O16 Zn4 -","4","2","","James D. Crowley; Kevin D. Hänni; David A. Leigh; Alexandra M. Z. Slawin","Diels-Alder Active-Template Synthesis of Rotaxanes and Metal-Ion-Switchable Molecular Shuttles","Journal of the American Chemical Society","2010","132","","5309","5314","10.1021/ja101029u","","","0.71073","MoKα","","0.0576","0.0439","","","0.0938","0.1025","","","","","","1.019","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102248","18.1258","0.0018","15.0266","0.0014","14.6076","0.0015","90","","105.704","0.006","90","","3830.1","0.7","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H46 Cl2 N2 O5 Zn -","- C37.5 H42 Cl2 N2 O5 Zn -","- C150 H168 Cl8 N8 O20 Zn4 -","4","1","","James D. Crowley; Kevin D. Hänni; David A. Leigh; Alexandra M. Z. Slawin","Diels-Alder Active-Template Synthesis of Rotaxanes and Metal-Ion-Switchable Molecular Shuttles","Journal of the American Chemical Society","2010","132","","5309","5314","10.1021/ja101029u","","","0.71073","MoKα","","0.0978","0.088","","","0.1971","0.2039","","","","","","1.167","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102249","26.267","0.009","9.004","0.003","26.253","0.009","90","","90","","90","","6209","4","93","2","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H39 Cl2 N O2 S2 Zn -","- C31 H39 Cl2 N O2 S2 Zn -","- C248 H312 Cl16 N8 O16 S16 Zn8 -","8","1","","James D. Crowley; Kevin D. Hänni; David A. Leigh; Alexandra M. Z. Slawin","Diels-Alder Active-Template Synthesis of Rotaxanes and Metal-Ion-Switchable Molecular Shuttles","Journal of the American Chemical Society","2010","132","","5309","5314","10.1021/ja101029u","","","0.71073","MoKα","","0.1616","0.1293","","","0.3075","0.3398","","","","","","1.107","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102250","29.6016","0.0019","11.7105","0.0007","27.6057","0.0018","90","","113.03","0.002","90","","8806.8","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Na[Co(CNArMes2)4]","","","- C108 H120 Co N4 Na O2 -","- C108 H120 Co N4 Na O2 -","- C432 H480 Co4 N16 Na4 O8 -","4","0.5","","Grant W. Margulieux; Nils Weidemann; David C. Lacy; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Isocyano Analogues of [Co(CO)4]n: A Tetraisocyanide of Cobalt Isolated in Three States of Charge","Journal of the American Chemical Society","2010","132","","5033","5035","10.1021/ja1012382","","","0.71073","MoKα","","0.0783","0.0559","","","0.1076","0.1162","","","","","","1.097","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102251","14.3428","0.0012","42.211","0.004","20.2968","0.0017","90","","92.558","0.001","90","","12275.9","1.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[PPN][Co(CNArMes2)4]","","","- C148 H160 Co N5 O3 P2 -","- C148 H160 Co N5 O3 P2 -","- C592 H640 Co4 N20 O12 P8 -","4","1","","Grant W. Margulieux; Nils Weidemann; David C. Lacy; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Isocyano Analogues of [Co(CO)4]n: A Tetraisocyanide of Cobalt Isolated in Three States of Charge","Journal of the American Chemical Society","2010","132","","5033","5035","10.1021/ja1012382","","","0.71073","MoKα","","0.112","0.079","","","0.1884","0.2083","","","","","","1.074","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102252","29.708","0.01","11.863","0.004","27.485","0.009","90","","112.141","0.005","90","","8972","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co(CNArMes2)4","","","- C108 H120 Co N4 O4 -","- C108 H120 Co N4 O4 -","- C432 H480 Co4 N16 O16 -","4","0.5","","Grant W. Margulieux; Nils Weidemann; David C. Lacy; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Isocyano Analogues of [Co(CO)4]n: A Tetraisocyanide of Cobalt Isolated in Three States of Charge","Journal of the American Chemical Society","2010","132","","5033","5035","10.1021/ja1012382","","","0.71073","MoKα","","0.1126","0.07","","","0.1245","0.141","","","","","","1.086","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102253","29.8149","0.0016","11.9653","0.0006","27.7566","0.0015","90","","111.712","0.004","90","","9199.5","0.9","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co(CNArMes2)4","","","- C108 H120 Co N4 O4 -","- C108 H120 Co N4 O4 -","- C432 H480 Co4 N16 O16 -","4","0.5","","Grant W. Margulieux; Nils Weidemann; David C. Lacy; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Isocyano Analogues of [Co(CO)4]n: A Tetraisocyanide of Cobalt Isolated in Three States of Charge","Journal of the American Chemical Society","2010","132","","5033","5035","10.1021/ja1012382","","","1.54178","CuKα","","0.0913","0.0551","","","0.1367","0.1553","","","","","","1.019","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102254","29.707","0.003","11.866","0.0012","27.577","0.003","90","","111.978","0.007","90","","9014.5","1.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co(CNArMes2)4","","","- C108 H120 Co N4 O4 -","- C108 H120 Co N4 O4 -","- C432 H480 Co4 N16 O16 -","4","0.5","","Grant W. Margulieux; Nils Weidemann; David C. Lacy; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Isocyano Analogues of [Co(CO)4]n: A Tetraisocyanide of Cobalt Isolated in Three States of Charge","Journal of the American Chemical Society","2010","132","","5033","5035","10.1021/ja1012382","","","1.54178","CuKα","","0.1088","0.0629","","","0.1441","0.1673","","","","","","1.02","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102255","26.924","0.017","15.161","0.009","31.86","0.02","90","","104.523","0.009","90","","12590","13","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Co(CNArMes2)4]BArF4","","","- C142 H136 B Co F24 N4 -","- C142 H136 B Co F24 N4 -","- C568 H544 B4 Co4 F96 N16 -","4","0.5","","Grant W. Margulieux; Nils Weidemann; David C. Lacy; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Isocyano Analogues of [Co(CO)4]n: A Tetraisocyanide of Cobalt Isolated in Three States of Charge","Journal of the American Chemical Society","2010","132","","5033","5035","10.1021/ja1012382","","","0.71073","MoKα","","0.1435","0.0776","","","0.1793","0.2168","","","","","","1.02","","","","has coordinates,has disorder","178768","2020-10-21","18:00:00",""
"4102256","14.959","0.004","20.543","0.005","31.517","0.008","90","","103.099","0.004","90","","9433","4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(THF)Co(CNArMes2)4]OTf","","","- C109 H118 Co F3 N4 O5 S -","- C109 H118 Co F3 N4 O5 S -","- C436 H472 Co4 F12 N16 O20 S4 -","4","1","","Grant W. Margulieux; Nils Weidemann; David C. Lacy; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Isocyano Analogues of [Co(CO)4]n: A Tetraisocyanide of Cobalt Isolated in Three States of Charge","Journal of the American Chemical Society","2010","132","","5033","5035","10.1021/ja1012382","","","0.71073","MoKα","","0.1878","0.08","","","0.148","0.1898","","","","","","1.019","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102257","13.024","0.003","13.024","0.003","16.759","0.004","90","","90","","90","","2842.7","1.1","100","2","100","2","","","","","","","","6","P 43","P 4cw","78","","","","- C30 H36 Cl2 N2 O2 S2 -","- C30 H36 Cl2 N2 O2 S2 -","- C120 H144 Cl8 N8 O8 S8 -","4","1","","Robert R. Knowles; Song Lin; Eric N. Jacobsen","Enantioselective Thiourea-Catalyzed Cationic Polycyclizations","Journal of the American Chemical Society","2010","132","","5030","5032","10.1021/ja101256v","","","0.71073","MoKα","","0.0417","0.0343","","","0.0771","0.0809","","","","","","1.036","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102258","6.953","0.003","10.796","0.005","13.61","0.006","90.786","0.008","104.123","0.007","98.754","0.007","977.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C36 H46 N2 O4 -","2","1","","Robert R. Knowles; Song Lin; Eric N. Jacobsen","Enantioselective Thiourea-Catalyzed Cationic Polycyclizations","Journal of the American Chemical Society","2010","132","","5030","5032","10.1021/ja101256v","","","0.71073","MoKα","","0.0863","0.0623","","","0.1582","0.1675","","","","","","1.042","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102259","6.9387","0.0014","14.503","0.003","15.6","0.003","90","","90","","90","","1569.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Robert R. Knowles; Song Lin; Eric N. Jacobsen","Enantioselective Thiourea-Catalyzed Cationic Polycyclizations","Journal of the American Chemical Society","2010","132","","5030","5032","10.1021/ja101256v","","","0.71073","MoKα","","0.0652","0.042","","","0.0822","0.0909","","","","","","1.019","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102260","17.071","0.006","9.127","0.003","22.864","0.008","90","","111.787","0.0011","90","","3308","2","150","","150","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H50 Si6 -","- C28 H50 Si6 -","- C112 H200 Si24 -","4","1","","Takashi Abe; Takeaki Iwamoto; Mitsuo Kira","A Stable 1,2-Disilacyclohexene and Its 14-Electron Palladium(0) Complex","Journal of the American Chemical Society","2010","132","","5008","5009","10.1021/ja101654b","","","0.7107","MoKα","","0.0563","0.0534","","","0.1129","0.1144","","","","","","1.227","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102261","11.231","0.002","20.76","0.004","22.617","0.005","90","","99.409","0.002","90","","5202.3","1.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H83 P Pd Si6 -","- C46 H83 P Pd Si6 -","- C184 H332 P4 Pd4 Si24 -","4","1","","Takashi Abe; Takeaki Iwamoto; Mitsuo Kira","A Stable 1,2-Disilacyclohexene and Its 14-Electron Palladium(0) Complex","Journal of the American Chemical Society","2010","132","","5008","5009","10.1021/ja101654b","","","0.71073","MoKα","","0.0345","0.0258","","","0.0635","0.0701","","","","","","1.058","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102262","6.0138","0.0001","23.3983","0.0004","17.9273","0.0003","90","","93.199","0.001","90","","2518.67","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C120 H120 O24 -","6","3","","Sha Lou; Gregory C. Fu","Enantioselective Alkenylation via Nickel-Catalyzed Cross-Coupling with Organozirconium Reagents","Journal of the American Chemical Society","2010","132","","5010","5011","10.1021/ja1017046","","","1.54178","CuKα","","0.035","0.032","","","0.0804","0.0827","","","","","","1.029","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102263","10.3237","0.0016","10.8233","0.0016","11.7218","0.0018","95.244","0.004","113.624","0.004","113.405","0.004","1051.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","JMH1X207","mayer22","","- C18 H21 F3 N4 O4 Pt S -","- C18 H21 F3 N4 O4 Pt S -","- C36 H42 F6 N8 O8 Pt2 S2 -","2","1","","Jessica M. Hoover; Antonio DiPasquale; James M. Mayer; Forrest E. Michael","Platinum-Catalyzed Intramolecular Hydrohydrazination: Evidence for Alkene Insertion into a Pt-N Bond","Journal of the American Chemical Society","2010","132","","5043","5053","10.1021/ja906563z","","","1.54178","CuKα","","0.0277","0.027","","","0.0663","0.0693","","","","","","1.061","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102264","7.1149","0.0001","8.7177","0.0002","9.2105","0.0002","90.52","0.001","109.281","0.001","91.873","0.001","538.836","0.019","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 Cl2 N4 O2 Sn -","- C18 H26 Cl2 N4 O2 Sn -","- C18 H26 Cl2 N4 O2 Sn -","1","0.5","","Gang Wu; Jianfeng Zhu; Xin Mo; Ruiyao Wang; Victor Terskikh","Solid-State 17O NMR and Computational Studies of C-Nitrosoarene Compounds","Journal of the American Chemical Society","2010","132","","5143","5155","10.1021/ja909656w","","","0.71073","MoKα","","0.0153","0.0151","","","0.0374","0.0375","","","","","","1.066","","","","has coordinates,has disorder","178768","2020-10-21","18:00:00",""
"4102265","8.4338","0.0002","22.7228","0.0006","10.7268","0.0003","90","","97.729","0.002","90","","2037","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cl4 N O5 -","- C18 H21 Cl4 N O5 -","- C72 H84 Cl16 N4 O20 -","4","1","","Carles Giró Mañas; Victoria L. Paddock; Christian G. Bochet; Alan C. Spivey; Andrew J. P. White; Inderjit Mann; Wolfgang Oppolzer","Total Synthesis of the Lycorenine-Type Amaryllidaceae Alkaloid (\±)-Clivonine via a Biomimetic Ring-Switch from a Lycorine-Type Progenitor","Journal of the American Chemical Society","2010","132","","5176","5178","10.1021/ja910184j","","","0.71073","MoKα","","0.0781","0.0467","","","0.1111","0.1206","","","","","","1.008","","","","has coordinates,has disorder","178768","2020-10-21","18:00:00",""
"4102266","37.859","0.004","9.7245","0.001","23.612","0.002","90","","111.508","0.005","90","","8087.7","1.4","190","2","190","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 B Cl3 Co N6 S3 -","- C34 H42 B Cl3 Co N6 S3 -","- C272 H336 B8 Cl24 Co8 N48 S24 -","8","1","","J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser","Cobalt(II) ""Scorpionate"" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2010","132","","5241","5253","10.1021/ja910766w","","","0.71069","MoKα","","0.0963","0.0585","","","0.1449","0.1622","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102267","9.8456","0.001","27.114","0.003","14.127","0.0014","90","","92.325","0.005","90","","3768.1","0.7","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 B Co N7 S4 -","- C34 H40 B Co N7 S4 -","- C136 H160 B4 Co4 N28 S16 -","4","1","","J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser","Cobalt(II) ""Scorpionate"" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2010","132","","5241","5253","10.1021/ja910766w","","","0.71069","MoKα","","0.0687","0.0387","","","0.0841","0.0934","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102268","10.0557","0.001","16.0979","0.0016","15.8729","0.0016","90","","91.405","0.005","90","","2568.7","0.4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 B Co N7 O -","- C22 H34 B Co N7 O -","- C88 H136 B4 Co4 N28 O4 -","4","1","","J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser","Cobalt(II) ""Scorpionate"" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2010","132","","5241","5253","10.1021/ja910766w","","","0.71073","MoKα","","0.1036","0.0478","","","0.0852","0.0993","","","","","","1.014","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102269","10.1577","0.0011","15.8814","0.0017","15.8027","0.0017","90","","91.186","0.005","90","","2548.7","0.5","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 B Co N9 -","- C21 H34 B Co N9 -","- C84 H136 B4 Co4 N36 -","4","1","","J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser","Cobalt(II) ""Scorpionate"" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2010","132","","5241","5253","10.1021/ja910766w","","","0.71069","MoKα","","0.0497","0.0365","","","0.0903","0.0957","","","","","","1.114","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102270","15.9843","0.0017","15.9843","0.0017","9.4269","0.001","90","","90","","120","","2085.9","0.4","190","2","190","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C24 H40 B Cl Co N6 -","- C24 H40 B Cl Co N6 -","- C72 H120 B3 Cl3 Co3 N18 -","3","0.166667","","J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser","Cobalt(II) ""Scorpionate"" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2010","132","","5241","5253","10.1021/ja910766w","","","0.71073","MoKα","","0.0246","0.0231","","","0.0552","0.056","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102271","9.6545","0.0011","17.4408","0.0018","17.9183","0.0018","90","","98.059","0.005","90","","2987.3","0.5","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H40 B Co N7 S -","- C25 H40 B Co N7 S -","- C100 H160 B4 Co4 N28 S4 -","4","1","","J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser","Cobalt(II) ""Scorpionate"" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2010","132","","5241","5253","10.1021/ja910766w","","","0.71073","MoKα","","0.0918","0.0434","","","0.0857","0.1011","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102272","10.4823","0.0011","17.0139","0.0018","16.0436","0.0017","90","","91.101","0.005","90","","2860.8","0.5","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H40 B Co N7 O -","- C25 H40 B Co N7 O -","- C100 H160 B4 Co4 N28 O4 -","4","1","","J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser","Cobalt(II) ""Scorpionate"" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2010","132","","5241","5253","10.1021/ja910766w","","","0.71073","MoKα","","0.0778","0.0436","","","0.0969","0.1106","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102273","10.5385","0.0012","19.126","0.002","15.7062","0.0017","90","","90.437","0.005","90","","3165.6","0.6","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H44 B Co N9 -","- C27.5 H44 B Co N9 -","- C110 H176 B4 Co4 N36 -","4","1","","J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser","Cobalt(II) ""Scorpionate"" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2010","132","","5241","5253","10.1021/ja910766w","","","0.71073","MoKα","","0.0701","0.0457","","","0.105","0.1168","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102274","9.686","0.0012","11.3379","0.0015","24.442","0.003","87.917","0.003","82.601","0.003","89.81","0.004","2660.1","0.6","93.1","","93.1","","","","","","","","","7","P 1","P 1","1","","","","- C109 H106.7 Cu2 F12 N10 O16.35 S4 -","- C109 H98 Cu2 F12 N10 O16.35 S4 -","- C109 H98 Cu2 F12 N10 O16.35 S4 -","1","1","","Takayoshi Arai; Asami Mishiro; Naota Yokoyama; Kuniko Suzuki; Hiroyasu Sato","Chiral Bis(imidazolidine)pyridine-Cu(OTf)2: Catalytic Asymmetric Endo-Selective [3 + 2] Cycloaddition of Imino Esters with Nitroalkenes","Journal of the American Chemical Society","2010","132","","5338","5339","10.1021/ja100265j","","","0.71075","MoKα","","","0.0558","","","","0.1581","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102275","3.5979","0.0019","9.064","0.005","14.452","0.008","75.267","0.013","83.602","0.009","87.354","0.009","452.9","0.4","","","298","3","","","","","","","","4","P 1","P 1","1","","","","- P Rb S6 Zr -","- P Rb S6 Zr -","- P2 Rb2 S12 Zr2 -","2","2","","Santanu Banerjee; Jodi M. Szarko; Benjamin D. Yuhas; Christos D. Malliakas; Lin X. Chen; Mercouri G. Kanatzidis","Room Temperature Light Emission from the Low-Dimensional Semiconductors AZrPS6 (A = K, Rb, Cs)","Journal of the American Chemical Society","2010","132","","5348","5350","10.1021/ja1004653","","","0.4428","synchrotron","","0.0949","0.0835","","","0.1786","0.1871","","","","1.71","1.71","1.62","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102276","11.851","0.003","11.134","0.003","18.831","0.004","90","","99.882","0.004","90","","2447.9","1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Br3 In O3 P -","- C21 H21 Br3 In O3 P -","- C84 H84 Br12 In4 O12 P4 -","4","1","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0789","0.0573","","","0.1484","0.1637","","","","","","1.034","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102277","12.8528","0.0014","12.8528","0.0014","8.5383","0.0018","90","","90","","120","","1221.5","0.3","193","2","193","2","","","","","","","","6","P -3","-P 3","147","","","","- C21 H21 Br3 In O3 P -","- C21 H21 Br3 In O3 P -","- C42 H42 Br6 In2 O6 P2 -","2","0.333333","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0279","0.0238","","","0.0592","0.0613","","","","","","1.06","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102278","11.831","0.0007","18.4922","0.0011","19.0997","0.0012","110.516","0.0008","105.019","0.0009","104.38","0.0009","3504.2","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Br3 In P2 -","- C36 H30 Br3 In P2 -","- C144 H120 Br12 In4 P8 -","4","2","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0566","0.0332","","","0.0636","0.0701","","","","","","0.994","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102279","10.7486","0.0006","12.3701","0.0007","13.4953","0.0008","104.477","0.0008","104.014","0.0007","101.582","0.0008","1619.14","0.16","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Br3 In O9 P -","- C27 H33 Br3 In O9 P -","- C54 H66 Br6 In2 O18 P2 -","2","1","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0308","0.0267","","","0.0678","0.0694","","","","","","1.052","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102280","9.0867","0.0008","18.0965","0.0015","13.9402","0.0012","90","","91.719","0.001","90","","2291.3","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Cl3 In O3 P -","- C21 H21 Cl3 In O3 P -","- C84 H84 Cl12 In4 O12 P4 -","4","1","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0223","0.0206","","","0.0566","0.0578","","","","","","1.121","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102281","25.1006","0.0017","15.0311","0.001","22.0125","0.0015","90","","92.449","0.001","90","","8297.5","1","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Cl3 In O6 P2 -","- C42 H42 Cl3 In O6 P2 -","- C336 H336 Cl24 In8 O48 P16 -","8","1","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0647","0.0411","","","0.0941","0.1045","","","","","","0.998","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102282","17.9666","0.001","17.1784","0.001","22.5151","0.0013","90","","90","","90","","6949","0.7","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Cl3 In P2 -","- C36 H30 Cl3 In P2 -","- C288 H240 Cl24 In8 P16 -","8","1","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0358","0.0289","","","0.0703","0.0755","","","","","","1.068","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102283","14.5207","0.0008","14.5207","0.0008","20.52","0.002","90","","90","","90","","4326.7","0.5","193","2","193","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C42.5 H43 Cl4 In O6 P2 -","- C42.5 H43 Cl4 In O6 P2 -","- C170 H172 Cl16 In4 O24 P8 -","4","0.5","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0818","0.0645","","","0.1536","0.1627","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102284","13.6759","0.0017","23.23","0.003","8.6375","0.0011","90","","101.575","0.0016","90","","2688.3","0.6","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H21 I3 In O3 P -","- C21 H21 I3 In O3 P -","- C84 H84 I12 In4 O12 P4 -","4","1","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0485","0.0425","","","0.1037","0.1072","","","","","","1.071","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102285","22.9187","0.0005","22.9187","0.0005","61.6463","0.0012","90","","90","","120","","28042.6","1","296.1","","296.1","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C68 H72 Cl2 Cu2 P4 -","- C68 H72 Cl2 Cu2 P4 -","- C1224 H1296 Cl36 Cu36 P72 -","18","1.5","","Ryo Yazaki; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Addition of Allyl Cyanide to Ketones via Soft Lewis Acid/Hard Brønsted Base/Hard Lewis Base Catalysis","Journal of the American Chemical Society","2010","132","","5522","5531","10.1021/ja101687p","","","1.54187","CuKα","","","0.1176","","","","0.342","","","","","","1.629","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102286","24.069","0.003","5.1082","0.0006","17.486","0.002","90","0.002","108.292","0.002","90","0.002","2041.3","0.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 O2 Se -","- C26 H20 N2 O2 Se -","- C104 H80 N8 O8 Se4 -","4","0.5","","Bani Kanta Sarma; Debasish Manna; Mao Minoura; Govindasamy Mugesh","Synthesis, Structure, Spirocyclization Mechanism, and Glutathione Peroxidase-like Antioxidant Activity of Stable Spirodiazaselenurane and Spirodiazatellurane","Journal of the American Chemical Society","2010","132","","5364","5374","10.1021/ja908080u","","","0.71073","MoKα","","0.0467","0.0365","","","0.0877","0.0926","","","","","","1.095","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102287","9.982","0.003","22.965","0.007","11.053","0.004","90","","105.729","0.005","90","","2438.9","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cl2 N2 O2 Se -","- C27 H20 Cl2 N2 O2 Se -","- C108 H80 Cl8 N8 O8 Se4 -","4","1","","Bani Kanta Sarma; Debasish Manna; Mao Minoura; Govindasamy Mugesh","Synthesis, Structure, Spirocyclization Mechanism, and Glutathione Peroxidase-like Antioxidant Activity of Stable Spirodiazaselenurane and Spirodiazatellurane","Journal of the American Chemical Society","2010","132","","5364","5374","10.1021/ja908080u","","","0.71073","MoKα","","0.0651","0.038","","","0.0776","0.0896","","","","","","1.021","","","","has coordinates,has disorder","178768","2020-10-21","18:00:00",""
"4102288","9.9216","0.001","10.6161","0.001","19.8643","0.0019","90","","90","","90","","2092.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 N2 O2 Te -","- C26 H18 N2 O2 Te -","- C104 H72 N8 O8 Te4 -","4","1","","Bani Kanta Sarma; Debasish Manna; Mao Minoura; Govindasamy Mugesh","Synthesis, Structure, Spirocyclization Mechanism, and Glutathione Peroxidase-like Antioxidant Activity of Stable Spirodiazaselenurane and Spirodiazatellurane","Journal of the American Chemical Society","2010","132","","5364","5374","10.1021/ja908080u","","","0.71073","MoKα","","0.0647","0.0427","","","0.0644","0.0716","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102289","10.879","0.003","11.265","0.003","11.488","0.003","106.488","0.004","114.488","0.005","94.871","0.005","1195","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N2 O2.5 Te -","- C28 H18 N2 O2.5 Te -","- C56 H36 N4 O5 Te2 -","2","1","","Bani Kanta Sarma; Debasish Manna; Mao Minoura; Govindasamy Mugesh","Synthesis, Structure, Spirocyclization Mechanism, and Glutathione Peroxidase-like Antioxidant Activity of Stable Spirodiazaselenurane and Spirodiazatellurane","Journal of the American Chemical Society","2010","132","","5364","5374","10.1021/ja908080u","","","0.71073","MoKα","","0.06","0.0464","","","0.1104","0.1175","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102290","9.9319","0.0006","10.6098","0.0006","19.8677","0.0012","90","","90","","90","","2093.6","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 N2 O2 Te -","- C26 H18 N2 O2 Te -","- C104 H72 N8 O8 Te4 -","4","1","","Bani Kanta Sarma; Debasish Manna; Mao Minoura; Govindasamy Mugesh","Synthesis, Structure, Spirocyclization Mechanism, and Glutathione Peroxidase-like Antioxidant Activity of Stable Spirodiazaselenurane and Spirodiazatellurane","Journal of the American Chemical Society","2010","132","","5364","5374","10.1021/ja908080u","","","0.71073","MoKα","","0.0931","0.058","","","0.0884","0.0993","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102291","5.8894","0.0001","8.3683","0.0001","34.8423","0.0004","90","","90","","90","","1717.18","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Br -","- C23 H19 Br -","- C92 H76 Br4 -","4","1","","Benoit Cardinal-David; Dustin E. A. Raup; Karl A. Scheidt","Cooperative N-Heterocyclic Carbene/Lewis Acid Catalysis for Highly Stereoselective Annulation Reactions with Homoenolates","Journal of the American Chemical Society","2010","132","","5345","5347","10.1021/ja910666n","","","0.71073","MoKα","","0.0349","0.0307","","","0.0818","0.0887","","","","","","1.122","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102292","4.986","0.0002","14.6944","0.0007","16.868","0.0008","90","","96.905","0.001","90","","1226.89","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N4 O6 -","- C28 H24 N4 O6 -","- C56 H48 N8 O12 -","2","0.5","","Yuewen Xu; Mark D. Smith; Michael F. Geer; Perry J. Pellechia; Julius C. Brown; Arief C. Wibowo; Linda S. Shimizu","Thermal Reaction of a Columnar Assembled Diacetylene Macrocycle","Journal of the American Chemical Society","2010","132","","5334","5335","10.1021/ja9107066","","","0.71073","MoKα","","0.0488","0.0418","","","0.1047","0.1102","","","","","","1.035","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102293","5.1523","0.0014","8.571","0.003","26.799","0.007","90","","90","","90","","1183.5","0.6","125.1","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Te2 -","- C12 H10 Te2 -","- C48 H40 Te8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.7107","MoKα","","","0.0253","","","","0.0603","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102294","5.5401","0.0011","8.0864","0.0018","23.478","0.005","90","","90","","90","","1051.8","0.4","125.1","","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 S2 -","- C12 H10 S2 -","- C48 H40 S8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.71075","MoKα","","","0.0723","","","","0.172","","","","","","1.108","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102295","5.5363","0.0007","8.0793","0.0011","23.483","0.003","90","","90","","90","","1050.4","0.2","125.1","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 S2 -","- C12 H10 S2 -","- C48 H40 S8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.71075","MoKα","","","0.0293","","","","0.0646","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102296","5.5699","0.0019","8.238","0.003","23.826","0.007","90","","90","","90","","1093.3","0.6","125.1","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Se2 -","- C12 H10 Se2 -","- C48 H40 Se8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.7107","MoKα","","","0.0334","","","","0.1014","","","","","","1.224","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102297","5.5878","0.0011","8.2521","0.0017","23.907","0.005","90","","90","","90","","1102.4","0.4","125.1","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Se2 -","- C12 H10 Se2 -","- C48 H40 Se8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.71075","MoKα","","","0.0408","","","","0.0806","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102298","5.1563","0.0008","8.5809","0.0013","26.784","0.004","90","","90","","90","","1185.1","0.3","125.1","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Te2 -","- C12 H10 Te2 -","- C48 H40 Te8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.7107","MoKα","","","0.031","","","","0.1032","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102299","7.7646","0.0002","7.7646","0.0002","7.7646","0.0002","90","","90","","90","","468.12","0.02","273","2","273","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au19.4 Bi0.6 Ca4 -","- Au19.4 Bi0.6 Ca4 -","- Au19.4 Bi0.6 Ca4 -","1","0.0104167","","Qisheng Lin; John D. Corbett","Multiple Nonstoichiometric Phases with Discrete Composition Ranges in the CaAu5-CaAu4Bi-BiAu2 System. A Case Study of the Chemistry of Spinodal Decomposition","Journal of the American Chemical Society","2010","132","","5662","5671","10.1021/ja100250d","","","0.71073","MoKα","","0.02","0.02","","","0.0414","0.0414","","","","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102300","7.8246","0.0002","7.8246","0.0002","7.8246","0.0002","90","","90","","90","","479.06","0.02","273","2","273","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au9.34 Bi0.66 Ca2 -","- Au9.34 Bi0.66 Ca2 -","- Au18.68 Bi1.32 Ca4 -","2","0.0208333","","Qisheng Lin; John D. Corbett","Multiple Nonstoichiometric Phases with Discrete Composition Ranges in the CaAu5-CaAu4Bi-BiAu2 System. A Case Study of the Chemistry of Spinodal Decomposition","Journal of the American Chemical Society","2010","132","","5662","5671","10.1021/ja100250d","","","0.71073","MoKα","","0.0174","0.0174","","","0.0348","0.0348","","","","","","1.112","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102301","7.9199","0.0002","7.9199","0.0002","7.9199","0.0002","90","","90","","90","","496.77","0.02","273","2","273","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au8.18 Bi1.82 Ca2 -","- Au8.18 Bi1.82 Ca2 -","- Au16.36 Bi3.64 Ca4 -","2","0.0208333","","Qisheng Lin; John D. Corbett","Multiple Nonstoichiometric Phases with Discrete Composition Ranges in the CaAu5-CaAu4Bi-BiAu2 System. A Case Study of the Chemistry of Spinodal Decomposition","Journal of the American Chemical Society","2010","132","","5662","5671","10.1021/ja100250d","","","0.71073","MoKα","","0.0136","0.0136","","","0.0332","0.0332","","","","","","1.127","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102302","7.9046","0.0002","7.9046","0.0002","7.9046","0.0002","90","","90","","90","","493.9","0.02","273","2","273","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au16 Bi4.78 Ca3.22 -","- Au16 Bi4.784 Ca3.216 -","- Au16 Bi4.784 Ca3.216 -","1","0.0104167","","Qisheng Lin; John D. Corbett","Multiple Nonstoichiometric Phases with Discrete Composition Ranges in the CaAu5-CaAu4Bi-BiAu2 System. A Case Study of the Chemistry of Spinodal Decomposition","Journal of the American Chemical Society","2010","132","","5662","5671","10.1021/ja100250d","","","0.71073","MoKα","","0.0169","0.0169","","","0.0383","0.0383","","","","","","1.153","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102303","7.9505","0.0002","7.9505","0.0002","7.9505","0.0002","90","","90","","90","","502.55","0.02","273","2","273","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au8 Bi2.64 Ca1.36 -","- Au8 Bi2.644 Ca1.356 -","- Au16 Bi5.288 Ca2.712 -","2","0.0208333","","Qisheng Lin; John D. Corbett","Multiple Nonstoichiometric Phases with Discrete Composition Ranges in the CaAu5-CaAu4Bi-BiAu2 System. A Case Study of the Chemistry of Spinodal Decomposition","Journal of the American Chemical Society","2010","132","","5662","5671","10.1021/ja100250d","","","0.71073","MoKα","","0.0238","0.0234","","","0.0457","0.0461","","","","","","1.163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102304","9.6816","0.0006","11.846","0.0007","14.882","0.0009","84.421","0.001","75.462","0.001","68.009","0.001","1531.93","0.16","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C64 H96 O16 -","4","2","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.069","0.0552","","","0.1398","0.1486","","","","","","1.031","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102305","6.9923","0.0004","28.3844","0.0018","8.1995","0.0005","90","","91.323","0.002","90","","1626.94","0.17","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O7 -","- C17 H16 N2 O7 -","- C68 H64 N8 O28 -","4","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.062","0.0491","","","0.1314","0.1391","","","","","","1.065","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102306","11.1282","0.0004","25.3958","0.001","12.4272","0.0005","90","","93.902","0.001","90","","3503.9","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O8 -","- C18 H18 N2 O8 -","- C144 H144 N16 O64 -","8","2","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.0548","0.0457","","","0.1235","0.1303","","","","","","1.05","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102307","8.6807","0.0005","12.2715","0.0008","12.4359","0.0008","80.749","0.002","73.924","0.002","81.848","0.002","1249.75","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N2 O8 -","- C25 H32 N2 O8 -","- C50 H64 N4 O16 -","2","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.0654","0.0535","","","0.1438","0.1525","","","","","","1.047","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102308","7.4447","0.0004","11.7593","0.0007","12.3555","0.0007","108.336","0.001","104.011","0.001","100.246","0.001","957.54","0.09","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O9 -","- C19 H20 N2 O9 -","- C38 H40 N4 O18 -","2","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.0557","0.0497","","","0.1288","0.1334","","","","","","1.045","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102309","7.039","0.0006","24.783","0.002","13.5449","0.0012","90","","100.26","0.002","90","","2325.1","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N3 O9 -","- C25 H23 N3 O9 -","- C100 H92 N12 O36 -","4","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.0671","0.0493","","","0.1259","0.1355","","","","","","1.062","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102310","7.8202","0.0004","11.1046","0.0005","15.2948","0.0007","102.786","0.001","93.96","0.001","103.068","0.001","1251.77","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O11 -","- C27 H27 N3 O11 -","- C54 H54 N6 O22 -","2","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.0469","0.0429","","","0.1146","0.1176","","","","","","1.038","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102311","7.6819","0.0006","12.8663","0.0009","15.3441","0.0011","70.197","0.001","84.768","0.002","76.122","0.002","1385.15","0.18","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N3 O12 -","- C28 H29 N3 O12 -","- C56 H58 N6 O24 -","2","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.0765","0.0559","","","0.1378","0.1497","","","","","","1.017","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102312","6.8316","0.0008","15.8889","0.0018","16.43","0.0018","83.062","0.002","78.939","0.003","87.588","0.002","1737.1","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H43 N3 O12 -","- C35 H43 N3 O12 -","- C70 H86 N6 O24 -","2","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.084","0.0643","","","0.1517","0.1628","","","","","","1.121","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102313","8.0316","0.001","13.8306","0.0017","15.0009","0.0018","109.279","0.002","93.852","0.002","106.744","0.002","1481.7","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N4 O11 -","- C33 H30 N4 O11 -","- C66 H60 N8 O22 -","2","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.103","0.0616","","","0.1287","0.1457","","","","","","1.002","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102314","12.1198","0.0006","13.1343","0.0006","13.7022","0.0006","107.878","0.001","108.158","0.001","95.126","0.001","1930.76","0.16","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H37 N5 O13 -","- C41 H37 N5 O13 -","- C82 H74 N10 O26 -","2","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.0915","0.0603","","","0.1375","0.1523","","","","","","1.047","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102315","11.276","0.002","12.301","0.003","16.564","0.003","90.388","0.006","94.562","0.005","105.3","0.005","2208.2","0.8","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H44 N6 O15 -","- C49 H44 N6 O15 -","- C98 H88 N12 O30 -","2","1","","Yan Yan; Bo Qin; Changliang Ren; Xiuying Chen; Yeow Kwan Yip; Ruijuan Ye; Dawei Zhang; Haibin Su; Huaqiang Zeng","Synthesis, Structural Investigations, Hydrogen-Deuterium Exchange Studies, and Molecular Modeling of Conformationally Stablilized Aromatic Oligoamides","Journal of the American Chemical Society","2010","132","","5869","5879","10.1021/ja100579z","","","0.71073","MoKα","","0.1337","0.0868","","","0.1907","0.2159","","","","","","1.057","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102316","5.6763","0.0008","17.997","0.003","22.844","0.003","90","","90","","90","","2333.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br O2 P -","- C27 H22 Br O2 P -","- C108 H88 Br4 O8 P4 -","4","1","","Jian-Jun Feng; Xue-Feng Chen; Min Shi; Wei-Liang Duan","Palladium-Catalyzed Asymmetric Addition of Diarylphosphines to Enones toward the Synthesis of Chiral Phosphines","Journal of the American Chemical Society","2010","132","","5562","5563","10.1021/ja100606v","","","0.71073","MoKα","","0.071","0.0444","","","0.0853","0.0906","","","","","","0.892","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102317","11.309","0.002","24.952","0.005","21.872","0.004","90","","99.339","0.003","90","","6090","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H78 O4 Zr -","- C76 H78 O4 Zr -","- C304 H312 O16 Zr4 -","4","1","","Elizabeth T. Kiesewetter; Sören Randoll; Madalyn Radlauer; Robert M. Waymouth","Stereospecific Octahedral Group 4 Bis(phenolate) Ether Complexes for Olefin Polymerization","Journal of the American Chemical Society","2010","132","","5566","5567","10.1021/ja100627x","","","0.71073","MoKα","","0.0651","0.0483","","","0.1141","0.1233","","","","","","1.031","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102318","11.2966","0.0015","24.95","0.003","22.016","0.003","90","","99.698","0.002","90","","6116.5","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H78 Hf O4 -","- C76 H78 Hf O4 -","- C304 H312 Hf4 O16 -","4","1","","Elizabeth T. Kiesewetter; Sören Randoll; Madalyn Radlauer; Robert M. Waymouth","Stereospecific Octahedral Group 4 Bis(phenolate) Ether Complexes for Olefin Polymerization","Journal of the American Chemical Society","2010","132","","5566","5567","10.1021/ja100627x","","","0.71073","MoKα","","0.0448","0.0329","","","0.078","0.0837","","","","","","1.024","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4102319","35.413","0.003","22.233","0.003","19.854","0.005","90","","90","","90","","15632","5","233","2","233","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C79 H89 Cs N5 O12 -","- C76 H80 Cs N5 O9 -","- C608 H640 Cs8 N40 O72 -","8","1","","Sung Kuk Kim; Jonathan L. Sessler; Dustin E. Gross; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Laetitia H. Delmau; Benjamin P. Hay","A Calix[4]arene Strapped Calix[4]pyrrole: An Ion-Pair Receptor Displaying Three Different Cesium Cation Recognition Modes","Journal of the American Chemical Society","2010","132","","5827","5836","10.1021/ja100715e","","","0.71069","MoKα","","0.3155","0.103","","","0.1654","0.1939","","","","","","1.129","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102320","13.4993","0.0002","26.0185","0.0007","19.6409","0.0005","90","0.005","100.663","0.002","90","0.005","6779.4","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H86 Cs F N4 O8 -","- C77 H86 Cs F N4 O8 -","- C308 H344 Cs4 F4 N16 O32 -","4","1","","Sung Kuk Kim; Jonathan L. Sessler; Dustin E. Gross; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Laetitia H. Delmau; Benjamin P. Hay","A Calix[4]arene Strapped Calix[4]pyrrole: An Ion-Pair Receptor Displaying Three Different Cesium Cation Recognition Modes","Journal of the American Chemical Society","2010","132","","5827","5836","10.1021/ja100715e","","","0.71073","MoKα","","0.0803","0.0418","","","0.0839","0.0973","","","","","","1.019","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102321","18.449","0.002","21.316","0.003","22.059","0.003","61.593","0.002","78.297","0.003","74.265","0.003","7316.4","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C154 H175.5 Cl2 Cs2 N8.5 O18 -","- C154 H165.5 Cl2 Cs2 N8.5 O15 -","- C308 H331 Cl4 Cs4 N17 O30 -","2","1","","Sung Kuk Kim; Jonathan L. Sessler; Dustin E. Gross; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Laetitia H. Delmau; Benjamin P. Hay","A Calix[4]arene Strapped Calix[4]pyrrole: An Ion-Pair Receptor Displaying Three Different Cesium Cation Recognition Modes","Journal of the American Chemical Society","2010","132","","5827","5836","10.1021/ja100715e","","","0.71069","MoKα","","0.1865","0.105","","","0.1873","0.2058","","","","","","1.363","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102322","10.5877","0.0005","17.6496","0.0008","35.4397","0.0013","90","","95.51","0.002","90","","6592","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H88 N4 O8 -","- C78 H88 N4 O8 -","- C312 H352 N16 O32 -","4","1","","Sung Kuk Kim; Jonathan L. Sessler; Dustin E. Gross; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Laetitia H. Delmau; Benjamin P. Hay","A Calix[4]arene Strapped Calix[4]pyrrole: An Ion-Pair Receptor Displaying Three Different Cesium Cation Recognition Modes","Journal of the American Chemical Society","2010","132","","5827","5836","10.1021/ja100715e","","","0.7107","MoKα","","0.2145","0.0696","","","0.1359","0.1782","","","","","","1","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102323","20.2603","0.0008","25.3053","0.0011","25.6274","0.001","90","","90","","90","","13139","0.9","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C152 H130 Cl8 N4 Nb2 O8 -","- C152 H130 Cl8 N4 Nb2 O8 -","- C608 H520 Cl32 N16 Nb8 O32 -","4","1","","Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","Oxidation Catalysis of Nb(salan) Complexes: Asymmetric Epoxidation of Allylic Alcohols Using Aqueous Hydrogen Peroxide as an Oxidant","Journal of the American Chemical Society","2010","132","","5886","5895","10.1021/ja100795k","","","0.71073","MoKα","","0.109","0.088","","","0.2384","0.2564","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102324","6.8305","0.0013","6.8305","0.0013","13.962","0.003","90","","90","","120","","564.14","0.19","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl2 Cu3.35 H6 Mg0.65 O6 -","- Cl2 Cu3.344 H6 Mg0.656 O6 -","- Cl6 Cu10.032 H18 Mg1.968 O18 -","3","0.0833333","","Shaoyan Chu; Tyrel M. McQueen; Robin Chisnell; Danna E. Freedman; Peter Müller; Young S. Lee; Daniel G. Nocera","A Cu2+ (S = 1/2) Kagomé Antiferromagnet: MgxCu4-x(OH)6Cl2","Journal of the American Chemical Society","2010","132","","5570","5571","10.1021/ja1008322","","","0.71073","MoKα","","0.0175","0.0168","","","0.044","0.0442","","","","","","1.324","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102325","6.8393","0.0018","6.8393","0.0018","14.005","0.004","90","","90","","120","","567.3","0.3","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl2 Cu3.67 H6 Mg0.33 O6 -","- Cl2 Cu3.686 H6 Mg0.314 O6 -","- Cl6 Cu11.058 H18 Mg0.942 O18 -","3","0.0833333","","Shaoyan Chu; Tyrel M. McQueen; Robin Chisnell; Danna E. Freedman; Peter Müller; Young S. Lee; Daniel G. Nocera","A Cu2+ (S = 1/2) Kagomé Antiferromagnet: MgxCu4-x(OH)6Cl2","Journal of the American Chemical Society","2010","132","","5570","5571","10.1021/ja1008322","","","0.71073","MoKα","","0.0221","0.0219","","","0.0555","0.0556","","","","","","1.244","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102326","6.8322","0.0011","6.8322","0.0011","13.96","0.002","90","","90","","120","","564.34","0.15","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl2 Cu3.25 H6 Mg0.75 O6 -","- Cl2 Cu3.252 H6 Mg0.748 O6 -","- Cl6 Cu9.756 H18 Mg2.244 O18 -","3","0.0833333","","Shaoyan Chu; Tyrel M. McQueen; Robin Chisnell; Danna E. Freedman; Peter Müller; Young S. Lee; Daniel G. Nocera","A Cu2+ (S = 1/2) Kagomé Antiferromagnet: MgxCu4-x(OH)6Cl2","Journal of the American Chemical Society","2010","132","","5570","5571","10.1021/ja1008322","","","0.71073","MoKα","","0.0172","0.0162","","","0.0414","0.0421","","","","","","1.194","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102327","7.1277","0.0001","11.2873","0.0002","13.6337","0.0002","90","","105.186","0.001","90","","1058.56","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F N2 O -","- C12 H11 F N2 O -","- C48 H44 F4 N8 O4 -","4","1","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.0624","0.0519","","","0.1515","0.1637","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102328","7.0622","0.0004","7.2019","0.0004","11.5013","0.0006","73.718","0.003","80.875","0.003","75.073","0.002","540.2","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C24 H24 N4 O4 -","2","1","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.0991","0.0806","","","0.2527","0.2694","","","","","","1.018","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102329","7.511","0.0001","21.9578","0.0003","8.049","0.0001","90","","110.047","0.001","90","","1247.05","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-4-(2,5-diemethylbenzylidene)-1,2-dimethyl- 1H-imidazol-5(4H)-one","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C56 H64 N8 O4 -","4","1","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.0563","0.047","","","0.1445","0.1519","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102330","27.911","0.007","27.911","0.007","8.407","0.002","90","","90","","120","","5672","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","(Z)-4-(2,5-diemethylbenzylidene)-1,2-dimethyl- 1H-imidazol-5(4H)-one","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C252 H288 N36 O18 -","18","1","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.0584","0.0425","","","0.1363","0.1547","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102331","6.9641","0.0003","7.4052","0.0003","12.8203","0.0005","100.458","0.003","97.239","0.002","112.435","0.003","586.93","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C26 H28 N4 O4 -","2","1","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.0481","0.0415","","","0.1222","0.1354","","","","","","1.122","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102332","7.555","0.004","17.172","0.008","16.754","0.008","90","","90.999","0.012","90","","2173.2","1.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","2","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.1378","0.0714","","","0.1757","0.1997","","","","","","1.001","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102333","7.2224","0.0002","7.3215","0.0001","12.4936","0.0003","96.864","0.001","100.939","0.001","115.801","0.002","568.51","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C26 H28 N4 O2 -","2","1","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.055","0.0452","","","0.1276","0.1399","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102334","7.0404","0.0008","7.2141","0.0007","11.4902","0.0011","74.02","0.006","80.942","0.006","75.193","0.004","540.02","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C24 H24 N4 O4 -","2","1","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.0985","0.0653","","","0.1891","0.2079","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102335","10.2568","0.0003","10.47","0.0003","12.1996","0.0005","96.512","0.002","106.279","0.002","118.988","0.001","1050.44","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","2","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.0563","0.0489","","","0.1343","0.1406","","","","","","1.111","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102336","7.242","0.001","7.939","0.002","14.711","0.003","91.26","0.02","90.96","0.02","95.55","0.03","841.5","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Marek-51 (Bishu)","","","- C18 H26 O3 -","- C18 H26 O3 -","- C36 H52 O6 -","2","1","","Bishnu Dutta; Noga Gilboa; Ilan Marek","Highly Diastereoselective Preparation of Homoallylic Alcohols Containing Two Contiguous Quaternary Stereocenters in Acyclic Systems from Simple Terminal Alkynes","Journal of the American Chemical Society","2010","132","","5588","5589","10.1021/ja101371x","","","0.71073","MoKα","","0.1266","0.0565","","","0.1321","0.1543","","","","","","0.997","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102337","8.5787","0.0006","18.4977","0.0013","12.5721","0.0009","90","","90.313","0.003","90","","1995","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 Au F3 P -","- C18 H29 Au F3 P -","- C72 H116 Au4 F12 P4 -","4","1","","Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa","Gold(I)-Mediated C-H Activation of Arenes","Journal of the American Chemical Society","2010","132","","5580","5581","10.1021/ja101525w","","","0.71073","MoKα","","0.0277","0.0272","","","0.0696","0.0699","","","","","","1.133","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102338","8.56","0.003","20.335","0.006","12.155","0.004","90","","104.92","0.01","90","","2044.5","1.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Au F5 P -","- C18 H27 Au F5 P -","- C72 H108 Au4 F20 P4 -","4","1","","Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa","Gold(I)-Mediated C-H Activation of Arenes","Journal of the American Chemical Society","2010","132","","5580","5581","10.1021/ja101525w","","","0.71073","MoKα","","0.0448","0.0327","","","0.0645","0.0717","","","","","","0.786","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102339","8.528","0.003","18.534","0.005","12.578","0.004","90","","90.101","0.008","90","","1988","1.1","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 Au F3 P -","- C18 H29 Au F3 P -","- C72 H116 Au4 F12 P4 -","4","1","","Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa","Gold(I)-Mediated C-H Activation of Arenes","Journal of the American Chemical Society","2010","132","","5580","5581","10.1021/ja101525w","","","0.71073","MoKα","","0.036","0.033","","","0.0834","0.0868","","","","","","0.822","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102340","17.458","0.005","15.145","0.003","16.548","0.005","90","","116.557","0.005","90","","3913.7","1.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Au F2 P -","- C18 H30 Au F2 P -","- C144 H240 Au8 F16 P8 -","8","2","","Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa","Gold(I)-Mediated C-H Activation of Arenes","Journal of the American Chemical Society","2010","132","","5580","5581","10.1021/ja101525w","","","0.71073","MoKα","","0.0375","0.0326","","","0.0748","0.0788","","","","","","0.801","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102341","10.433","0.009","12.677","0.008","16.21","0.013","90","","104.65","0.02","90","","2074","3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 Au F2 P -","- C19 H32 Au F2 P -","- C76 H128 Au4 F8 P4 -","4","1","","Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa","Gold(I)-Mediated C-H Activation of Arenes","Journal of the American Chemical Society","2010","132","","5580","5581","10.1021/ja101525w","","","0.71073","MoKα","","0.0978","0.0676","","","0.213","0.2908","","","","","","1.241","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102342","8.837","0.004","20.754","0.007","11.608","0.005","90","","106.169","0.012","90","","2044.7","1.5","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Au N2 O4 P -","- C18 H30 Au N2 O4 P -","- C72 H120 Au4 N8 O16 P4 -","4","1","","Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa","Gold(I)-Mediated C-H Activation of Arenes","Journal of the American Chemical Society","2010","132","","5580","5581","10.1021/ja101525w","","","0.71073","MoKα","","0.0489","0.0433","","","0.1234","0.1579","","","","","","1.155","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102343","10.905","0.003","20.102","0.005","14.188","0.004","90","","100.793","0.007","90","","3055.2","1.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 Au F3 N2 -","- C33 H38 Au F3 N2 -","- C132 H152 Au4 F12 N8 -","4","1","","Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa","Gold(I)-Mediated C-H Activation of Arenes","Journal of the American Chemical Society","2010","132","","5580","5581","10.1021/ja101525w","","","0.71073","MoKα","","0.0418","0.0324","","","0.0724","0.0784","","","","","","0.819","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102344","11.677","0.004","13.18","0.004","26.365","0.009","90","","95.868","0.01","90","","4036","2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 Au F3 P -","- C24 H17 Au F3 P -","- C192 H136 Au8 F24 P8 -","8","1","","Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa","Gold(I)-Mediated C-H Activation of Arenes","Journal of the American Chemical Society","2010","132","","5580","5581","10.1021/ja101525w","","","0.71073","MoKα","","0.0743","0.0524","","","0.1545","0.2302","","","","","","1.205","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102345","15.95","0.003","11.7","0.002","10.21","0.002","90","","112.77","0.03","90","","1756.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H13 Cd N3 O4 -","- C18 H13 Cd N3 O4 -","- C72 H52 Cd4 N12 O16 -","4","0.5","","Hai-Long Jiang; Yoshiro Tatsu; Zhang-Hui Lu; Qiang Xu","Non-, Micro-, and Mesoporous Metal-Organic Framework Isomers: Reversible Transformation, Fluorescence Sensing, and Large Molecule Separation","Journal of the American Chemical Society","2010","132","","5586","5587","10.1021/ja101541s","","","0.71073","MoKα","","0.0855","0.0491","","","0.1165","0.1411","","","","","","1.02","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102346","13.7","0.003","21.05","0.004","11.72","0.002","90","","90","","90","","3379.9","1.1","293","2","293","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C18 H13 Cd N3 O4 -","- C18 H13 Cd N3 O4 -","- C72 H52 Cd4 N12 O16 -","4","0.5","","Hai-Long Jiang; Yoshiro Tatsu; Zhang-Hui Lu; Qiang Xu","Non-, Micro-, and Mesoporous Metal-Organic Framework Isomers: Reversible Transformation, Fluorescence Sensing, and Large Molecule Separation","Journal of the American Chemical Society","2010","132","","5586","5587","10.1021/ja101541s","","","0.71073","MoKα","","0.0622","0.0443","","","0.1022","0.1065","","","","","","0.805","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102347","25.29","0.004","25.29","0.004","11.69","0.002","90","","90","","120","","6475","1.8","293","2","293","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C18 H13 Cd N3 O4 -","- C18 H13 Cd N3 O4 -","- C108 H78 Cd6 N18 O24 -","6","0.5","","Hai-Long Jiang; Yoshiro Tatsu; Zhang-Hui Lu; Qiang Xu","Non-, Micro-, and Mesoporous Metal-Organic Framework Isomers: Reversible Transformation, Fluorescence Sensing, and Large Molecule Separation","Journal of the American Chemical Society","2010","132","","5586","5587","10.1021/ja101541s","","","0.71073","MoKα","","0.1234","0.0763","","","0.172","0.191","","","","","","1.067","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102348","16.105","0.004","11.323","0.003","15.526","0.004","90","","107.556","0.005","90","","2699.4","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H51 B Cl N Os P2 -","- C20 H51 B Cl N Os P2 -","- C80 H204 B4 Cl4 N4 Os4 P8 -","4","1","","Miguel A. Esteruelas; Francisco J. Fernández-Alvarez; Ana M. López; Malka Mora; Enrique Oñate","Borinium Cations as σ-B-H Ligands in Osmium Complexes","Journal of the American Chemical Society","2010","132","","5600","5601","10.1021/ja101806x","","","0.71073","MoKα","","0.0635","0.0386","","","0.0784","0.0861","","","","","","1.004","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102349","14.005","0.002","10.5978","0.0018","26.244","0.004","90","","101.324","0.003","90","","3819.4","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H69 B2 Cl O4 Os P2 -","- C30 H69 B2 Cl O4 Os P2 -","- C120 H276 B8 Cl4 O16 Os4 P8 -","4","1","","Miguel A. Esteruelas; Francisco J. Fernández-Alvarez; Ana M. López; Malka Mora; Enrique Oñate","Borinium Cations as σ-B-H Ligands in Osmium Complexes","Journal of the American Chemical Society","2010","132","","5600","5601","10.1021/ja101806x","","","0.71073","MoKα","","0.09","0.0463","","","0.0746","0.0849","","","","","","1.008","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102350","8.224","0.0016","6.585","0.0013","13.899","0.003","90","","94.19","0.03","90","","750.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 Br O2 -","- C18 H19 Br O2 -","- C36 H38 Br2 O4 -","2","1","","Kazutaka Shibatomi; Kentaro Futatsugi; Fumito Kobayashi; Seiji Iwasa; Hisashi Yamamoto","Stereoselective Construction of Halogenated Quaternary Stereogenic Centers via Catalytic Asymmetric Diels-Alder Reaction","Journal of the American Chemical Society","2010","132","","5625","5627","10.1021/ja1018628","","","0.71073","MoKα","","0.047","0.0422","","","0.097","0.0984","","","","","","0.981","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102351","7.0708","0.0015","16.433","0.003","13.37","0.003","90","","92.797","0.003","90","","1551.7","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 Br O2 -","- C19 H21 Br O2 -","- C76 H84 Br4 O8 -","4","2","","Kazutaka Shibatomi; Kentaro Futatsugi; Fumito Kobayashi; Seiji Iwasa; Hisashi Yamamoto","Stereoselective Construction of Halogenated Quaternary Stereogenic Centers via Catalytic Asymmetric Diels-Alder Reaction","Journal of the American Chemical Society","2010","132","","5625","5627","10.1021/ja1018628","","","0.71073","MoKα","","0.0306","0.0283","","","0.0595","0.06","","","","","","0.974","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102352","6.5078","0.0013","16.614","0.003","13.417","0.003","90","","91.79","0.03","90","","1449.9","0.5","20","","20","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 Cl O2 -","- C18 H19 Cl O2 -","- C72 H76 Cl4 O8 -","4","2","","Kazutaka Shibatomi; Kentaro Futatsugi; Fumito Kobayashi; Seiji Iwasa; Hisashi Yamamoto","Stereoselective Construction of Halogenated Quaternary Stereogenic Centers via Catalytic Asymmetric Diels-Alder Reaction","Journal of the American Chemical Society","2010","132","","5625","5627","10.1021/ja1018628","","","0.41328","","","0.0534","0.0517","","","0.1266","0.1284","","","","","","1.118","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102353","9.85577","0.00007","9.85577","0.00007","9.85577","0.00007","90","","90","","90","","957.352","0.012","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Ga0.894 S8 Ti3.4 V -","- Ga0.894 S8 Ti3.4 V -","- Ga3.576 S32 Ti13.6 V4 -","4","0.0416667","","Eugen Dorolti; Laurent Cario; Benoît Corraze; Etienne Janod; Cristian Vaju; Hyun-Joo Koo; Erjun Kan; Myung-Hwan Whangbo","Half-Metallic Ferromagnetism and Large Negative Magnetoresistance in the New Lacunar Spinel GaTi3VS8","Journal of the American Chemical Society","2010","132","","5704","5710","10.1021/ja908128b","powder diffraction","","","X-ray","","","","","","","","","4.8953","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102354","9.721893","0.00002","9.721893","0.00002","9.721893","0.00002","90","","90","","90","","918.867","0.003","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Ga1.021 S8 Ti V3 -","- Ga1.021 S8 Ti V3 -","- Ga4.084 S32 Ti4 V12 -","4","0.0416667","","Eugen Dorolti; Laurent Cario; Benoît Corraze; Etienne Janod; Cristian Vaju; Hyun-Joo Koo; Erjun Kan; Myung-Hwan Whangbo","Half-Metallic Ferromagnetism and Large Negative Magnetoresistance in the New Lacunar Spinel GaTi3VS8","Journal of the American Chemical Society","2010","132","","5704","5710","10.1021/ja908128b","powder diffraction","","","","","","","","","","","","4.5761","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102355","4.58878","0.00015","4.58878","0.00015","2.95756","0.00018","90","","90","","90","","62.277","0.005","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- O2 Ti -","- O2 Ti -","- O4 Ti2 -","2","0.125","","Eugen Dorolti; Laurent Cario; Benoît Corraze; Etienne Janod; Cristian Vaju; Hyun-Joo Koo; Erjun Kan; Myung-Hwan Whangbo","Half-Metallic Ferromagnetism and Large Negative Magnetoresistance in the New Lacunar Spinel GaTi3VS8","Journal of the American Chemical Society","2010","132","","5704","5710","10.1021/ja908128b","powder diffraction","","","","","","","","","","","","31.8903","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102356","24.333","0.005","4.111","0.0008","19.673","0.004","90","","90","","90","","1967.9","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Iron Lead Antinony Selenide (0.75/3.25/4/10)","","- Fe0.75 Pb3.25 Sb4 Se10 -","- Fe0.75 Pb3.25 Sb4 Se10 -","- Fe3 Pb13 Sb16 Se40 -","4","0.5","","Pierre F. P. Poudeu; Nathan Takas; Clarence Anglin; James Eastwood; Arianna Rivera","Fe~x~Pb~4-x~Sb~4~Se~10~: A New Class of Ferromagnetic Semiconductors with Quasi 1D {Fe~2~Se~10~} Ladders","Journal of the American Chemical Society","2010","132","","5751","5760","10.1021/ja910545e","","","0.71073","MoKα","","0.0293","0.0293","","","0.0717","0.0717","","","","","","1.232","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102357","19.6918","0.0009","4.1153","0.0002","24.3607","0.0011","90","","90.02","0.01","90","","1974.13","0.16","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Iron Lead Antinony Selenide (0.96/3.04/4/10)","","- Fe0.96 Pb3.04 Sb4 Se10 -","- Fe0.9615 Pb3.0385 Sb4 Se10 -","- Fe3.846 Pb12.154 Sb16 Se40 -","4","1","","Pierre F. P. Poudeu; Nathan Takas; Clarence Anglin; James Eastwood; Arianna Rivera","Fe~x~Pb~4-x~Sb~4~Se~10~: A New Class of Ferromagnetic Semiconductors with Quasi 1D {Fe~2~Se~10~} Ladders","Journal of the American Chemical Society","2010","132","","5751","5760","10.1021/ja910545e","","","0.71073","MoKα","","0.0282","0.0282","","","0.0664","0.0664","","","","","","1.22","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102358","9.6088","0.0009","9.6875","0.0008","14.5497","0.0016","72.189","0.007","89.358","0.01","88.158","0.007","1288.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H25 Cl8 N3 Sb -","- C16 H25 Cl8 N3 Sb -","- C32 H50 Cl16 N6 Sb2 -","2","1","","Almaz S. Jalilov; Gaoquan Li; Stephen F. Nelsen; Ilia A. Guzei; Qin Wu","Solution and Solid-State Studies of Doubly Trimethylene-Bridged Tetraalkyl p-Phenylenediamine Diradical Dication Conformations","Journal of the American Chemical Society","2010","132","","6176","6182","10.1021/ja100322k","","","1.54178","Cu-Kα","","0.09","0.0814","","","0.2183","0.2288","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102359","9.2925","0.0003","14.6281","0.0004","15.0725","0.0005","90","","103.215","0.002","90","","1994.57","0.11","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C30 H48 F12 N4 Sb2 -","- C30 H48 F11 N4 Sb2 -","- C60 H96 F22 N8 Sb4 -","2","0.5","","Almaz S. Jalilov; Gaoquan Li; Stephen F. Nelsen; Ilia A. Guzei; Qin Wu","Solution and Solid-State Studies of Doubly Trimethylene-Bridged Tetraalkyl p-Phenylenediamine Diradical Dication Conformations","Journal of the American Chemical Society","2010","132","","6176","6182","10.1021/ja100322k","","","1.54178","Cu-Kα","","0.0551","0.0395","","","0.0862","0.0915","","","","","","1.003","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102360","7.2994","0.0003","12.7484","0.0006","21.9094","0.001","90","","94.84","0.004","90","","2031.52","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 Cl12 N6 Sb2 -","- C26 H38 Cl12 N6 Sb2 -","- C52 H76 Cl24 N12 Sb4 -","2","0.5","","Almaz S. Jalilov; Gaoquan Li; Stephen F. Nelsen; Ilia A. Guzei; Qin Wu","Solution and Solid-State Studies of Doubly Trimethylene-Bridged Tetraalkyl p-Phenylenediamine Diradical Dication Conformations","Journal of the American Chemical Society","2010","132","","6176","6182","10.1021/ja100322k","","","1.54178","CuKα","","0.0874","0.0646","","","0.1265","0.1353","","","","","","1.146","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102361","6.5273","0.0005","10.0768","0.0008","11.9925","0.00013","109.5","0.005","100.439","0.005","104.66","0.05","688.1","0.3","100","1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 F12 N4 Sb2 -","- C22 H32 F12 N4 Sb2 -","- C22 H32 F12 N4 Sb2 -","1","0.5","","Almaz S. Jalilov; Gaoquan Li; Stephen F. Nelsen; Ilia A. Guzei; Qin Wu","Solution and Solid-State Studies of Doubly Trimethylene-Bridged Tetraalkyl p-Phenylenediamine Diradical Dication Conformations","Journal of the American Chemical Society","2010","132","","6176","6182","10.1021/ja100322k","","","1.54178","Cu-Kα","","0.0319","0.0307","","","0.0804","0.081","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102362","12.5994","0.0006","21.9541","0.001","12.828","0.0006","90","","95.825","0.002","90","","3530","0.3","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 F6 Ir N6 P -","- C38 H34 F6 Ir N6 P -","- C152 H136 F24 Ir4 N24 P4 -","4","1","","Rubén D. Costa; Enrique Ortí; Henk J. Bolink; Stefan Graber; Catherine E. Housecroft; Edwin C. Constable","Intramolecular π-Stacking in a Phenylpyrazole-Based Iridium Complex and Its Use in Light-Emitting Electrochemical Cells","Journal of the American Chemical Society","2010","132","","5978","5980","10.1021/ja1010674","","","0.71073","MoKα","","0.0628","0.0222","","0.0417","0.0201","0.0201","","","","","","1.0936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102363","7.5884","0.0005","11.4643","0.0008","20.3343","0.0013","86.321","0.003","83.111","0.003","72.125","0.003","1670.75","0.19","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Cl2 N2 Ni O4 -","- C36 H42 Cl2 N2 Ni O4 -","- C72 H84 Cl4 N4 Ni2 O8 -","2","1","","James D. Crowley; Stephen M. Goldup; Nicholas D. Gowans; David A. Leigh; Vicki E. Ronaldson; Alexandra M. Z. Slawin","An Unusual Nickel-Copper-Mediated Alkyne Homocoupling Reaction for the Active-Template Synthesis of [2]Rotaxanes","Journal of the American Chemical Society","2010","132","","6243","6248","10.1021/ja101121j","","","0.71073","MoKα","","0.0442","0.0415","","","0.0999","0.1015","","","","","","1.139","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102364","19.191","0.003","8.4088","0.001","29.802","0.004","90","","90","","90","","4809.2","1.1","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H38 Cl2 Cr N6 -","- C18 H38 Cl2 Cr N6 -","- C144 H304 Cl16 Cr8 N48 -","8","1","","Jaeheung Cho; Jaeyoung Woo; Wonwoo Nam","An ""End-On"" Chromium(III)-Superoxo Complex: Crystallographic and Spectroscopic Characterization and Reactivity in C-H Bond Activation of Hydrocarbons","Journal of the American Chemical Society","2010","132","","5958","5959","10.1021/ja1015926","","","0.71073","MoKα","","0.1182","0.0781","","","0.2209","0.2367","","","","","","1.182","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102365","9.395","0.003","11.455","0.004","12.58","0.005","115.39","0.02","93.81","0.02","93.85","0.02","1213.5","0.8","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H38 Cl2 Cr N6 O2 -","- C18 H38 Cl2 Cr N6 O2 -","- C36 H76 Cl4 Cr2 N12 O4 -","2","1","","Jaeheung Cho; Jaeyoung Woo; Wonwoo Nam","An ""End-On"" Chromium(III)-Superoxo Complex: Crystallographic and Spectroscopic Characterization and Reactivity in C-H Bond Activation of Hydrocarbons","Journal of the American Chemical Society","2010","132","","5958","5959","10.1021/ja1015926","","","0.71073","MoKα","","0.1073","0.0726","","","0.2563","0.2685","","","","","","1.192","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102366","16.945","0.003","20.205","0.004","18.017","0.004","90","","90.16","0.03","90","","6169","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H88 Mo6 N4 O19 -","- C48 H88 Mo6 N4 O19 -","- C192 H352 Mo24 N16 O76 -","4","1","","Fengping Xiao; Jian Hao; Jin Zhang; Chunlin Lv; Panchao Yin; Longsheng Wang; Yongge Wei","Polyoxometalatocyclophanes: Controlled Assembly of Polyoxometalate-Based Chiral Metallamacrocycles from Achiral Building Blocks","Journal of the American Chemical Society","2010","132","","5956","5957","10.1021/ja101671q","","","0.71073","MoKα","","0.0788","0.048","","","0.1126","0.1325","","","","","","1.047","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102367","11.798","0.002","16.642","0.003","17.248","0.003","90","","106.91","0.03","90","","3240.1","1.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H92 Mo6 N4 O19 -","- C50 H92 Mo6 N4 O19 -","- C100 H184 Mo12 N8 O38 -","2","1","","Fengping Xiao; Jian Hao; Jin Zhang; Chunlin Lv; Panchao Yin; Longsheng Wang; Yongge Wei","Polyoxometalatocyclophanes: Controlled Assembly of Polyoxometalate-Based Chiral Metallamacrocycles from Achiral Building Blocks","Journal of the American Chemical Society","2010","132","","5956","5957","10.1021/ja101671q","","","0.71073","MoKα","","0.0312","0.0282","","","0.0698","0.0717","","","","","","1.049","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102368","11.78","0.002","16.623","0.003","17.258","0.004","90","","106.83","0.03","90","","3234.7","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H92 Mo6 N4 O19 -","- C50 H92 Mo6 N4 O19 -","- C100 H184 Mo12 N8 O38 -","2","1","","Fengping Xiao; Jian Hao; Jin Zhang; Chunlin Lv; Panchao Yin; Longsheng Wang; Yongge Wei","Polyoxometalatocyclophanes: Controlled Assembly of Polyoxometalate-Based Chiral Metallamacrocycles from Achiral Building Blocks","Journal of the American Chemical Society","2010","132","","5956","5957","10.1021/ja101671q","","","0.71073","MoKα","","0.0353","0.0322","","","0.079","0.0807","","","","","","1.054","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102369","12.426","0.003","12.58","0.003","23.06","0.005","81.09","0.03","77.37","0.03","79.7","0.03","3435.5","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H99 Mo6 N5 O19 -","- C54 H99 Mo6 N5 O19 -","- C108 H198 Mo12 N10 O38 -","2","1","","Fengping Xiao; Jian Hao; Jin Zhang; Chunlin Lv; Panchao Yin; Longsheng Wang; Yongge Wei","Polyoxometalatocyclophanes: Controlled Assembly of Polyoxometalate-Based Chiral Metallamacrocycles from Achiral Building Blocks","Journal of the American Chemical Society","2010","132","","5956","5957","10.1021/ja101671q","","","0.71073","MoKα","","0.0774","0.0486","","","0.1283","0.1548","","","","","","1.05","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102370","6.6135","0.0002","9.6729","0.0003","14.923","0.0005","85.1702","0.0017","82.1886","0.0018","81.5996","0.0017","933.63","0.05","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Br2 Co N2 O4 -","- C38 H48 Br2 Co N2 O4 -","- C38 H48 Br2 Co N2 O4 -","1","0.5","","R. D. Schmidt; D. A. Shultz; J. D. Martin; P. D. Boyle","Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photoinduced Valence Tautomerism and Light-Induced Thermal Hysteresis","Journal of the American Chemical Society","2010","132","","6261","6273","10.1021/ja101957c","","","0.71073","MoKα","","0.1283","0.0518","","","0.0871","0.1089","","","","","","0.979","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102371","10.335","0.0006","10.0315","0.0006","21.6292","0.0013","90","","90.82","0.003","90","","2242.2","0.2","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 Co N2 O4 -","- C40 H54 Co N2 O4 -","- C80 H108 Co2 N4 O8 -","2","0.5","","R. D. Schmidt; D. A. Shultz; J. D. Martin; P. D. Boyle","Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photoinduced Valence Tautomerism and Light-Induced Thermal Hysteresis","Journal of the American Chemical Society","2010","132","","6261","6273","10.1021/ja101957c","","","0.71073","MoKα","","0.1125","0.0826","","","0.199","0.214","","","","","","0.97","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102372","11.7175","0.0009","22.4237","0.0018","7.283","0.0006","90","","90.286","0.004","90","","1913.6","0.3","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Co N4 O8 -","- C38 H48 Co N4 O8 -","- C76 H96 Co2 N8 O16 -","2","0.5","","R. D. Schmidt; D. A. Shultz; J. D. Martin; P. D. Boyle","Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photoinduced Valence Tautomerism and Light-Induced Thermal Hysteresis","Journal of the American Chemical Society","2010","132","","6261","6273","10.1021/ja101957c","","","0.71073","MoKα","","0.1144","0.0861","","","0.178","0.1915","","","","","","1.147","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102373","11.6823","0.0016","21.061","0.003","7.4348","0.0011","90","","93.54","0.003","90","","1825.8","0.5","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Co N2 O6 -","- C40 H54 Co N2 O6 -","- C80 H108 Co2 N4 O12 -","2","0.5","","R. D. Schmidt; D. A. Shultz; J. D. Martin; P. D. Boyle","Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photoinduced Valence Tautomerism and Light-Induced Thermal Hysteresis","Journal of the American Chemical Society","2010","132","","6261","6273","10.1021/ja101957c","","","0.71073","MoKα","","0.0775","0.0485","","","0.093","0.1023","","","","","","1.079","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102374","10.463","0.002","9.266","0.002","22.165","0.005","90","","94.838","0.004","90","","2141.2","0.8","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H58 Co N2 O4 -","- C38 H50 Co N2 O4 -","- C76 H100 Co2 N4 O8 -","2","0.5","","R. D. Schmidt; D. A. Shultz; J. D. Martin; P. D. Boyle","Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photoinduced Valence Tautomerism and Light-Induced Thermal Hysteresis","Journal of the American Chemical Society","2010","132","","6261","6273","10.1021/ja101957c","","","0.71073","MoKα","","0.0655","0.0515","","","0.1387","0.1439","","","","","","1.178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102375","15.3071","0.0007","21.9836","0.0011","7.368","0.0003","90","","91.239","0.002","90","","2478.8","0.2","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H64 Co N4 O4 -","- C54 H64 Co N4 O4 -","- C108 H128 Co2 N8 O8 -","2","0.5","","R. D. Schmidt; D. A. Shultz; J. D. Martin; P. D. Boyle","Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photoinduced Valence Tautomerism and Light-Induced Thermal Hysteresis","Journal of the American Chemical Society","2010","132","","6261","6273","10.1021/ja101957c","","","0.71073","MoKα","","0.1019","0.0492","","","0.1046","0.1269","","","","","","1.027","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102376","10.9625","0.0005","8.5221","0.0004","24.6537","0.0009","90","","95.801","0.004","90","","2291.44","0.17","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H35 Cl2 Fe N5 O6 -","- C15 H35 Cl2 Fe N5 O6 -","- C60 H140 Cl8 Fe4 N20 O24 -","4","1","","Thengarai S. Venkatakrishnan; Shaon Sahoo; Nicolas Bréfuel; Carine Duhayon; Carley Paulsen; Anne-Laure Barra; S. Ramasesha; Jean-Pascal Sutter","Enhanced Ion Anisotropy by Nonconventional Coordination Geometry: Single-Chain Magnet Behavior for a [{FeIIL}2{NbIV(CN)8}] Helical Chain Compound Designed with Heptacoordinate FeII","Journal of the American Chemical Society","2010","132","","6047","6056","10.1021/ja9089389","","","0.71073","MoKα","","0.0391","0.0313","","","0.0849","0.0934","","","","","","1.101","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102377","13.4352","0.0005","17.59","0.001","21.0784","0.0008","90","","99.578","0.003","90","","4911.9","0.4","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H58 Fe2 Mo N18 O6 -","- C38 H46 Fe2 Mo N18 O6 -","- C152 H184 Fe8 Mo4 N72 O24 -","4","1","","Thengarai S. Venkatakrishnan; Shaon Sahoo; Nicolas Bréfuel; Carine Duhayon; Carley Paulsen; Anne-Laure Barra; S. Ramasesha; Jean-Pascal Sutter","Enhanced Ion Anisotropy by Nonconventional Coordination Geometry: Single-Chain Magnet Behavior for a [{FeIIL}2{NbIV(CN)8}] Helical Chain Compound Designed with Heptacoordinate FeII","Journal of the American Chemical Society","2010","132","","6047","6056","10.1021/ja9089389","","","0.71073","MoKα","","0.1891","0.0966","","0.1425","0.1123","0.1123","","","","","","1.1082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102378","13.403","0.005","17.532","0.005","21.084","0.005","90","","99.478","0.005","90","","4887","3","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H55 Fe2 N18 O4.5 W -","- C38 H46 Fe2 N18 O4.5 W -","- C152 H184 Fe8 N72 O18 W4 -","4","1","","Thengarai S. Venkatakrishnan; Shaon Sahoo; Nicolas Bréfuel; Carine Duhayon; Carley Paulsen; Anne-Laure Barra; S. Ramasesha; Jean-Pascal Sutter","Enhanced Ion Anisotropy by Nonconventional Coordination Geometry: Single-Chain Magnet Behavior for a [{FeIIL}2{NbIV(CN)8}] Helical Chain Compound Designed with Heptacoordinate FeII","Journal of the American Chemical Society","2010","132","","6047","6056","10.1021/ja9089389","","","0.71073","MoKα","","0.1633","0.06","","0.1042","0.0662","0.0662","","","","","","1.1357","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102379","11.861","0.006","13.143","0.006","16.803","0.008","101.311","0.004","97.606","0.009","100.814","0.007","2484","2","103.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 Br4 N4 O3 -","- C52 H62 Br4 N4 O3 -","- C104 H124 Br8 N8 O6 -","2","1","","Yoshiaki Shoji; Kentaro Tashiro; Takuzo Aida","One-Pot Enantioselective Extraction of Chiral Fullerene C76 Using a Cyclic Host Carrying an Asymmetrically Distorted, Highly π-Basic Porphyrin Module","Journal of the American Chemical Society","2010","132","","5928","5929","10.1021/ja910701q","","","0.71075","MoKα","","","0.0814","","","","0.22","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102380","11.6141","0.0008","18.8908","0.0014","10.0488","0.0006","90","","102.012","0.002","90","","2156.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 F3 N O4 -","- C24 H26 F3 N O4 -","- C96 H104 F12 N4 O16 -","4","1","","Hidenori Kinoshita; Oscar J. Ingham; Winnie W. Ong; Aaron B. Beeler; John A. Porco","Tandem Processes Identified from Reaction Screening: Nucleophilic Addition to Aryl N-Phosphinylimines Employing La(III)-TFAA Activation","Journal of the American Chemical Society","2010","132","","6412","6418","10.1021/ja100346w","","","0.71073","MoKα","","0.0733","0.0484","","","0.1094","0.1215","","","","","","1.04","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102381","10.9153","0.0012","7.296","0.0009","23.168","0.003","90","","93.879","0.006","90","","1840.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F3 N O4 -","- C21 H20 F3 N O4 -","- C84 H80 F12 N4 O16 -","4","1","","Hidenori Kinoshita; Oscar J. Ingham; Winnie W. Ong; Aaron B. Beeler; John A. Porco","Tandem Processes Identified from Reaction Screening: Nucleophilic Addition to Aryl N-Phosphinylimines Employing La(III)-TFAA Activation","Journal of the American Chemical Society","2010","132","","6412","6418","10.1021/ja100346w","","","0.71073","MoKα","","0.058","0.0433","","","0.0977","0.1047","","","","","","1.05","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102382","10.4731","0.0004","10.016","0.0004","18.348","0.0007","90","","104.366","0.002","90","","1864.5","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Br F3 N O -","- C21 H19 Br F3 N O -","- C84 H76 Br4 F12 N4 O4 -","4","1","","Hidenori Kinoshita; Oscar J. Ingham; Winnie W. Ong; Aaron B. Beeler; John A. Porco","Tandem Processes Identified from Reaction Screening: Nucleophilic Addition to Aryl N-Phosphinylimines Employing La(III)-TFAA Activation","Journal of the American Chemical Society","2010","132","","6412","6418","10.1021/ja100346w","","","0.71073","MoKα","","0.0555","0.0303","","","0.0599","0.0683","","","","","","1.025","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102383","10.32","0.003","11.387","0.004","12.207","0.004","90.235","0.012","115.124","0.011","105.603","0.011","1239.3","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 F3 N O4 -","- C28 H26 F3 N O4 -","- C56 H52 F6 N2 O8 -","2","1","","Hidenori Kinoshita; Oscar J. Ingham; Winnie W. Ong; Aaron B. Beeler; John A. Porco","Tandem Processes Identified from Reaction Screening: Nucleophilic Addition to Aryl N-Phosphinylimines Employing La(III)-TFAA Activation","Journal of the American Chemical Society","2010","132","","6412","6418","10.1021/ja100346w","","","0.71073","MoKα","","0.0833","0.0462","","","0.1134","0.1236","","","","","","1.082","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102384","19.6843","0.0007","17.8444","0.0005","25.7736","0.0009","90","","90","","90","","9053.1","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 F3 N O2 -","- C28 H24 F3 N O2 -","- C448 H384 F48 N16 O32 -","16","2","","Hidenori Kinoshita; Oscar J. Ingham; Winnie W. Ong; Aaron B. Beeler; John A. Porco","Tandem Processes Identified from Reaction Screening: Nucleophilic Addition to Aryl N-Phosphinylimines Employing La(III)-TFAA Activation","Journal of the American Chemical Society","2010","132","","6412","6418","10.1021/ja100346w","","","0.71073","MoKα","","0.082","0.047","","","0.1039","0.1205","","","","","","1.094","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102385","12.243","0.002","8.8775","0.0018","27.705","0.006","90","","98.35","0.03","90","","2979.3","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 O P Pd Si2 -","- C32 H37 O P Pd Si2 -","- C128 H148 O4 P4 Pd4 Si8 -","4","1","","Mathieu J.-L. Tschan; Eduardo J. García-Suárez; Zoraida Freixa; Hélène Launay; Henk Hagen; Jordi Benet-Buchholz; Piet W. N. M. van Leeuwen","Efficient Bulky Phosphines for the Selective Telomerization of 1,3-Butadiene with Methanol","Journal of the American Chemical Society","2010","132","","6463","6473","10.1021/ja100521m","","","0.71073","MoKα","","0.0343","0.0294","","","0.0734","0.0753","","","","","","1.064","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4102386","20.0915","0.0017","17.3002","0.0017","18.7964","0.0018","90","","94.156","0.004","90","","6516.2","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H41 O3 P Pd Si2 -","- C34 H41 O3 P Pd Si2 -","- C272 H328 O24 P8 Pd8 Si16 -","8","1","","Mathieu J.-L. Tschan; Eduardo J. García-Suárez; Zoraida Freixa; Hélène Launay; Henk Hagen; Jordi Benet-Buchholz; Piet W. N. M. van Leeuwen","Efficient Bulky Phosphines for the Selective Telomerization of 1,3-Butadiene with Methanol","Journal of the American Chemical Society","2010","132","","6463","6473","10.1021/ja100521m","","","0.71073","MoKα","","0.0671","0.0587","","","0.1527","0.1659","","","","","","1.029","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4102387","10.2083","0.0003","12.3688","0.0004","12.3907","0.0004","90.612","0.002","94.807","0.001","110.861","0.001","1455.42","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H37 O P Pd Si2 -","- C31 H37 O P Pd Si2 -","- C62 H74 O2 P2 Pd2 Si4 -","2","1","","Mathieu J.-L. Tschan; Eduardo J. García-Suárez; Zoraida Freixa; Hélène Launay; Henk Hagen; Jordi Benet-Buchholz; Piet W. N. M. van Leeuwen","Efficient Bulky Phosphines for the Selective Telomerization of 1,3-Butadiene with Methanol","Journal of the American Chemical Society","2010","132","","6463","6473","10.1021/ja100521m","","","0.71073","MoKα","","0.0407","0.0349","","","0.0889","0.0935","","","","","","1.054","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4102388","19.639","0.009","17.258","0.01","40.11","0.02","90","","90","","90","","13594","12","173","2","173","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C120 Cl12 -","- C120 Cl12 -","- C960 Cl96 -","8","1","","Igor V. Kuvychko; Alexey V. Streletskii; Natalia B. Shustova; Konrad Seppelt; Thomas Drewello; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Soluble Chlorofullerenes C~60~Cl~2,4,6,8,10~. Synthesis, Purification, Compositional Analysis, Stability, and Experimental/Theoretical Structure Elucidation, Including the X-ray Structure of C~1~-C~60~Cl~10~","Journal of the American Chemical Society","2010","132","","6443","6462","10.1021/ja1005256","","","0.71073","MoKα","","0.0991","0.0845","","","0.2139","0.2295","","","","","","1.099","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102389","9.997","0.0014","20.717","0.004","39.968","0.006","90","","90","","90","","8278","2","150","2","150","2","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- C60 Cl10 -","- C60 Cl10 -","- C480 Cl80 -","8","1","","Igor V. Kuvychko; Alexey V. Streletskii; Natalia B. Shustova; Konrad Seppelt; Thomas Drewello; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Soluble Chlorofullerenes C~60~Cl~2,4,6,8,10~. Synthesis, Purification, Compositional Analysis, Stability, and Experimental/Theoretical Structure Elucidation, Including the X-ray Structure of C~1~-C~60~Cl~10~","Journal of the American Chemical Society","2010","132","","6443","6462","10.1021/ja1005256","","","0.7749","synchrotron","","0.1418","0.0888","","","0.2049","0.2251","","","","","","1.072","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102390","5.673","0.0002","9.768","0.0004","22.1257","0.0009","90","","90","","90","","1226.07","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Ming-Kui Zhu; Jun-Feng Zhao; Teck-Peng Loh","Palladium-Catalyzed Oxime Assisted Intramolecular Dioxygenation of Alkenes with 1 atm of Air as the Sole Oxidant","Journal of the American Chemical Society","2010","132","","6284","6285","10.1021/ja100716x","","","0.71073","MoKα","","0.0653","0.0483","","","0.1398","0.1661","","","","","","1.103","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102391","7.4681","0.0017","12.7255","0.0016","17.4475","0.0018","90","","90","","90","","1658.1","0.5","292.1","","292.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O4 -","- C16 H18 Br N O4 -","- C64 H72 Br4 N4 O16 -","4","1","","Tomonori Misaki; Gouta Takimoto; Takashi Sugimura","Direct Asymmetric Aldol Reaction of 5H-Oxazol-4-ones with Aldehydes Catalyzed by Chiral Guanidines","Journal of the American Chemical Society","2010","132","","6286","6287","10.1021/ja101216x","","","0.71069","MoKα","","","0.0642","","","","0.062","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102392","7.5387","0.0006","8.0616","0.0008","9.2158","0.0009","64.967","0.004","83.532","0.004","81.588","0.004","501.2","0.08","","","293","","","","","","","","","4","P -1","-P 1","2","","Li 2,6-bis(ethoxycarbonyl)-3,7-dioxo-3,7-dihydro-s-indacene-1,5-bis(olate)","","- C9 H10 Li O6 -","- C9 H10 Li O6 -","- C18 H20 Li2 O12 -","2","1","","Wesley Walker; Sylvie Grugeon; Olivier Mentre; Stéphane Laruelle; Jean-Marie Tarascon; Fred Wudl","Ethoxycarbonyl-Based Organic Electrode for Li-Batteries","Journal of the American Chemical Society","2010","132","","6517","6523","10.1021/ja1012849","","","0.71069","MoKα","","0.0401","0.0319","","","0.0298","0.0338","","","","0.83","0.83","0.83","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102393","9.673","0.0005","12.8755","0.0006","14.3392","0.0007","102.753","0.003","99.036","0.003","91.5","0.003","1716.76","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 Cl2 Ni2 P2 -","- C36 H46 Cl2 Ni2 P2 -","- C72 H92 Cl4 Ni4 P4 -","2","1","","Alexandra Velian; Sibo Lin; Alexander J. M. Miller; Michael W. Day; Theodor Agapie","Synthesis and C-C Coupling Reactivity of a Dinuclear NiI-NiI Complex Supported by a Terphenyl Diphosphine","Journal of the American Chemical Society","2010","132","","6296","6297","10.1021/ja101699a","","","0.71073","MoKα","","0.0379","0.027","","","0.0532","0.0539","","","","","","2.237","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4102394","8.577","0.0003","14.8684","0.0005","21.6483","0.0007","90","","90","","90","","2760.73","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 Ni P2 -","- C30 H40 Ni P2 -","- C120 H160 Ni4 P8 -","4","1","","Alexandra Velian; Sibo Lin; Alexander J. M. Miller; Michael W. Day; Theodor Agapie","Synthesis and C-C Coupling Reactivity of a Dinuclear NiI-NiI Complex Supported by a Terphenyl Diphosphine","Journal of the American Chemical Society","2010","132","","6296","6297","10.1021/ja101699a","","","0.71073","MoKα","","0.039","0.0302","","","0.0568","0.0584","","","","","","1.311","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4102395","11.7255","0.0005","13.1876","0.0005","14.7366","0.0006","105.066","0.002","97.41","0.002","115.216","0.002","1914.32","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H55 Ni2 P2 -","- C45 H55 Ni2 P2 -","- C90 H110 Ni4 P4 -","2","1","","Alexandra Velian; Sibo Lin; Alexander J. M. Miller; Michael W. Day; Theodor Agapie","Synthesis and C-C Coupling Reactivity of a Dinuclear NiI-NiI Complex Supported by a Terphenyl Diphosphine","Journal of the American Chemical Society","2010","132","","6296","6297","10.1021/ja101699a","","","0.71073","MoKα","","0.0569","0.0334","","","0.0565","0.0577","","","","","","1.747","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4102396","7.1846","0.0013","25.477","0.004","9.4217","0.0016","90","","100.794","0.011","90","","1694.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34.41 H40 Ni2 O4.41 P2 -","- C34.3884 H40 Ni1.9942 O4.3884 P2 -","- C68.7768 H80 Ni3.9884 O8.7768 P4 -","2","0.5","","Alexandra Velian; Sibo Lin; Alexander J. M. Miller; Michael W. Day; Theodor Agapie","Synthesis and C-C Coupling Reactivity of a Dinuclear NiI-NiI Complex Supported by a Terphenyl Diphosphine","Journal of the American Chemical Society","2010","132","","6296","6297","10.1021/ja101699a","","","0.71073","MoKα","","0.1479","0.0651","","","0.0634","0.0709","","","","","","1.248","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4102397","16.0764","0.0008","20.7006","0.001","8.5956","0.0004","90","","90","","90","","2860.5","0.2","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H42 N O P Pd -","- C31 H42 N O P Pd -","- C124 H168 N4 O4 P4 Pd4 -","4","1","","Patrick S. Hanley; Dean Marković; John F. Hartwig","Intermolecular Insertion of Ethylene and Octene into a Palladium-Amide Bond. Spectroscopic Evidence for an Ethylene Amido Intermediate","Journal of the American Chemical Society","2010","132","","6302","6303","10.1021/ja102172m","","","0.71073","MoKα","","0.0606","0.038","","","0.0683","0.0759","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102398","13.9745","0.0008","18.6987","0.0011","20.417","0.0012","90","","102.129","0.004","90","","5216","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 N2 P2 Pd2 -","- C54 H68 N2 P2 Pd2 -","- C216 H272 N8 P8 Pd8 -","4","1","","Patrick S. Hanley; Dean Marković; John F. Hartwig","Intermolecular Insertion of Ethylene and Octene into a Palladium-Amide Bond. Spectroscopic Evidence for an Ethylene Amido Intermediate","Journal of the American Chemical Society","2010","132","","6302","6303","10.1021/ja102172m","","","0.71073","MoKα","","0.0315","0.0244","","","0.0599","0.0624","","","","","","1.051","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102399","8.1672","0.001","14.7597","0.0017","18.591","0.002","105.912","0.002","94.878","0.002","94.771","0.002","2134.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H31 Cl2 N O -","- C21 H31 Cl2 N O -","- C84 H124 Cl8 N4 O4 -","4","2","","Jonathan Clayden; Morgan Donnard; Julien Lefranc; Alberto Minassi; Daniel J. Tetlow","Tandem β-Alkylation-α-Arylation of Amines by Carbolithiation and Rearrangement of N-Carbamoyl Enamines (Vinyl Ureas)","Journal of the American Chemical Society","2010","132","","6624","6625","10.1021/ja1007992","","","0.71073","MoKα","","0.119","0.0678","","","0.1633","0.1866","","","","","","0.941","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102400","28.222","0.005","28.222","0.005","9.413","0.003","90","","90","","120","","6493","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H16 Co N10 -","- C24 H16 Co N10 -","- C216 H144 Co9 N90 -","9","0.5","","Jian-Bin Lin; Jie-Peng Zhang; Xiao-Ming Chen","Nonclassical Active Site for Enhanced Gas Sorption in Porous Coordination Polymer","Journal of the American Chemical Society","2010","132","","6654","6656","10.1021/ja1009635","","","0.71073","MoKα","","0.0637","0.0416","","","0.102","0.1082","","","","","","1","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102401","27.07","0.009","27.07","0.009","10.126","0.007","90","","90","","120","","6426","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C26 H20 Co N10 -","- C26 H20 Co N10 -","- C234 H180 Co9 N90 -","9","0.5","","Jian-Bin Lin; Jie-Peng Zhang; Xiao-Ming Chen","Nonclassical Active Site for Enhanced Gas Sorption in Porous Coordination Polymer","Journal of the American Chemical Society","2010","132","","6654","6656","10.1021/ja1009635","","","0.71073","MoKα","","0.1251","0.0856","","","0.2247","0.2473","","","","","","1.006","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102402","15.9812","0.0019","27.908","0.004","34.355","0.004","70.843","0.005","79.695","0.006","73.704","0.006","13829","3","173","0.1","173","0.2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C524 H534 Cu4 F24 N52 O30 P4 Zn2 -","- C524 H534 Cu4 F24 N52 O30 P4 Zn2 -","- C524 H534 Cu4 F24 N52 O30 P4 Zn2 -","1","0.5","","Jean-Paul Collin; Fabien Durola; Julien Frey; Valérie Heitz; Felipe Reviriego; Jean-Pierre Sauvage; Yann Trolez; Kari Rissanen","Templated Synthesis of Cyclic [4]Rotaxanes Consisting of Two Stiff Rods Threaded through Two Bis-macrocycles with a Large and Rigid Central Plate as Spacer","Journal of the American Chemical Society","2010","132","","6840","6850","10.1021/ja101759w","","x-ray","1.54184","CuKα","","0.2505","0.122","","","0.3031","0.357","","","","","","0.821","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102403","10.581","0.002","23.213","0.004","6.078","0.001","90","","90","","90","","1492.9","0.5","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu Mo3 O12 Rb4 -","- Cu Mo2.96 O12.02 Rb4 -","- Cu4 Mo11.84 O48.08 Rb16 -","4","0.5","","Rieko Ishii; Dixie Gautreaux; Keisuke Onuma; Yo Machida; Yoshiteru Maeno; Satoru Nakatsuji; Julia Y. Chan","Low-Dimensional Structure and Magnetism of the Quantum Antiferromagnet Rb4Cu(MoO4)3 and the Structure of Rb4Zn(MoO4)3","Journal of the American Chemical Society","2010","132","","7055","7061","10.1021/ja100077v","","","0.71073","MoKα","","0.0729","0.0508","","","0.1103","0.1188","","","","","","1.052","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102404","12.485","0.002","10.875","0.001","22.266","0.001","90","","90","","90","","3023.2","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Mo3 O12 Rb4 Zn -","- Mo3 O12 Rb4 Zn -","- Mo24 O96 Rb32 Zn8 -","8","1","","Rieko Ishii; Dixie Gautreaux; Keisuke Onuma; Yo Machida; Yoshiteru Maeno; Satoru Nakatsuji; Julia Y. Chan","Low-Dimensional Structure and Magnetism of the Quantum Antiferromagnet Rb4Cu(MoO4)3 and the Structure of Rb4Zn(MoO4)3","Journal of the American Chemical Society","2010","132","","7055","7061","10.1021/ja100077v","","","0.71073","MoKα","","0.0873","0.0456","","","0.0919","0.1062","","","","","","1.032","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102405","3.957","0.002","3.95715","","6.138","0.001","90","","90","","120","","83.24","0.04","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- La2 O3 -","- La2 O3 -","- La4 O6 -","2","0.0833333","","Cao Wang; Ming-qiu Tan; Chun-mu Feng; Zhi-feng Ma; Shuai Jiang; Zhu-an Xu; Guang-han Cao; Kazuyuki Matsubayashi; Yoshiya Uwatoko","La2Co2Se2O3: A Quasi-Two-Dimensional Mott Insulator with Unusual Cobalt Spin State and Possible Orbital Ordering","Journal of the American Chemical Society","2010","132","","7069","7073","10.1021/ja1001295","powder diffraction","","1.54056","CuK\α~1~","","","","","","","","","","1.42","","","","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102406","4.0697","0.0008","4.06965","","18.419","0.004","90","","90","","90","","305.06","0.09","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Co2 La2 O3 Se2 -","- Co2 La2 O3 Se2 -","- Co4 La4 O6 Se4 -","2","0.0625","","Cao Wang; Ming-qiu Tan; Chun-mu Feng; Zhi-feng Ma; Shuai Jiang; Zhu-an Xu; Guang-han Cao; Kazuyuki Matsubayashi; Yoshiya Uwatoko","La2Co2Se2O3: A Quasi-Two-Dimensional Mott Insulator with Unusual Cobalt Spin State and Possible Orbital Ordering","Journal of the American Chemical Society","2010","132","","7069","7073","10.1021/ja1001295","powder diffraction","","1.54056","CuK\α~1~","","","","","","","","","","1.42","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102407","12.653","0.0001","15.2413","0.0002","21.8305","0.0002","95.183","0.001","106.815","0.001","112.223","0.001","3634.6","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H82 As4 Cl2 Pt2 -","- C85 H82 As4 Cl2 Pt2 -","- C170 H164 As8 Cl4 Pt4 -","2","1","","Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian","Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature","Journal of the American Chemical Society","2010","132","","7094","7103","10.1021/ja1002313","","","0.71073","MoKα","","0.0398","0.0305","","","0.0705","0.0732","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102408","12.8447","0.0001","14.2111","0.0002","22.2162","0.0002","103.07","0.001","94.282","0.001","109.235","0.001","3680.33","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H82 As4 Cl2 Pt2 -","- C85 H82 As4 Cl2 Pt2 -","- C170 H164 As8 Cl4 Pt4 -","2","1","","Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian","Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature","Journal of the American Chemical Society","2010","132","","7094","7103","10.1021/ja1002313","","","0.71073","MoKα","","0.0473","0.03","","","0.0621","0.0657","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102409","12.2508","0.0001","12.2827","0.0001","12.7841","0.0002","87.55","0.001","79.142","0.001","83.834","0.001","1877.79","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C85.4 H82.8 As4 Cl2.8 Pt2 -","- C85.4 H82.8 As4 Cl2.8 Pt2 -","- C85.4 H82.8 As4 Cl2.8 Pt2 -","1","0.5","","Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian","Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature","Journal of the American Chemical Society","2010","132","","7094","7103","10.1021/ja1002313","","","0.71073","MoKα","","0.0311","0.0258","","","0.0634","0.0649","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102410","19.7061","0.0002","16.8389","0.0001","25.4236","0.0002","90","","109.641","0.0005","90","","7945.45","0.12","200","","200","","","","","","","","from RMIT university","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H84 As4 Cl6 Pt2 -","- C86 H84 As4 Cl6 Pt2 -","- C344 H336 As16 Cl24 Pt8 -","4","1","","Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian","Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature","Journal of the American Chemical Society","2010","132","","7094","7103","10.1021/ja1002313","","","0.71073","MoKα","","0.0387","0.0239","","0.0682","0.0541","0.0682","","","","","","0.9477","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102411","14.2622","0.0002","21.2716","0.0002","24.0645","0.0002","90","","105.077","0.0006","90","","7049.36","0.13","200","","200","","","","","","","","from RMIT University","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 As4 Br2 Pt2 -","- C84 H80 As4 Br2 Pt2 -","- C336 H320 As16 Br8 Pt8 -","4","1","","Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian","Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature","Journal of the American Chemical Society","2010","132","","7094","7103","10.1021/ja1002313","","","0.71073","MoKα","","0.0638","0.0248","","0.078","0.0528","0.078","","","","","","1.0012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102412","14.2887","0.0005","21.2992","0.0008","24.2678","0.0009","90","","105.115","0.0017","90","","7130.1","0.5","200","","200","","","","","","","","from RMIT University","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 As4 I2 Pt2 -","- C84 H80 As4 I2 Pt2 -","- C336 H320 As16 I8 Pt8 -","4","1","","Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian","Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature","Journal of the American Chemical Society","2010","132","","7094","7103","10.1021/ja1002313","","","0.71073","MoKα","","0.0926","0.0507","","0.0959","0.0766","0.0959","","","","","","1.0133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102413","13.2149","0.0001","13.6749","0.0002","23.5355","0.0003","76.373","0.0005","77.1321","0.0006","63.1672","0.0006","3655.02","0.08","200","","200","","","","","","","","from RMIT University","6","P -1","-P 1","2","","","","- C87 H82 As4 Cl2 N2 Pt2 -","- C87 H82 As4 Cl2 N2 Pt2 -","- C174 H164 As8 Cl4 N4 Pt4 -","2","1","","Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian","Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature","Journal of the American Chemical Society","2010","132","","7094","7103","10.1021/ja1002313","","","0.71073","MoKα","","0.045","0.0289","","0.0637","0.0605","0.0637","","","","","","0.8585","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102414","7.8543","0.0016","12.234","0.002","14.429","0.003","98.59","0.03","99.5","0.03","95.83","0.03","1340.7","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H48 O4 Si -","- C26 H48 O4 Si -","- C52 H96 O8 Si2 -","2","1","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Philippe Dagneau; Andreas Lanver; Michael P. Jennings; Stellios Arseniyadis; Raffaella Faraoni; Dimitrios E. Lizos","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the Originally Assigned Structure of Vannusal B","Journal of the American Chemical Society","2010","132","","7138","7152","10.1021/ja100740t","","","0.71073","MoKα","","0.0839","0.0684","","","0.163","0.1729","","","","","","1.095","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102415","6.8795","0.0014","14.854","0.003","19.609","0.004","90","","90","","90","","2003.8","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Br N O3 -","- C20 H25 Br N O3 -","- C80 H100 Br4 N4 O12 -","4","1","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Philippe Dagneau; Andreas Lanver; Michael P. Jennings; Stellios Arseniyadis; Raffaella Faraoni; Dimitrios E. Lizos","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the Originally Assigned Structure of Vannusal B","Journal of the American Chemical Society","2010","132","","7138","7152","10.1021/ja100740t","","","0.71073","MoKα","","0.0889","0.0529","","","0.1379","0.1576","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102416","38.042","0.008","11.144","0.002","26.725","0.005","90","","130.87","0.03","90","","8568","5","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H51 Br N O6 -","- C40 H52 Br N O6 -","- C320 H416 Br8 N8 O48 -","8","2","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Philippe Dagneau; Andreas Lanver; Michael P. Jennings; Stellios Arseniyadis; Raffaella Faraoni; Dimitrios E. Lizos","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the Originally Assigned Structure of Vannusal B","Journal of the American Chemical Society","2010","132","","7138","7152","10.1021/ja100740t","","","0.71073","MoKα","","0.1214","0.0713","","","0.1832","0.2194","","","","","","0.991","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102417","7.968","0.0016","11.498","0.002","15.381","0.003","103.76","0.03","97.93","0.03","97.76","0.03","1334.8","0.5","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H45 N O3 Si -","- C27 H45 N O3 Si -","- C54 H90 N2 O6 Si2 -","2","1","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Graziano Guella","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the True Structures of Vannusals A and B","Journal of the American Chemical Society","2010","132","","7153","7176","10.1021/ja100742b","","","0.71073","MoKα","","0.1034","0.0709","","","0.174","0.1884","","","","","","0.944","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102418","8.6041","0.0017","18.186","0.004","19.188","0.004","90","","90","","90","","3002.4","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O4 Si -","- C29 H52 O4 Si -","- C116 H208 O16 Si4 -","4","1","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Graziano Guella","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the True Structures of Vannusals A and B","Journal of the American Chemical Society","2010","132","","7153","7176","10.1021/ja100742b","","","0.71073","MoKα","","0.0992","0.0736","","","0.1566","0.1694","","","","","","1.109","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102419","7.552","0.0015","10.867","0.002","19.923","0.004","101.99","0.03","94.72","0.03","90.48","0.03","1593.4","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 O4 -","- C17 H28 O4 -","- C68 H112 O16 -","4","2","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Graziano Guella","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the True Structures of Vannusals A and B","Journal of the American Chemical Society","2010","132","","7153","7176","10.1021/ja100742b","","","0.71073","MoKα","","0.2491","0.1097","","","0.1706","0.2166","","","","","","0.987","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102420","8.0392","0.0016","12.061","0.002","31.538","0.006","90","","90","","90","","3057.9","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 O7 -","- C32 H46 O7 -","- C128 H184 O28 -","4","1","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Graziano Guella","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the True Structures of Vannusals A and B","Journal of the American Chemical Society","2010","132","","7153","7176","10.1021/ja100742b","","","0.71073","MoKα","","0.0734","0.0587","","","0.1364","0.1444","","","","","","1.066","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102421","12.8642","0.0019","20.417","0.003","9.1652","0.0013","90","","90.062","0.012","90","","2407.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TRN-2-173","","","- C26 H31 N4 O5 -","- C26 H31 N4 O5 -","- C104 H124 N16 O20 -","4","1","","Timothy Newhouse; Chad A. Lewis; Kyle J. Eastman; Phil S. Baran","Scalable Total Syntheses of N-Linked Tryptamine Dimers by Direct Indole-Aniline Coupling: Psychotrimine and Kapakahines B and F","Journal of the American Chemical Society","2010","132","","7119","7137","10.1021/ja1009458","","","1.54178","CuKα","","0.1423","0.0663","","","0.1508","0.1873","","","","","","0.986","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102422","10.5748","0.0009","10.8805","0.001","13.204","0.0012","69.47","0.006","78.957","0.005","65.684","0.005","1294.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 I2 N4 O3 -","- C25 H25 I2 N4 O3 -","- C50 H50 I4 N8 O6 -","2","1","","Timothy Newhouse; Chad A. Lewis; Kyle J. Eastman; Phil S. Baran","Scalable Total Syntheses of N-Linked Tryptamine Dimers by Direct Indole-Aniline Coupling: Psychotrimine and Kapakahines B and F","Journal of the American Chemical Society","2010","132","","7119","7137","10.1021/ja1009458","","","1.54178","CuKα","","0.0394","0.0332","","","0.0815","0.0843","","","","","","1.046","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102423","10.6409","0.0009","10.9163","0.0009","7.4015","0.0006","90","","110.311","0.001","90","","806.3","0.12","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Fe2 N4 O4 S2 -","- C12 H10 Fe2 N4 O4 S2 -","- C24 H20 Fe4 N8 O8 S4 -","2","0.5","","Zachary J. Tonzetich; Hongxin Wang; Devrani Mitra; Christine E. Tinberg; Loi H. Do; Francis E. Jenney; Michael W. W. Adams; Stephen P. Cramer; Stephen J. Lippard","Identification of Protein-Bound Dinitrosyl Iron Complexes by Nuclear Resonance Vibrational Spectroscopy","Journal of the American Chemical Society","2010","132","","6914","6916","10.1021/ja101002f","","","0.71073","MoKα","","0.015","0.0148","","","0.0398","0.0399","","","","","","1.155","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102424","8.1729","0.0013","10.0823","0.0017","15.84","0.003","90","","94.989","0.003","90","","1300.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Fe2 N5 O4 S2 -","- C20 H30 Fe2 N5 O4 S2 -","- C40 H60 Fe4 N10 O8 S4 -","2","0.5","","Zachary J. Tonzetich; Hongxin Wang; Devrani Mitra; Christine E. Tinberg; Loi H. Do; Francis E. Jenney; Michael W. W. Adams; Stephen P. Cramer; Stephen J. Lippard","Identification of Protein-Bound Dinitrosyl Iron Complexes by Nuclear Resonance Vibrational Spectroscopy","Journal of the American Chemical Society","2010","132","","6914","6916","10.1021/ja101002f","","","0.71073","MoKα","","0.0486","0.0343","","","0.0679","0.0736","","","","","","1.071","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102425","18.4727","0.0013","14.7923","0.001","13.2274","0.0009","90","","105.85","0.001","90","","3477","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N10 O16.5 S2 -","- C24 H34 N10 O16.5 S2 -","- C96 H136 N40 O66 S8 -","4","1","","Radu Custelcean; Aurelien Bock; Bruce A. Moyer","Selectivity Principles in Anion Separation by Crystallization of Hydrogen-Bonding Capsules","Journal of the American Chemical Society","2010","132","","7177","7185","10.1021/ja101354r","","","0.71073","MoKα","","0.1031","0.0873","","","0.2547","0.2724","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102426","12.4707","0.0008","18.3638","0.0011","13.0812","0.0008","90","","91.486","0.001","90","","2994.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Mg N20 O16 S0.35 Se0.65 -","- C48 H72 Mg N20 O16 S0.347 Se0.653 -","- C96 H144 Mg2 N40 O32 S0.694 Se1.306 -","2","0.5","","Radu Custelcean; Aurelien Bock; Bruce A. Moyer","Selectivity Principles in Anion Separation by Crystallization of Hydrogen-Bonding Capsules","Journal of the American Chemical Society","2010","132","","7177","7185","10.1021/ja101354r","","","0.71073","MoKα","","0.0549","0.0387","","","0.092","0.1004","","","","","","1.028","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102427","12.472","0.0008","18.3585","0.0011","13.058","0.0008","90","","91.49","0.001","90","","2988.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Mg N20 O16 S0.52 Se0.48 -","- C48 H72 Mg N20 O16 S0.522 Se0.478 -","- C96 H144 Mg2 N40 O32 S1.044 Se0.956 -","2","0.5","","Radu Custelcean; Aurelien Bock; Bruce A. Moyer","Selectivity Principles in Anion Separation by Crystallization of Hydrogen-Bonding Capsules","Journal of the American Chemical Society","2010","132","","7177","7185","10.1021/ja101354r","","","0.71073","MoKα","","0.0612","0.0421","","","0.0947","0.1021","","","","","","1.043","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102428","12.4742","0.0008","18.3503","0.0011","13.0549","0.0008","90","","91.54","0.001","90","","2987.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Mg N20 O16 S0.57 Se0.43 -","- C48 H72 Mg N20 O16 S0.569 Se0.431 -","- C96 H144 Mg2 N40 O32 S1.138 Se0.862 -","2","0.5","","Radu Custelcean; Aurelien Bock; Bruce A. Moyer","Selectivity Principles in Anion Separation by Crystallization of Hydrogen-Bonding Capsules","Journal of the American Chemical Society","2010","132","","7177","7185","10.1021/ja101354r","","","0.71073","MoKα","","0.0652","0.0434","","","0.0944","0.1034","","","","","","1.029","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102429","14.5468","0.0009","15.2501","0.001","17.7653","0.0012","102.369","0.001","90.138","0.001","97.355","0.001","3816.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H125 N8 Na O4 Si10 U2 -","- C44 H123 N8 Na O4 Si10 U2 -","- C88 H246 N16 Na2 O8 Si20 U4 -","2","1","","Skye Fortier; Guang Wu; Trevor W. Hayton","Synthesis of a Nitrido-Substituted Analogue of the Uranyl Ion, [N=U=O]+","Journal of the American Chemical Society","2010","132","","6888","6889","10.1021/ja101567h","","","0.71073","MoKα","","0.1521","0.064","","","0.1183","0.1467","","","","","","0.873","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102430","12.188","0.0016","25.359","0.003","18.12","0.002","90","","96.97","0.002","90","","5559.1","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H89 N6 Si10 U2 -","- C30 H84 N6 Si10 U2 -","- C120 H336 N24 Si40 U8 -","4","1","","Skye Fortier; Guang Wu; Trevor W. Hayton","Synthesis of a Nitrido-Substituted Analogue of the Uranyl Ion, [N=U=O]+","Journal of the American Chemical Society","2010","132","","6888","6889","10.1021/ja101567h","","","0.71073","MoKα","","0.0675","0.0434","","","0.1127","0.1314","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102431","13.891","0.002","22.52","0.003","22.837","0.003","90","","91.564","0.002","90","","7141.3","1.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42.75 H120.5 N6 Na O5.25 Si10 U2 -","- C41 H107 N6 Na O5.25 Si10 U2 -","- C164 H428 N24 Na4 O21 Si40 U8 -","4","1","","Skye Fortier; Guang Wu; Trevor W. Hayton","Synthesis of a Nitrido-Substituted Analogue of the Uranyl Ion, [N=U=O]+","Journal of the American Chemical Society","2010","132","","6888","6889","10.1021/ja101567h","","","0.71073","MoKα","","0.1272","0.0571","","","0.116","0.1453","","","","","","0.963","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102432","10.578","0.002","14.574","0.003","16.226","0.004","65.745","0.004","77.764","0.004","82.348","0.004","2225.9","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H53 N4 Rh -","- C56 H53 N4 Rh -","- C112 H106 N8 Rh2 -","2","1","","Yun Wai Chan; Kin Shing Chan","Metalloradical-Catalyzed Aliphatic Carbon-Carbon Activation of Cyclooctane","Journal of the American Chemical Society","2010","132","","6920","6922","10.1021/ja101586w","","","0.71073","MoKα","","0.0522","0.0424","","","0.1119","0.1208","","","","","","1.054","","","","has coordinates,has disorder","156328","2020-10-21","18:00:00",""
"4102433","23.601","0.004","25.572","0.005","27.944","0.005","90","","90","","90","","16865","5","90","2","90","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C103 H210 N45.62 O63.86 Pt6 -","- C103 H146 N45.62 O63.86 Pt6 -","- C412 H584 N182.48 O255.44 Pt24 -","4","1","","Tomohisa Sawada; Makoto Fujita","A Single Watson-Crick G.C Base Pair in Water: Aqueous Hydrogen Bonds in Hydrophobic Cavities","Journal of the American Chemical Society","2010","132","","7194","7201","10.1021/ja101718c","","","0.71073","MoKα","","0.0748","0.0496","","","0.1293","0.1459","","","","","","1.075","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102434","15.826","0.002","15.826","0.002","21.639","0.006","90","","90","","90","","5419.8","1.8","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C58 H44 Cd Cl2 N12 O12 -","- C58 H44 Cd Cl2 N12 O12 -","- C232 H176 Cd4 Cl8 N48 O48 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0831","0.0783","","","0.2143","0.2177","","","","","","1.133","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102435","15.8539","0.001","15.8539","0.001","21.66","0.003","90","","90","","90","","5444.2","0.9","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C58 H44 Cd Cl2 N12 O12 -","- C58 H44 Cd Cl2 N12 O12 -","- C232 H176 Cd4 Cl8 N48 O48 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.07","0.0638","","","0.1725","0.1775","","","","","","1.11","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102436","15.8773","0.0012","15.8773","0.0012","21.684","0.003","90","","90","","90","","5466.3","1","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C58 H44 Cd Cl2 N12 O12 -","- C58 H44 Cd Cl2 N12 O12 -","- C232 H176 Cd4 Cl8 N48 O48 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0728","0.0622","","","0.1704","0.1786","","","","","","1.091","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102437","15.937","0.002","15.937","0.002","21.884","0.007","90","","90","","90","","5558","2","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C58 H44 Cd Cl2 N12 O12 -","- C58 H44 Cd Cl2 N12 O12 -","- C232 H176 Cd4 Cl8 N48 O48 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0672","0.0578","","","0.1607","0.1671","","","","","","1.106","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102438","15.8926","0.0019","15.8926","0.0019","21.972","0.005","90","","90","","90","","5549.6","1.6","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C58 H44 Cd Cl2 N12 O12 -","- C58 H44 Cd Cl2 N12 O12 -","- C232 H176 Cd4 Cl8 N48 O48 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0685","0.0554","","","0.1533","0.165","","","","","","1.052","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102439","15.8318","0.0013","15.8318","0.0013","21.957","0.004","90","","90","","90","","5503.4","1.2","123","2","123","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C58 H44 Cd Cl2 N12 O10 S2 -","- C58 H44 Cd Cl2 N12 O10 S2 -","- C232 H176 Cd4 Cl8 N48 O40 S8 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0686","0.0593","","","0.1471","0.1526","","","","","","1.089","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102440","15.844","0.001","15.844","0.001","21.837","0.003","90","","90","","90","","5481.8","0.9","123","2","123","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C58 H44 Cd Cl2 N12 O10 S2 -","- C58 H44 Cd Cl2 N12 O10 S2 -","- C232 H176 Cd4 Cl8 N48 O40 S8 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0723","0.0584","","","0.1425","0.1512","","","","","","1.078","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102441","15.8792","0.0011","15.8792","0.0011","21.594","0.003","90","","90","","90","","5444.9","0.9","123","2","123","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C53 H40 Cd Cl2 N12 O9 S -","- C53 H40 Cd Cl2 N12 O9 S -","- C212 H160 Cd4 Cl8 N48 O36 S4 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0877","0.0693","","","0.1682","0.1774","","","","","","1.11","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102442","15.8271","0.0009","15.8271","0.0009","21.856","0.002","90","","90","","90","","5474.9","0.7","123","2","123","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C58 H44 Cd Cl2 N12 O10 S2 -","- C58 H44 Cd Cl2 N12 O10 S2 -","- C232 H176 Cd4 Cl8 N48 O40 S8 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0578","0.0521","","","0.1344","0.1388","","","","","","1.077","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102443","15.8731","0.001","15.8731","0.001","21.776","0.003","90","","90","","90","","5486.6","0.9","123","2","123","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C53 H40 Cd Cl2 N12 O9 S -","- C53 H40 Cd Cl2 N12 O9 S -","- C212 H160 Cd4 Cl8 N48 O36 S4 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0708","0.0632","","","0.169","0.1749","","","","","","1.097","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102444","15.877","0.0012","15.877","0.0012","21.806","0.003","90","","90","","90","","5496.8","1","123","2","123","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C53 H40 Cd Cl2 N12 O9 S -","- C53 H40 Cd Cl2 N12 O9 S -","- C212 H160 Cd4 Cl8 N48 O36 S4 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0756","0.0706","","","0.1819","0.1856","","","","","","1.165","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102445","15.8721","0.0009","15.8721","0.0009","21.636","0.003","90","","90","","90","","5450.6","0.9","123","2","123","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C53 H40 Cd Cl2 N12 O9 S -","- C53 H40 Cd Cl2 N12 O9 S -","- C212 H160 Cd4 Cl8 N48 O36 S4 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0651","0.0595","","","0.1659","0.1698","","","","","","1.14","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102446","15.8496","0.0016","15.8496","0.0016","21.709","0.004","90","","90","","90","","5453.5","1.3","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0554","0.0501","","","0.1294","0.1328","","","","","","1.082","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102447","15.8633","0.0016","15.8633","0.0016","21.76","0.003","90","","90","","90","","5475.8","1.1","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0542","0.0489","","","0.1329","0.1383","","","","","","1.091","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102448","15.8635","0.0008","15.8635","0.0008","21.463","0.002","90","","90","","90","","5401.2","0.6","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0449","0.0423","","","0.1138","0.116","","","","","","1.065","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102449","15.8832","0.0012","15.8832","0.0012","21.7","0.003","90","","90","","90","","5474.4","1","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0612","0.0531","","","0.1429","0.1482","","","","","","1.067","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102450","15.8725","0.0012","15.8725","0.0012","21.673","0.003","90","","90","","90","","5460.2","1","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0581","0.0528","","","0.1492","0.1533","","","","","","1.078","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102451","15.8878","0.0011","15.8878","0.0011","21.703","0.003","90","","90","","90","","5478.3","0.9","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0627","0.0544","","","0.1463","0.1524","","","","","","1.08","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102452","15.88","0.0013","15.88","0.0013","21.505","0.003","90","","90","","90","","5423","1","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.074","0.0521","","","0.131","0.143","","","","","","1.041","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102453","15.8809","0.0012","15.8809","0.0012","21.81","0.003","90","","90","","90","","5500.5","1","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0678","0.0563","","","0.1521","0.1616","","","","","","1.067","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102454","15.8508","0.0009","15.8508","0.0009","21.766","0.002","90","","90","","90","","5468.7","0.7","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H50 Cd Cl2 N14 O8 -","- C60 H50 Cd Cl2 N14 O8 -","- C240 H200 Cd4 Cl8 N56 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0571","0.0543","","","0.154","0.1559","","","","","","1.107","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102455","15.8548","0.001","15.8548","0.001","21.746","0.003","90","","90","","90","","5466.4","0.9","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H50 Cd Cl2 N14 O8 -","- C60 H50 Cd Cl2 N14 O8 -","- C240 H200 Cd4 Cl8 N56 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0498","0.0482","","","0.1381","0.1398","","","","","","1.086","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102456","15.8029","0.0019","15.8029","0.0019","21.845","0.005","90","","90","","90","","5455.4","1.6","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H50 Cd Cl2 N14 O8 -","- C60 H50 Cd Cl2 N14 O8 -","- C240 H200 Cd4 Cl8 N56 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0539","0.0498","","","0.1353","0.1404","","","","","","1.081","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102457","15.8562","0.0013","15.8562","0.0013","21.765","0.004","90","","90","","90","","5472.1","1.2","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H50 Cd Cl2 N14 O8 -","- C60 H50 Cd Cl2 N14 O8 -","- C240 H200 Cd4 Cl8 N56 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0534","0.0505","","","0.1416","0.1444","","","","","","1.08","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102458","17.302","0.006","15.691","0.006","21.597","0.007","90","","110.365","0.014","90","","5497","3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.18 H40.18 Mn2 N28 O14 -","- C40.1756 H40.1756 Mn2 N28 O14 -","- C160.702 H160.702 Mn8 N112 O56 -","4","0.5","","Yasushi Morita; Yumi Yakiyama; Shigeaki Nakazawa; Tsuyoshi Murata; Tomoaki Ise; Daisuke Hashizume; Daisuke Shiomi; Kazunobu Sato; Masahiro Kitagawa; Kazuhiro Nakasuji; Takeji Takui","Triple-Stranded Metallo-Helicates Addressable as Lloyd's Electron Spin Qubits","Journal of the American Chemical Society","2010","132","","6944","6946","10.1021/ja102030w","","","0.71073","MoKα","","0.0527","0.0451","","","0.1352","0.1446","","","","","","1.043","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102459","27.4205","0.0013","12.9142","0.0008","17.9911","0.0009","90","","99.7512","0.0012","90","","6278.9","0.6","293.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 Cl3 N14 O8 Zn -","- C21 H22 Cl3 N14 O8 Zn -","- C168 H176 Cl24 N112 O64 Zn8 -","8","1","","Yasushi Morita; Yumi Yakiyama; Shigeaki Nakazawa; Tsuyoshi Murata; Tomoaki Ise; Daisuke Hashizume; Daisuke Shiomi; Kazunobu Sato; Masahiro Kitagawa; Kazuhiro Nakasuji; Takeji Takui","Triple-Stranded Metallo-Helicates Addressable as Lloyd's Electron Spin Qubits","Journal of the American Chemical Society","2010","132","","6944","6946","10.1021/ja102030w","","","0.71075","MoKα","","","0.0708","","","","0.1771","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102460","27.4347","0.0007","12.942","0.0003","18.0111","0.0005","90","","99.7962","0.0011","90","","6301.8","0.3","200.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 Cl3 N14 O8 Zn -","- C21 H22 Cl3 N14 O8 Zn -","- C168 H176 Cl24 N112 O64 Zn8 -","8","1","","Yasushi Morita; Yumi Yakiyama; Shigeaki Nakazawa; Tsuyoshi Murata; Tomoaki Ise; Daisuke Hashizume; Daisuke Shiomi; Kazunobu Sato; Masahiro Kitagawa; Kazuhiro Nakasuji; Takeji Takui","Triple-Stranded Metallo-Helicates Addressable as Lloyd's Electron Spin Qubits","Journal of the American Chemical Society","2010","132","","6944","6946","10.1021/ja102030w","","","0.71075","MoKα","","","0.0631","","","","0.1443","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102461","8.9031","0.0009","10.912","0.0011","14.4304","0.0015","103.615","0.001","102.272","0.002","97.529","0.001","1307","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cu2 N4 O9 S2 -","- C22 H26 Cu2 N4 O9 S2 -","- C44 H52 Cu4 N8 O18 S4 -","2","1","","Honghan Fei; David L. Rogow; Scott R. J. Oliver","Reversible Anion Exchange and Catalytic Properties of Two Cationic Metal-Organic Frameworks Based on Cu(I) and Ag(I)","Journal of the American Chemical Society","2010","132","","7202","7209","10.1021/ja102134c","","","0.7749","synchrotron","","0.05","0.0371","","","0.0957","0.1021","","","","","","1.037","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102462","7.353","0.0006","17.5538","0.0013","24.646","0.0018","90","","92.247","0.005","90","","3178.7","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H58 B4 Br4 N4 O25 -","- C55 H58 B4 Br4 N4 O25 -","- C110 H116 B8 Br8 N8 O50 -","2","0.5","","Eric M. Woerly; Alan H. Cherney; Erin K. Davis; Martin D. Burke","Stereoretentive Suzuki-Miyaura Coupling of Haloallenes Enables Fully Stereocontrolled Access to (-)-Peridinin","Journal of the American Chemical Society","2010","132","","6941","6943","10.1021/ja102721p","","","0.71073","MoKα","","0.1661","0.0466","","","0.0834","0.117","","","","","","0.97","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102463","8.0323","0.0004","12.7196","0.0006","15.1008","0.0007","90","","90.019","0.003","90","","1542.81","0.13","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 I O3 -","- C13 H19 I O3 -","- C52 H76 I4 O12 -","4","2","","Eric M. Woerly; Alan H. Cherney; Erin K. Davis; Martin D. Burke","Stereoretentive Suzuki-Miyaura Coupling of Haloallenes Enables Fully Stereocontrolled Access to (-)-Peridinin","Journal of the American Chemical Society","2010","132","","6941","6943","10.1021/ja102721p","","","0.71073","MoKα","","0.0384","0.0293","","","0.0613","0.0652","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102464","9.35","0.003","9.005","0.003","14.078","0.004","90","","115.103","0.005","90","","1073.4","0.6","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 B Br N O4 -","- C8 H11 B Br N O4 -","- C32 H44 B4 Br4 N4 O16 -","4","1","","Eric M. Woerly; Alan H. Cherney; Erin K. Davis; Martin D. Burke","Stereoretentive Suzuki-Miyaura Coupling of Haloallenes Enables Fully Stereocontrolled Access to (-)-Peridinin","Journal of the American Chemical Society","2010","132","","6941","6943","10.1021/ja102721p","","","0.71073","MoKα","","0.0386","0.0331","","","0.09","0.0936","","","","","","1.053","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102465","12.221","0.0003","7.726","0.0002","14.1518","0.0003","90","","90.599","0.002","90","","1336.13","0.06","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H43 B O4 Si -","- C23 H43 B O4 Si -","- C46 H86 B2 O8 Si2 -","2","1","","Eric M. Woerly; Alan H. Cherney; Erin K. Davis; Martin D. Burke","Stereoretentive Suzuki-Miyaura Coupling of Haloallenes Enables Fully Stereocontrolled Access to (-)-Peridinin","Journal of the American Chemical Society","2010","132","","6941","6943","10.1021/ja102721p","","","0.71073","MoKα","","0.0484","0.037","","","0.0818","0.087","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102466","9.9461","0.0019","12.038","0.002","14.418","0.003","106.355","0.003","103.637","0.003","91.494","0.002","1601.8","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C48 H97 N2 O41.5 -","- C48 H97 N2 O41.5 -","- C48 H97 N2 O41.5 -","1","1","","Shenshen Hu; Jiuyuan Li; Junfeng Xiang; Jie Pan; Sanzhong Luo; Jin-Pei Cheng","Asymmetric Supramolecular Primary Amine Catalysis in Aqueous Buffer: Connections of Selective Recognition and Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","7216","7228","10.1021/ja102819g","","","0.71073","MoKα","","0.0522","0.0504","","","0.1282","0.13","","","","","","1.091","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102467","17.3691","0.0003","13.0764","0.0002","15.8971","0.0003","90","","111.277","0.002","90","","3364.52","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 N4 Si -","- C36 H50 N4 Si -","- C144 H200 N16 Si4 -","4","1","","Yun Xiong; Shenglai Yao; Robert Müller; Martin Kaupp; Matthias Driess","Activation of Ammonia by a Si=O Double Bond and Formation of a Unique Pair of Sila-Hemiaminal and Silanoic Amide Tautomers","Journal of the American Chemical Society","2010","132","","6912","6913","10.1021/ja1031024","","","0.71073","MoKα","","0.0578","0.0445","","","0.101","0.1068","","","","","","1.077","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102468","9.2101","0.0003","12.0914","0.0004","18.2291","0.0007","95.548","0.003","104.5","0.003","94.189","0.003","1946.19","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H54 Cl4 N4 O Si -","- C38 H54 Cl4 N4 O Si -","- C76 H108 Cl8 N8 O2 Si2 -","2","1","","Yun Xiong; Shenglai Yao; Robert Müller; Martin Kaupp; Matthias Driess","Activation of Ammonia by a Si=O Double Bond and Formation of a Unique Pair of Sila-Hemiaminal and Silanoic Amide Tautomers","Journal of the American Chemical Society","2010","132","","6912","6913","10.1021/ja1031024","","","0.71073","MoKα","","0.0668","0.0543","","","0.1332","0.1393","","","","","","1.118","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102469","23.9515","0.0009","20.835","0.0007","28.7818","0.0013","90","","109.422","0.005","90","","13545.6","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C143 H199 N12 O4 Si4 -","- C143 H199 N12 O4 Si4 -","- C572 H796 N48 O16 Si16 -","4","1","","Yun Xiong; Shenglai Yao; Robert Müller; Martin Kaupp; Matthias Driess","Activation of Ammonia by a Si=O Double Bond and Formation of a Unique Pair of Sila-Hemiaminal and Silanoic Amide Tautomers","Journal of the American Chemical Society","2010","132","","6912","6913","10.1021/ja1031024","","","0.71073","MoKα","","0.1354","0.0589","","","0.1004","0.1182","","","","","","0.889","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102470","12.107","0.005","12.881","0.005","18.51","0.005","102.521","0.005","103.388","0.005","103.748","0.005","2612.4","1.6","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H20 Cl4 F20 N6 Ni2 O2 -","- C58 H20 Cl4 F20 N6 Ni2 O2 -","- C116 H40 Cl8 F40 N12 Ni4 O4 -","2","1","","Taro Koide; Ko Furukawa; Hiroshi Shinokubo; Jae-Yoon Shin; Kil Suk Kim; Dongho Kim; Atsuhiro Osuka","A Stable Non-Kekulé Singlet Biradicaloid from meso-Free 5,10,20,25-Tetrakis(Pentafluorophenyl)-Substituted [26]Hexaphyrin(1.1.1.1.1.1)","Journal of the American Chemical Society","2010","132","","7246","7247","10.1021/ja101040s","","","0.71069","MoKα","","0.1102","0.0695","","","0.1763","0.2034","","","","","","1.029","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102471","10.068","0.004","27.269","0.007","11.909","0.004","90","","113.082","0.013","90","","3007.8","1.8","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C62 H32 Cl8 F20 N6 O2 -","- C62 H32 Cl8 F20 N6 O2 -","- C124 H64 Cl16 F40 N12 O4 -","2","0.5","","Taro Koide; Ko Furukawa; Hiroshi Shinokubo; Jae-Yoon Shin; Kil Suk Kim; Dongho Kim; Atsuhiro Osuka","A Stable Non-Kekulé Singlet Biradicaloid from meso-Free 5,10,20,25-Tetrakis(Pentafluorophenyl)-Substituted [26]Hexaphyrin(1.1.1.1.1.1)","Journal of the American Chemical Society","2010","132","","7246","7247","10.1021/ja101040s","","","0.71075","MoKα","","0.1091","0.0778","","","0.2301","0.2555","","","","","","1.071","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102472","9.0488","0.0006","19.7697","0.0013","23.4059","0.0015","90","","94.775","0.002","90","","4172.6","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 I2 N O3 Si2 U -","- C35 H50 I2 N O3 Si2 U -","- C140 H200 I8 N4 O12 Si8 U4 -","4","1","","Jessie L. Brown; Guang Wu; Trevor W. Hayton","Oxo Ligand Silylation in a Uranyl β-Ketoiminate Complex","Journal of the American Chemical Society","2010","132","","7248","7249","10.1021/ja1013739","","","0.71073","MoKα","","0.0618","0.045","","","0.1064","0.1187","","","","","","1.119","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102473","15.8994","0.001","19.2681","0.0013","22.9828","0.0014","90","","90","","90","","7040.8","0.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68 H86 F6 N2 O12 S2 U -","- C68 H75 F6 N2 O12 S2 U -","- C272 H300 F24 N8 O48 S8 U4 -","4","1","","Jessie L. Brown; Guang Wu; Trevor W. Hayton","Oxo Ligand Silylation in a Uranyl β-Ketoiminate Complex","Journal of the American Chemical Society","2010","132","","7248","7249","10.1021/ja1013739","","","0.71073","MoKα","","0.0942","0.063","","","0.1458","0.1612","","","","","","0.983","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102474","7.781","0.002","9.048","0.003","10.23","0.003","111.583","0.004","101.318","0.004","101.33","0.004","627.5","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H22 B2 N Na O2 -","- C8 H22 B2 N Na O2 -","- C16 H44 B4 N2 Na2 O4 -","2","1","","Scott R. Daly; Brian J. Bellott; Do Young Kim; Gregory S. Girolami","Synthesis of the Long-Sought Unsubstituted Aminodiboranate Na(H3B-NH2-BH3) and Its N-Alkyl Analogs","Journal of the American Chemical Society","2010","132","","7254","7255","10.1021/ja1016427","","","0.71073","MoKα","","0.0905","0.0525","","","0.1489","0.1586","","","","","","0.962","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102475","8.2911","0.0003","9.9884","0.0004","10.8264","0.0004","91.984","0.002","97.495","0.002","114.189","0.002","807.02","0.05","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H14 B2 N Na O -","- C3 H14 B2 N Na O -","- C12 H56 B8 N4 Na4 O4 -","4","2","","Scott R. Daly; Brian J. Bellott; Do Young Kim; Gregory S. Girolami","Synthesis of the Long-Sought Unsubstituted Aminodiboranate Na(H3B-NH2-BH3) and Its N-Alkyl Analogs","Journal of the American Chemical Society","2010","132","","7254","7255","10.1021/ja1016427","","","0.71073","MoKα","","0.043","0.0319","","","0.0781","0.082","","","","","","1.007","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102476","9.9649","0.0004","21.9294","0.0008","11.2331","0.0004","90","","90.552","0.002","90","","2454.59","0.16","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 B2 Cl2 Er N O4 -","- C16 H40 B2 Cl2 Er N O4 -","- C64 H160 B8 Cl8 Er4 N4 O16 -","4","1","","Scott R. Daly; Brian J. Bellott; Do Young Kim; Gregory S. Girolami","Synthesis of the Long-Sought Unsubstituted Aminodiboranate Na(H3B-NH2-BH3) and Its N-Alkyl Analogs","Journal of the American Chemical Society","2010","132","","7254","7255","10.1021/ja1016427","","","0.71073","MoKα","","0.0303","0.0229","","","0.0525","0.0554","","","","","","1.073","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102477","7.9953","0.0012","8.958","0.0013","9.566","0.002","106.786","0.004","98.357","0.002","110.88","0.002","588.79","0.18","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H20 B2 N Na O2 -","- C6 H20 B2 N Na O2 -","- C12 H40 B4 N2 Na2 O4 -","2","1","","Scott R. Daly; Brian J. Bellott; Do Young Kim; Gregory S. Girolami","Synthesis of the Long-Sought Unsubstituted Aminodiboranate Na(H3B-NH2-BH3) and Its N-Alkyl Analogs","Journal of the American Chemical Society","2010","132","","7254","7255","10.1021/ja1016427","","","0.71073","MoKα","","0.0933","0.0547","","","0.1555","0.1751","","","","","","1.094","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102478","9.974","0.002","13.917","0.003","15.741","0.003","96.21","0.03","100.13","0.03","110.94","0.03","1973.8","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H90 N4 Na2 O14 -","- C86 H90 N4 Na2 O14 -","- C86 H90 N4 Na2 O14 -","1","0.5","","Qiang Zhang; Ming Cheng; Xiaoyu Hu; Bo-Gang Li; Jian-Xin Ji","Gold-Catalyzed Three-Component Tandem Process: An Efficient and Facile Assembly of Complex Butenolides from Alkynes, Amines, and Glyoxylic Acid","Journal of the American Chemical Society","2010","132","","7256","7257","10.1021/ja101804p","","","0.71073","MoKα","","0.0735","0.0418","","","0.1155","0.147","","","","","","1.165","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102479","15.1267","0.0009","20.0939","0.0013","7.4239","0.0005","90","","90","","90","","2256.5","0.2","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H34 Cl6 Cu N4 O3 -","- C12 H34 Cl6 Cu N4 O3 -","- C48 H136 Cl24 Cu4 N16 O12 -","4","1","","Wen Zhang; Heng-Yun Ye; Hong-Ling Cai; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Discovery of New Ferroelectrics: [H2dbco]2.[Cl3].[CuCl3(H2O)2].H2O (dbco = 1,4-Diaza-bicyclo[2.2.2]octane)","Journal of the American Chemical Society","2010","132","","7300","7302","10.1021/ja102573h","","","0.71073","MoKα","","0.0408","0.0363","","","0.0821","0.0962","","","","","","1.104","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102480","15.0638","0.0008","20.0568","0.0015","7.4158","0.0005","90","","90","","90","","2240.5","0.3","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H34 Cl6 Cu N4 O3 -","- C12 H34 Cl6 Cu N4 O3 -","- C48 H136 Cl24 Cu4 N16 O12 -","4","1","","Wen Zhang; Heng-Yun Ye; Hong-Ling Cai; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Discovery of New Ferroelectrics: [H2dbco]2.[Cl3].[CuCl3(H2O)2].H2O (dbco = 1,4-Diaza-bicyclo[2.2.2]octane)","Journal of the American Chemical Society","2010","132","","7300","7302","10.1021/ja102573h","","","0.71073","MoKα","","0.0322","0.0306","","","0.0836","0.0909","","","","","","1.144","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102481","15.209","0.006","7.457","0.003","20.158","0.008","90","","90","","90","","2286.2","1.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H34 Cl6 Cu N4 O3 -","- C12 H34 Cl6 Cu N4 O3 -","- C48 H136 Cl24 Cu4 N16 O12 -","4","0.5","","Wen Zhang; Heng-Yun Ye; Hong-Ling Cai; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Discovery of New Ferroelectrics: [H2dbco]2.[Cl3].[CuCl3(H2O)2].H2O (dbco = 1,4-Diaza-bicyclo[2.2.2]octane)","Journal of the American Chemical Society","2010","132","","7300","7302","10.1021/ja102573h","","","0.71073","MoKα","","0.0625","0.0554","","","0.1729","0.1839","","","","","","1.331","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102482","9.2753","0.0019","15.671","0.003","17.772","0.004","90","","90","","90","","2583.2","0.9","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 O8 -","- C32 H30 O8 -","- C128 H120 O32 -","4","1","","K. C. Nicolaou; Qiang Kang; T. Robert Wu; Chek Shik Lim; David Y.-K. Chen","Total Synthesis and Biological Evaluation of the Resveratrol-Derived Polyphenol Natural Products Hopeanol and Hopeahainol A","Journal of the American Chemical Society","2010","132","","7540","7548","10.1021/ja102623j","","","0.71073","MoKα","","0.0527","0.049","","","0.1226","0.1273","","","","","","1.092","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102483","10.659","0.002","11.461","0.002","12.651","0.003","110.36","0.03","104.81","0.03","97.4","0.03","1359.8","0.7","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H30 O9 -","- C34 H30 O9 -","- C68 H60 O18 -","2","1","","K. C. Nicolaou; Qiang Kang; T. Robert Wu; Chek Shik Lim; David Y.-K. Chen","Total Synthesis and Biological Evaluation of the Resveratrol-Derived Polyphenol Natural Products Hopeanol and Hopeahainol A","Journal of the American Chemical Society","2010","132","","7540","7548","10.1021/ja102623j","","","0.71073","MoKα","","0.0691","0.0626","","","0.1627","0.1713","","","","","","1.143","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102484","12.148","0.003","11.807","0.002","20.471","0.003","90","","90.269","0.015","90","","2936.2","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 N2 O -","- C34 H39 N2 O -","- C136 H156 N8 O4 -","4","1","","Daniel Mendoza-Espinosa; Bruno Donnadieu; Guy Bertrand","Synthesis of 4- and 4,5-Functionalized Imidazol-2-ylidenes from a Single 4,5-Unsubstituted Imidazol-2-ylidene","Journal of the American Chemical Society","2010","132","","7264","7265","10.1021/ja102639a","","","0.71073","MoKα","","0.085","0.0763","","","0.219","0.2273","","","","","","1.114","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102485","16.5148","0.0017","10.5459","0.0012","20.489","0.002","90","","107.355","0.003","90","","3406","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 N2 P -","- C39 H45 N2 P -","- C156 H180 N8 P4 -","4","1","","Daniel Mendoza-Espinosa; Bruno Donnadieu; Guy Bertrand","Synthesis of 4- and 4,5-Functionalized Imidazol-2-ylidenes from a Single 4,5-Unsubstituted Imidazol-2-ylidene","Journal of the American Chemical Society","2010","132","","7264","7265","10.1021/ja102639a","","","0.71073","MoKα","","0.0679","0.0437","","","0.0998","0.1148","","","","","","1.025","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102486","10.2949","0.0004","11.0431","0.0005","12.1455","0.0005","90.047","0.002","109.009","0.002","105.465","0.002","1252.39","0.09","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","2","","Shunsuke Chiba; Line Zhang; Jian-Yuan Lee","Copper-Catalyzed Synthesis of Azaspirocyclohexadienones from α-Azido-N-arylamides under an Oxygen Atmosphere","Journal of the American Chemical Society","2010","132","","7266","7267","10.1021/ja1027327","","","0.71073","MoKα","","0.0558","0.0427","","","0.1185","0.1366","","","","","","1.068","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102487","7.0717","0.0009","10.4575","0.0014","11.1343","0.0015","79.445","0.008","73.634","0.007","76.889","0.007","763.16","0.18","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C38 H28 N4 O4 -","2","1","","Shunsuke Chiba; Line Zhang; Jian-Yuan Lee","Copper-Catalyzed Synthesis of Azaspirocyclohexadienones from α-Azido-N-arylamides under an Oxygen Atmosphere","Journal of the American Chemical Society","2010","132","","7266","7267","10.1021/ja1027327","","","0.71073","MoKα","","0.0593","0.0453","","","0.128","0.143","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102488","14.4572","0.0006","8.1856","0.0003","24.7724","0.0012","90","","90","","90","","2931.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","1","","Shunsuke Chiba; Line Zhang; Jian-Yuan Lee","Copper-Catalyzed Synthesis of Azaspirocyclohexadienones from α-Azido-N-arylamides under an Oxygen Atmosphere","Journal of the American Chemical Society","2010","132","","7266","7267","10.1021/ja1027327","","","0.71073","MoKα","","0.1099","0.0579","","","0.1458","0.1852","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102489","9.7481","0.0002","17.0985","0.0003","17.9066","0.0003","90","","102.687","0.001","90","","2911.76","0.09","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C136 H144 N16 O8 -","8","4","","Shunsuke Chiba; Line Zhang; Jian-Yuan Lee","Copper-Catalyzed Synthesis of Azaspirocyclohexadienones from α-Azido-N-arylamides under an Oxygen Atmosphere","Journal of the American Chemical Society","2010","132","","7266","7267","10.1021/ja1027327","","","0.71073","MoKα","","0.0528","0.0411","","","0.1035","0.1178","","","","","","1.059","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102490","12.9595","0.0001","16.0569","0.0002","13.3906","0.0002","90","","92.764","0.001","90","","2783.2","0.06","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","4","","Shunsuke Chiba; Line Zhang; Jian-Yuan Lee","Copper-Catalyzed Synthesis of Azaspirocyclohexadienones from α-Azido-N-arylamides under an Oxygen Atmosphere","Journal of the American Chemical Society","2010","132","","7266","7267","10.1021/ja1027327","","","0.71073","MoKα","","0.0604","0.0413","","","0.1012","0.1248","","","","","","1.083","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102491","13.8529","0.0007","13.5891","0.0007","30.6143","0.0017","90","","90","","90","","5763.1","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H38 Cl F6 N5 P Pd -","- C25 H38 Cl F6 N5 P Pd -","- C200 H304 Cl8 F48 N40 P8 Pd8 -","8","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Stable Mononuclear Organometallic Pd(III) Complexes and Their C-C Bond Formation Reactivity","Journal of the American Chemical Society","2010","132","","7303","7305","10.1021/ja103001g","","","0.71073","MoKα","","0.0368","0.0266","","","0.0586","0.0639","","","","","","1.075","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102492","18.5827","0.0019","12.2413","0.0013","13.9679","0.0014","90","","101.714","0.003","90","","3111.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Cl2 N5 O4 Pd -","- C30 H40 Cl2 N5 O4 Pd -","- C120 H160 Cl8 N20 O16 Pd4 -","4","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Stable Mononuclear Organometallic Pd(III) Complexes and Their C-C Bond Formation Reactivity","Journal of the American Chemical Society","2010","132","","7303","7305","10.1021/ja103001g","","","0.71073","MoKα","","0.0384","0.0261","","","0.0567","0.0629","","","","","","1.032","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102493","13.8149","0.0012","13.4404","0.0011","29.924","0.003","90","","90","","90","","5556.2","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H41 Cl N5 O4 Pd -","- C26 H41 Cl N5 O4 Pd -","- C208 H328 Cl8 N40 O32 Pd8 -","8","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Stable Mononuclear Organometallic Pd(III) Complexes and Their C-C Bond Formation Reactivity","Journal of the American Chemical Society","2010","132","","7303","7305","10.1021/ja103001g","","","0.71073","MoKα","","0.0258","0.023","","","0.0535","0.0548","","","","","","1.081","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102494","18.504","0.005","15.432","0.005","18.133","0.005","90","0.005","98.356","0.005","90","0.005","5123","3","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 B3 N12 U -","- C18 H24 B3 N12 U -","- C144 H192 B24 N96 U8 -","8","1","","Jeffrey D. Rinehart; Katie R. Meihaus; Jeffrey R. Long","Observation of a Secondary Slow Relaxation Process for the Field-Induced Single-Molecule Magnet U(H2BPz2)3","Journal of the American Chemical Society","2010","132","","7572","7573","10.1021/ja1009019","","","0.71069","MoKα","","0.0602","0.0313","","","0.0557","0.0639","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102495","8.866","0.002","11.297","0.003","11.831","0.003","90","","90","","90","","1185","0.5","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 -","- C14 H18 N2 -","- C56 H72 N8 -","4","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0353","0.0328","","","0.0856","0.0875","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102496","8.2067","0.0003","7.3911","0.0004","18.6167","0.0007","90","","98.415","0.002","90","","1117.07","0.08","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 -","- C13 H16 N2 -","- C52 H64 N8 -","4","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0671","0.0448","","","0.117","0.1319","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102497","8.4037","0.0003","7.1986","0.0003","17.2511","0.0007","90","","100.69","0.003","90","","1025.49","0.07","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 -","- C12 H14 N2 -","- C48 H56 N8 -","4","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0704","0.0541","","","0.1525","0.1636","","","","","","1.089","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102498","8.2311","0.0008","7.3758","0.0007","15.2252","0.0015","90","","93.874","0.002","90","","922.22","0.15","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 -","- C11 H12 N2 -","- C44 H48 N8 -","4","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0848","0.0823","","","0.168","0.1693","","","","","","1.291","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102499","8.1086","0.0008","15.061","0.0014","8.6327","0.0008","90","","90","","90","","1054.26","0.17","103","2","103","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C12 H14 N2 -","- C12 H14 N2 -","- C48 H56 N8 -","4","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0721","0.0714","","","0.1769","0.1773","","","","","","1.253","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102500","11.5057","0.0005","8.482","0.0005","19.2656","0.0012","90","","90","","90","","1880.16","0.18","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H12 N2 -","- C11 H12 N2 -","- C88 H96 N16 -","8","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0738","0.043","","","0.1048","0.1225","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102501","5.5395","0.0002","8.7722","0.0005","8.7887","0.0005","90","","90.678","0.003","90","","427.04","0.04","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C20 H20 N4 -","2","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0538","0.0436","","","0.1104","0.117","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102502","16.649","0.003","14.441","0.002","20.354","0.003","90","","92.7","0.03","90","","4888.2","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N2 -","- C13 H18 N2 -","- C208 H288 N32 -","16","2","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0709","0.0491","","0.1328","0.1142","","","","1.051","1.063","1.063","","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102503","16.193","0.002","18.918","0.003","24.58","0.003","90","","90.428","0.002","90","","7529.6","1.8","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C40 H46 O2 S4 -","- C40 H46 O2 S4 -","- C320 H368 O16 S32 -","8","4","","Eric L. Dane; Sarah B. King; Timothy M. Swager","Conjugated Polymers That Respond to Oxidation with Increased Emission","Journal of the American Chemical Society","2010","132","","7758","7768","10.1021/ja1019063","","","0.71073","MoKα","","0.0998","0.0619","","","0.1413","0.1675","","","","","","1.018","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102504","10.2502","0.001","16.2024","0.0016","13.2468","0.0013","90","","106.117","0.002","90","","2113.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 O5 S4 -","- C44 H54 O5 S4 -","- C88 H108 O10 S8 -","2","0.5","","Eric L. Dane; Sarah B. King; Timothy M. Swager","Conjugated Polymers That Respond to Oxidation with Increased Emission","Journal of the American Chemical Society","2010","132","","7758","7768","10.1021/ja1019063","","","0.71073","MoKα","","0.0475","0.0391","","","0.1033","0.1107","","","","","","1.044","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102505","9.9066","0.0007","12.6542","0.0009","13.0668","0.0009","61.879","0.001","75.556","0.001","76.302","0.001","1385.32","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 I2 S4 -","- C24 H36 I2 S4 -","- C48 H72 I4 S8 -","2","1","","Eric L. Dane; Sarah B. King; Timothy M. Swager","Conjugated Polymers That Respond to Oxidation with Increased Emission","Journal of the American Chemical Society","2010","132","","7758","7768","10.1021/ja1019063","","","0.71073","MoKα","","0.0239","0.0211","","","0.0511","0.0526","","","","","","1.038","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102506","10.8588","0.0005","13.3188","0.0006","16.0558","0.0007","90","","97.524","0.001","90","","2302.1","0.18","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","ToMZnCl","tris(4,4-dimethyl-2-oxazolinyl)phenylborato chlorozinc","","- C21 H29 B Cl N3 O3 Zn -","- C21 H29 B Cl N3 O3 Zn -","- C84 H116 B4 Cl4 N12 O12 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl","Journal of the American Chemical Society","2010","132","","7582","7583","10.1021/ja102323g","","","0.71073","MoKα","","0.0291","0.0244","","","0.0672","0.0694","","","","","","1.052","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102507","9.9164","0.0007","15.0927","0.001","24.2345","0.0016","97.893","0.001","98.38","0.001","106.934","0.001","3370.3","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","ToMZnN(SiHMe2)2","tris(4,4-dimethyl-2-oxazolinyl)phenylborato tetramethyldisilazato zinc","","- C28.5 H47 B N4 O3 Si2 Zn -","- C28.5 H47 B N4 O3 Si2 Zn -","- C114 H188 B4 N16 O12 Si8 Zn4 -","4","2","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl","Journal of the American Chemical Society","2010","132","","7582","7583","10.1021/ja102323g","","","0.71073","MoKα","","0.0671","0.0431","","","0.105","0.1161","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102508","10.6937","0.0005","13.4024","0.0006","15.9975","0.0008","90","","99.784","0.001","90","","2259.43","0.18","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ToMZnH","tris(4,4-dimethyl-2-oxazolinyl)phenylborato hydridozinc","","- C21 H30 B N3 O3 Zn -","- C21 H30 B N3 O3 Zn -","- C84 H120 B4 N12 O12 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl","Journal of the American Chemical Society","2010","132","","7582","7583","10.1021/ja102323g","","","0.71073","MoKα","","0.0329","0.0264","","","0.0688","0.0722","","","","","","1.024","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102509","8.9377","0.0005","11.6073","0.0007","13.8143","0.0009","96.095","0.001","108.524","0.001","91.233","0.001","1348.88","0.14","153","2","153","2","","","","","","","","6","P -1","-P 1","2","ToMZnOtBu","tris(4,4-dimethyl-2-oxazolinyl)phenylborato t-butoxido zinc","","- C25 H38 B N3 O4 Zn -","- C25 H38 B N3 O4 Zn -","- C50 H76 B2 N6 O8 Zn2 -","2","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl","Journal of the American Chemical Society","2010","132","","7582","7583","10.1021/ja102323g","","","0.71073","MoKα","","0.0452","0.0341","","","0.0785","0.0833","","","","","","1.024","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102510","13.135","0.003","16.024","0.004","22.34","0.006","90","","98.613","0.004","90","","4649","2","153","2","153","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","[THF2Li][ToMZn(Cl)N(SiHMe2)2]","bis(tetrahydrofuran)lithium tris(4,4-dimethyl-2-oxazolinyl)phenylborato chloro tetramethyldisilazato Zinc","","- C37 H67 B Cl Li N4 O6 Si2 Zn -","- C37 H67 B Cl Li N4 O6 Si2 Zn -","- C148 H268 B4 Cl4 Li4 N16 O24 Si8 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl","Journal of the American Chemical Society","2010","132","","7582","7583","10.1021/ja102323g","","","0.71073","MoKα","","0.0897","0.0522","","","0.1178","0.1362","","","","","","1.016","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102511","21.8574","0.0009","14.4461","0.0006","15.6143","0.0006","90","","90","","90","","4930.3","0.3","153","2","153","2","","","","","","","","8","P n a 21","P 2c -2n","33","[NBu4][ToMZn(Cl)N(SiHMe2)2]","[NBu4]chloro tris(4,4-Me-2-oxazolinyl)phenylborato tetramethyldisilazato zinc","","- C41 H79 B Cl N5 O3 Si2 Zn -","- C41 H79 B Cl N5 O3 Si2 Zn -","- C164 H316 B4 Cl4 N20 O12 Si8 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl","Journal of the American Chemical Society","2010","132","","7582","7583","10.1021/ja102323g","","","0.71073","MoKα","","0.0461","0.033","","","0.0705","0.0754","","","","","","1.028","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102512","9.8932","0.0018","10.985","0.002","15.147","0.003","76.651","0.003","75.037","0.003","81.611","0.003","1540.8","0.5","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H43 B N4 O3 Si2 Zn -","- C25 H43 B N4 O3 Si2 Zn -","- C50 H86 B2 N8 O6 Si4 Zn2 -","2","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl","Journal of the American Chemical Society","2010","132","","7582","7583","10.1021/ja102323g","","","0.71073","MoKα","","0.0928","0.0638","","","0.1439","0.1565","","","","","","1.065","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102513","37.6605","0.0008","12.54627","0.00017","25.9227","0.0005","90","","120.282","0.003","90","","10577.2","0.5","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[(μ-but-2-yn-1,4-diylidyne)bis(di{1,2-bis(diphenylphosphino)ethane} ({4-trimethylsilyl}buta-1,3-diynyl)tungsten)]","","- C122 H114 P8 Si2 W2 -","- C122 H114 P8 Si2 W2 -","- C488 H456 P32 Si8 W8 -","4","0.5","","Sergey N. Semenov; Shiva F. Taghipourian; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","An Iron-Capped Metal-Organic Polyyne: {[Fe](C\τbC)2[W]\τbCC\τbCC\τb[W](C\τbC)2[Fe]}","Journal of the American Chemical Society","2010","132","","7584","7585","10.1021/ja102570f","","","0.71073","MoKα","","0.0394","0.0262","","","0.0518","0.0531","","","","","","0.914","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102514","36.6258","0.0011","13.1143","0.0004","20.2917","0.0005","90","","103.53","0.003","90","","9476.1","0.5","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[(μ-but-2-yn-1,4-diylidyne)bis(di{1,2-bis(diphenylphosphino)ethane} (buta-1,3-diynyl)tungsten)]","","- C116 H98 P8 W2 -","- C116 H98 P8 W2 -","- C464 H392 P32 W8 -","4","0.5","","Sergey N. Semenov; Shiva F. Taghipourian; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","An Iron-Capped Metal-Organic Polyyne: {[Fe](C\τbC)2[W]\τbCC\τbCC\τb[W](C\τbC)2[Fe]}","Journal of the American Chemical Society","2010","132","","7584","7585","10.1021/ja102570f","","","0.71073","MoKα","","0.0896","0.0376","","","0.0446","0.0494","","","","","","0.752","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102515","46.1875","0.0007","19.2094","0.0003","17.58","0.0003","90","","93.679","0.001","90","","15565.4","0.4","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[bis(μ-buta-1,3-diynyl)(μ-but-2-yn-1,4-diylidyne)bis (di{1,2-bis(diphenylphosphino)ethane}tungsten)bis (di{1,2-bis(diethylphosphino)ethane}chloroiron)]","","- C158 H196 Cl6 Fe2 P16 W2 -","- C158.01 H196.02 Cl6.02 Fe2 P16 W2 -","- C632.04 H784.08 Cl24.08 Fe8 P64 W8 -","4","0.5","","Sergey N. Semenov; Shiva F. Taghipourian; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke","An Iron-Capped Metal-Organic Polyyne: {[Fe](C\τbC)2[W]\τbCC\τbCC\τb[W](C\τbC)2[Fe]}","Journal of the American Chemical Society","2010","132","","7584","7585","10.1021/ja102570f","","","0.71073","MoKα","","0.0598","0.0379","","","0.0951","0.0997","","","","","","0.968","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102516","5.5909","0.0005","17.6944","0.0017","19.0577","0.0018","90","","90","","90","","1885.3","0.3","173","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18.5 N O3 Pt S -","- C21 H18.5 N O3 Pt S -","- C84 H74 N4 O12 Pt4 S4 -","4","1","","Peter D. Frischmann; Samuel Guieu; Raymond Tabeshi; Mark J. MacLachlan","Columnar Organization of Head-to-Tail Self-Assembled Pt4 Rings","Journal of the American Chemical Society","2010","132","","7668","7675","10.1021/ja910886g","","","0.71073","MoKα","","0.0564","0.0441","","","0.1059","0.1146","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102517","12.5982","0.0008","16.8143","0.0013","18.3347","0.0016","89.132","0.004","84.653","0.004","77.708","0.004","3778.2","0.5","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 B Mo N8 O S2 -","- C28 H33 B Mo N8 O S2 -","- C112 H132 B4 Mo4 N32 O4 S8 -","4","2","","Kelly G. Matz; Regina P. Mtei; Belinda Leung; Sharon J. Nieter Burgmayer; Martin L. Kirk","Noninnocent Dithiolene Ligands: A New Oxomolybdenum Complex Possessing a Donor-Acceptor Dithiolene Ligand","Journal of the American Chemical Society","2010","132","","7830","7831","10.1021/ja100220x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102518","28.618","0.011","8.227","0.003","14.935","0.006","90","","113.601","0.008","90","","3222","2","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C160 H176 N16 -","8","1","","Atsuya Muranaka; Mitsuhiro Yonehara; Masanobu Uchiyama","Azulenocyanine: A New Family of Phthalocyanines with Intense Near-IR Absorption","Journal of the American Chemical Society","2010","132","","7844","7845","10.1021/ja101818g","","","0.71073","MoKα","","0.0719","0.0531","","","0.1336","0.1451","","","","","","1.089","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102519","10.0634","0.0002","16.7202","0.0003","15.7994","0.0003","90","","91.718","0.001","90","","2657.24","0.09","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H36 Cl2 Cu N5 O8 -","- C17 H36 Cl2 Cu N5 O8 -","- C68 H144 Cl8 Cu4 N20 O32 -","4","1","","Moushumi Sarma; Apurba Kalita; Pankaj Kumar; Amardeep Singh; Biplab Mondal","Reduction of Copper(II) Complexes of Tripodal Ligands by Nitric Oxide and Trinitrosation of the Ligands","Journal of the American Chemical Society","2010","132","","7846","7847","10.1021/ja102279c","","","0.71073","MoKα","","0.0725","0.0532","","","0.1755","0.187","","","","","","1.089","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102520","11.6744","0.0003","18.4324","0.0004","10.8887","0.0002","90","","90","","90","","2343.11","0.09","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H34 Cl N7 O7 -","- C15 H34 Cl N7 O7 -","- C60 H136 Cl4 N28 O28 -","4","1","","Moushumi Sarma; Apurba Kalita; Pankaj Kumar; Amardeep Singh; Biplab Mondal","Reduction of Copper(II) Complexes of Tripodal Ligands by Nitric Oxide and Trinitrosation of the Ligands","Journal of the American Chemical Society","2010","132","","7846","7847","10.1021/ja102279c","","","0.71073","MoKα","","0.0692","0.0537","","","0.1545","0.1687","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102521","7.30154","0.00013","8.94536","0.00016","12.5868","0.0002","75.579","0.001","88.793","0.001","84.44","0.001","792.45","0.02","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","4-Acetoxy-5,5-dimethylcyclopenta-1,3-diene-1,2,3-tricarboxylic acid trimethyl ester","","- C15 H18 O8 -","- C15 H18 O8 -","- C30 H36 O16 -","2","1","","Yu Shibata; Keiichi Noguchi; Ken Tanaka","Cationic Rhodium(I) Complex-Catalyzed [3 + 2] and [2 + 1] Cycloadditions of Propargyl Esters with Electron-Deficient Alkynes and Alkenes","Journal of the American Chemical Society","2010","132","","7896","7898","10.1021/ja102418h","","","1.54187","CuKα","","0.0369","0.0335","","","0.0913","0.0945","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102522","15.6993","0.0004","6.8584","0.0002","28.0209","0.0008","90","","90","","90","","3017.07","0.15","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-(1-Acetoxy-2-methylpropenyl)-2-dimethylcarbamoylcyclopropanecarboxylic acid methyl ester","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C112 H168 N8 O40 -","8","2","","Yu Shibata; Keiichi Noguchi; Ken Tanaka","Cationic Rhodium(I) Complex-Catalyzed [3 + 2] and [2 + 1] Cycloadditions of Propargyl Esters with Electron-Deficient Alkynes and Alkenes","Journal of the American Chemical Society","2010","132","","7896","7898","10.1021/ja102418h","","","1.54187","CuKα","","0.1776","0.1264","","","0.278","0.32","","","","","","1.006","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102523","13.331","0.004","13.03","0.004","22.476","0.007","90","","105.846","0.003","90","","3756","2","173","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C192 H152 N8 O8 -","8","2","","Itaru Nakamura; Dong Zhang; Masahiro Terada","Copper-Catalyzed Tandem [2,3]-Rearrangement and 6π-3-Azatriene Electrocyclization in (E)-O-Propargylic α,β-Unsaturated Oximes","Journal of the American Chemical Society","2010","132","","7884","7886","10.1021/ja102436z","","","0.7107","MoKα","","","0.0393","","","","0.0857","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102524","6.4942","0.0002","7.334","0.0002","15.1138","0.0004","90","","94.397","0.003","90","","717.73","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","1","","Sara Graus; Rosa M. Tejedor; Santiago Uriel; José Luis Serrano; Ibon Alkorta; José Elguero","Crystallization of an Achiral Cyclohexanone Ethylene Ketal in Enantiomorphs and Determination of the Absolute Structure","Journal of the American Chemical Society","2010","132","","7862","7863","10.1021/ja1025062","","","0.71073","MoKα","","0.065","0.0359","","","0.0631","0.0683","","","","","","0.86","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102525","9.586","0.0006","16.484","0.0007","21.679","0.001","90","","95.596","0.004","90","","3409.3","0.3","110","","110","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H62 N2 P2 Ru -","- C34 H62 N2 P2 Ru -","- C136 H248 N8 P8 Ru4 -","4","1","","Rebeca Reguillo; Mary Grellier; Nicolas Vautravers; Laure Vendier; Sylviane Sabo-Etienne","Ruthenium-Catalyzed Hydrogenation of Nitriles: Insights into the Mechanism","Journal of the American Chemical Society","2010","132","","7854","7855","10.1021/ja102759z","","","0.71073","MoKα","","0.0385","0.0357","","","0.0734","0.0748","","","","","","1.096","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102526","9.7949","0.0005","20.8165","0.0011","19.1507","0.001","90","","91.271","0.002","90","","3903.8","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 N2 P2 Ru -","- C44 H66 N2 P2 Ru -","- C176 H264 N8 P8 Ru4 -","4","1","","Rebeca Reguillo; Mary Grellier; Nicolas Vautravers; Laure Vendier; Sylviane Sabo-Etienne","Ruthenium-Catalyzed Hydrogenation of Nitriles: Insights into the Mechanism","Journal of the American Chemical Society","2010","132","","7854","7855","10.1021/ja102759z","","","0.71073","MoKα","","0.0797","0.0608","","","0.1328","0.1392","","","","","","1.155","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102527","13.835","0.0007","16.048","0.0008","15.987","0.0009","90","","107.519","0.003","90","","3384.9","0.3","110","2","110","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C37 H60 N P2 Ru -","- C37 H60 N P2 Ru -","- C148 H240 N4 P8 Ru4 -","4","2","","Rebeca Reguillo; Mary Grellier; Nicolas Vautravers; Laure Vendier; Sylviane Sabo-Etienne","Ruthenium-Catalyzed Hydrogenation of Nitriles: Insights into the Mechanism","Journal of the American Chemical Society","2010","132","","7854","7855","10.1021/ja102759z","","","0.71073","MoKα","","0.054","0.0429","","","0.094","0.1","","","","","","1.055","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102528","25.163","0.0019","48.087","0.003","34.425","0.002","90","","106.451","0.004","90","","39949","5","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C177 H159 Cl15 N34 O44 -","- C177 H159 Cl15 N34 O44.5 -","- C1416 H1272 Cl120 N272 O356 -","8","2","","Yann Ferrand; Amol M. Kendhale; Brice Kauffmann; Axelle Grélard; Cécile Marie; Virginie Blot; Muriel Pipelier; Didier Dubreuil; Ivan Huc","Diastereoselective Encapsulation of Tartaric Acid by a Helical Aromatic Oligoamide","Journal of the American Chemical Society","2010","132","","7858","7859","10.1021/ja102794a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102529","16.0418","0.0015","5.51815","0.00062","7.86214","0.00077","90","","93.9617","0.0095","90","","694.3","0.12","298","2","298","2","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","","4,4'-bis(1H-pyrazol-4-yl)biphenyl","","- C18 H14 N4 -","- C18 H14 N4 -","- C36 H28 N8 -","2","0.5","","Norberto Masciocchi; Simona Galli; Valentina Colombo; Angelo Maspero; Giovanni Palmisano; Behnam Seyyedi; Carlo Lamberti; Silvia Bordiga","Cubic Octanuclear Ni(II) Clusters in Highly Porous Polypyrazolyl-Based Materials","Journal of the American Chemical Society","2010","132","","7902","7904","10.1021/ja102862j","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102530","5.25025","0.0004","5.36079","0.00033","24.3757","0.0016","90","","90.4795","0.0035","90","","686.04","0.08","298","2","298","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","2,6-bis(1H-pyrazol-4-yl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H, 6H)-tetrone","","- C16 H8 N6 O4 -","- C16 H8 N6 O4 -","- C32 H16 N12 O8 -","2","0.5","","Norberto Masciocchi; Simona Galli; Valentina Colombo; Angelo Maspero; Giovanni Palmisano; Behnam Seyyedi; Carlo Lamberti; Silvia Bordiga","Cubic Octanuclear Ni(II) Clusters in Highly Porous Polypyrazolyl-Based Materials","Journal of the American Chemical Society","2010","132","","7902","7904","10.1021/ja102862j","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102531","31.3584","0.003","31.3584","0.003","31.3584","0.003","90","","90","","90","","30836","5","298","2","298","2","","","","","","","synthesis","5","F m -3 m","-F 4 2 3","225","","","","- C108 H80 N24 Ni8 O6 -","- C108 H78 N24 Ni8 O6 -","- C432 H312 N96 Ni32 O24 -","4","0.0208333","","Norberto Masciocchi; Simona Galli; Valentina Colombo; Angelo Maspero; Giovanni Palmisano; Behnam Seyyedi; Carlo Lamberti; Silvia Bordiga","Cubic Octanuclear Ni(II) Clusters in Highly Porous Polypyrazolyl-Based Materials","Journal of the American Chemical Society","2010","132","","7902","7904","10.1021/ja102862j","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102532","30.5846","0.0022","30.5846","0.0022","30.5846","0.0022","90","","90","","90","","28609","4","298","2","298","2","","","","","","","synthesis","5","F m -3 m","-F 4 2 3","225","","","","- C96 H56 N36 Ni8 O36 -","- C96 H54 N36 Ni8 O36 -","- C384 H216 N144 Ni32 O144 -","4","0.0208333","","Norberto Masciocchi; Simona Galli; Valentina Colombo; Angelo Maspero; Giovanni Palmisano; Behnam Seyyedi; Carlo Lamberti; Silvia Bordiga","Cubic Octanuclear Ni(II) Clusters in Highly Porous Polypyrazolyl-Based Materials","Journal of the American Chemical Society","2010","132","","7902","7904","10.1021/ja102862j","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102533","6.31493","0.00075","3.6201","0.0012","18.4226","0.0027","94.855","0.028","109.926","0.0093","89.246","0.032","394.46","0.15","298","2","298","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C16 H8 Cl2 N6 Ni O4 -","- C16 H8 Cl2 N6 Ni O4 -","- C16 H8 Cl2 N6 Ni O4 -","1","0.5","","Norberto Masciocchi; Simona Galli; Valentina Colombo; Angelo Maspero; Giovanni Palmisano; Behnam Seyyedi; Carlo Lamberti; Silvia Bordiga","Cubic Octanuclear Ni(II) Clusters in Highly Porous Polypyrazolyl-Based Materials","Journal of the American Chemical Society","2010","132","","7902","7904","10.1021/ja102862j","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102534","9.6908","0.0019","9.49","0.0019","16.734","0.003","90","","91.27","0.03","90","","1538.6","0.5","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H28 O3 -","- C17 H28 O3 -","- C68 H112 O12 -","4","1","","K. C. Nicolaou; Qiang Kang; Sin Yee Ng; David Y.-K. Chen","Total Synthesis of Englerin A","Journal of the American Chemical Society","2010","132","","8219","8222","10.1021/ja102927n","","","0.71073","MoKα","","0.0778","0.0662","","","0.1571","0.1692","","","","","","1.147","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102535","16.9004","0.0018","20.028","0.002","30.412","0.003","108.507","0.001","91.274","0.001","90.732","0.001","9757","1.7","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H166 N39 O76 Pd6 -","- C136 H166 N38.915 O76.166 Pd6 -","- C272 H332 N77.83 O152.332 Pd12 -","2","1","","Takashi Murase; Kosuke Otsuka; Makoto Fujita","Pairwise Selective Formation of Aromatic Stacks in a Coordination Cage","Journal of the American Chemical Society","2010","132","","7864","7865","10.1021/ja103109z","","","0.71073","MoKα","","0.1035","0.077","","","0.2199","0.252","","","","","","1.03","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102536","16.5029","0.0004","20.8999","0.0005","30.0805","0.0007","90","","90","","90","","10375","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44.61 H68.61 Cl1.83 N4 O7 -","- C44.61 H68.61 Cl1.83 N4 O7 -","- C356.88 H548.88 Cl14.64 N32 O56 -","8","2","","Li Guo; Aaron M. Almeida; Weicheng Zhang; Andrew G. Reidenbach; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman","Helix Formation in Preorganized β/γ-Peptide Foldamers: Hydrogen-Bond Analogy to the α-Helix without α-Amino Acid Residues","Journal of the American Chemical Society","2010","132","","7868","7869","10.1021/ja103233a","","","1.54178","Cu-Kα","","0.063","0.0511","","","0.1353","0.1436","","","","","","0.978","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102537","10.9331","0.0002","18.5573","0.0003","24.7143","0.0004","90","","90","","90","","5014.26","0.15","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H76 Br N5 O8 -","- C50 H76 Br N5 O8 -","- C200 H304 Br4 N20 O32 -","4","1","","Li Guo; Aaron M. Almeida; Weicheng Zhang; Andrew G. Reidenbach; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman","Helix Formation in Preorganized β/γ-Peptide Foldamers: Hydrogen-Bond Analogy to the α-Helix without α-Amino Acid Residues","Journal of the American Chemical Society","2010","132","","7868","7869","10.1021/ja103233a","","","1.54178","CuKα","","0.0915","0.0576","","","0.1434","0.1695","","","","","","0.951","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102538","17.741","0.002","26.137","0.003","13.6513","0.0017","90","","89.915","0.003","90","","6330.1","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H84 Ga2 N4 -","- C76 H84 Ga2 N4 -","- C304 H336 Ga8 N16 -","4","1","","Igor L. Fedushkin; Alexander S. Nikipelov; Konstantin A. Lyssenko","Reversible Addition of Alkynes to Gallium Complex of Chelating Diamide Ligand","Journal of the American Chemical Society","2010","132","","7874","7875","10.1021/ja103467a","","","0.71073","MoKα","","0.0898","0.0465","","","0.0908","0.1059","","","","","","1.006","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102539","17.3786","0.0019","26.579","0.003","17.903","0.002","90","","108.121","0.002","90","","7859.3","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C92.3 H102.75 Ga2 N4 O2.15 -","- C92.3 H102.75 Ga2 N4 O2.15 -","- C369.2 H411 Ga8 N16 O8.6 -","4","1","","Igor L. Fedushkin; Alexander S. Nikipelov; Konstantin A. Lyssenko","Reversible Addition of Alkynes to Gallium Complex of Chelating Diamide Ligand","Journal of the American Chemical Society","2010","132","","7874","7875","10.1021/ja103467a","","","0.71073","MoKα","","0.0593","0.0388","","","0.089","0.0987","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102540","29.176","0.004","12.985","0.002","39.497","0.006","90","","100.678","0.003","90","","14704","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H98 Ga2 N4 O4 -","- C88 H98 Ga2 N4 O4 -","- C704 H784 Ga16 N32 O32 -","8","1","","Igor L. Fedushkin; Alexander S. Nikipelov; Konstantin A. Lyssenko","Reversible Addition of Alkynes to Gallium Complex of Chelating Diamide Ligand","Journal of the American Chemical Society","2010","132","","7874","7875","10.1021/ja103467a","","","0.71073","MoKα","","0.1475","0.0616","","","0.1061","0.1355","","","","","","0.956","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102541","15.546","0.006","15.791","0.006","21.274","0.008","70.086","0.007","76.781","0.008","61.731","0.006","4310","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H114 Ga2 N4 O4 -","- C102 H114 Ga2 N4 O4 -","- C204 H228 Ga4 N8 O8 -","2","1","","Igor L. Fedushkin; Alexander S. Nikipelov; Konstantin A. Lyssenko","Reversible Addition of Alkynes to Gallium Complex of Chelating Diamide Ligand","Journal of the American Chemical Society","2010","132","","7874","7875","10.1021/ja103467a","","","0.71073","MoKα","","0.2192","0.0883","","","0.1518","0.2026","","","","","","0.993","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102542","7.473","0.003","12.669","0.005","14.171","0.005","90","","100.228","0.016","90","","1320.3","0.9","123.1","","123.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H20 Cl2 F8 Ir2 -","- C28 H20 Cl2 F8 Ir2 -","- C56 H40 Cl4 F16 Ir4 -","2","1","","Takahiro Nishimura; Yuichi Yasuhara; Takahiro Sawano; Tamio Hayashi","Iridium/Chiral Diene-Catalyzed Asymmetric 1,6-Addition of Arylboroxines to α,β,γ,δ-Unsaturated Carbonyl Compounds","Journal of the American Chemical Society","2010","132","","7872","7873","10.1021/ja1034842","","","0.71075","MoKα","","","0.0236","","","","0.0507","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102543","14.37","0.0008","16.818","0.001","18.917","0.0011","90","","90","","90","","4571.8","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","JK_011","","","- C21 H36 Cl2 Ir N2 P -","- C21 H36 Cl2 Ir N2 P -","- C168 H288 Cl16 Ir8 N16 P8 -","8","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71073","MoKα","","0.0216","0.0194","","","0.0466","0.0478","","","","","","1.038","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102544","14.682","0.0012","9.297","0.0007","31.39","0.003","90","","94.991","0.001","90","","4268.4","0.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","JK_009","","","- C19 H32 Cl2 Ir N2 P -","- C19 H32 Cl2 Ir N2 P -","- C152 H256 Cl16 Ir8 N16 P8 -","8","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71069","MoKα","","0.0229","0.0206","","","0.0474","0.0483","","","","","","1.05","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102545","8.508","0.0009","16.9056","0.0017","19.041","0.002","90","","96.289","0.002","90","","2722.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Cl4 Ir N2 P -","- C26 H30 Cl4 Ir N2 P -","- C104 H120 Cl16 Ir4 N8 P4 -","4","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71073","MoKα","","0.0257","0.0221","","","0.0515","0.054","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102546","19.69","0.003","8.3304","0.0012","17.34","0.003","90","","99.315","0.002","90","","2806.7","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 Cl2 Ir N2 P -","- C25 H44 Cl2 Ir N2 P -","- C100 H176 Cl8 Ir4 N8 P4 -","4","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71073","MoKα","","0.0681","0.0377","","","0.0694","0.0756","","","","","","1.05","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102547","8.0066","0.0013","26.544","0.005","10.5213","0.0018","90","","110.995","0.002","90","","2087.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 Cl Ir N2 P -","- C19 H33 Cl Ir N2 P -","- C76 H132 Cl4 Ir4 N8 P4 -","4","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71073","MoKα","","0.0333","0.0312","","","0.0883","0.0904","","","","","","1.132","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102548","8.784","0.0007","16.0209","0.0013","9.8555","0.0008","90","","103.218","0.001","90","","1350.2","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H45 Cl Ir N2 P -","- C25 H45 Cl1.01 Ir N2 P -","- C50 H90 Cl2.02 Ir2 N4 P2 -","2","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71073","MoKα","","0.0259","0.0241","","","0.0479","0.0484","","","","","","1.072","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102549","15.407","0.0016","12.52","0.0013","23.931","0.002","90","","104.693","0.002","90","","4465.2","0.8","208","2","208","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","JK_00K","","","- C43 H32 B Cl F20 Ir N2 P -","- C43 H32 B Cl F20 Ir N2 P -","- C172 H128 B4 Cl4 F80 Ir4 N8 P4 -","4","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71073","MoKα","","0.0389","0.0309","","","0.0761","0.0794","","","","","","1.056","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102550","7.8947","0.0002","29.6787","0.0007","8.5746","0.0002","90","","105.441","0.001","90","","1936.55","0.08","210","2","210","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Cl O P Pd -","- C16 H34 Cl O P Pd -","- C64 H136 Cl4 O4 P4 Pd4 -","4","1","","Delphine Gauthier; Anders T. Lindhardt; Esben P. K. Olsen; Jacob Overgaard; Troels Skrydstrup","In Situ Generated Bulky Palladium Hydride Complexes as Catalysts for the Efficient Isomerization of Olefins. Selective Transformation of Terminal Alkenes to 2-Alkenes","Journal of the American Chemical Society","2010","132","","7998","8009","10.1021/ja9108424","","x-ray","0.71073","MoKα","","0.0455","0.0308","","","0.0704","0.076","","","","","","1.026","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102551","17.7592","0.0003","19.4726","0.0002","18.2732","0.0002","90","","90","","90","","6319.2","0.14","160","1","160","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H21 B11 Cl6 F4 Si -","- C21 H21 B11 Cl6 F4 Si -","- C168 H168 B88 Cl48 F32 Si8 -","8","1","","Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Intramolecular Halogen Stabilization of Silylium Ions Directs Gearing Dynamics","Journal of the American Chemical Society","2010","132","","7828","7829","10.1021/ja9109665","","","0.71073","MoKα","","0.0545","0.0357","","","0.0812","0.0913","","","","","","1.038","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102552","15.9428","0.0004","17.3376","0.0003","19.1253","0.0003","76.719","0.0013","76.937","0.0011","79.5644","0.0012","4965.13","0.17","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C102 H62.71 B2 F48 O2 Si2 -","- C99 H55.71 B2 F48 O2 Si2 -","- C198 H111.42 B4 F96 O4 Si4 -","2","1","","Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Intramolecular Halogen Stabilization of Silylium Ions Directs Gearing Dynamics","Journal of the American Chemical Society","2010","132","","7828","7829","10.1021/ja9109665","","","0.71073","MoKα","","0.0646","0.0441","","","0.1137","0.1235","","","","","","1.046","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102553","11.3614","0.0003","14.0989","0.0003","29.8844","0.0006","92.823","0.001","95.642","0.002","107.824","0.002","4519.2","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H137 Cl Mo N10 O2 -","- C92 H137 Cl Mo N10 O2 -","- C184 H274 Cl2 Mo2 N20 O4 -","2","1","","Michael R. Reithofer; Richard R. Schrock; Peter Müller","Synthesis of [(DPPNCH2CH2)3N]3- Molybdenum Complexes (DPP = 3,5-(2,5-Diisopropylpyrrolyl)2C6H3) and Studies Relevant to Catalytic Reduction of Dinitrogen","Journal of the American Chemical Society","2010","132","","8349","8358","10.1021/ja1008213","","","1.54178","CuKα","","0.0507","0.0454","","","0.1088","0.1114","","","","","","1.183","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102554","12.746","0.0002","18.0416","0.0003","27.6442","0.0004","92.626","0.001","100.951","0.001","106.505","0.001","5950.36","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C130 H183 Mo N13 -","- C130 H183 Mo N13 -","- C260 H366 Mo2 N26 -","2","1","","Michael R. Reithofer; Richard R. Schrock; Peter Müller","Synthesis of [(DPPNCH2CH2)3N]3- Molybdenum Complexes (DPP = 3,5-(2,5-Diisopropylpyrrolyl)2C6H3) and Studies Relevant to Catalytic Reduction of Dinitrogen","Journal of the American Chemical Society","2010","132","","8349","8358","10.1021/ja1008213","","","1.54178","CuKα","","0.0545","0.0497","","","0.1317","0.1358","","","","","","1.075","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102555","30.239","0.004","23.407","0.003","27.664","0.003","90","","116.633","0.002","90","","17503","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H126 Mo N11 -","- C93 H126 Mo N11 -","- C744 H1008 Mo8 N88 -","8","2","","Michael R. Reithofer; Richard R. Schrock; Peter Müller","Synthesis of [(DPPNCH2CH2)3N]3- Molybdenum Complexes (DPP = 3,5-(2,5-Diisopropylpyrrolyl)2C6H3) and Studies Relevant to Catalytic Reduction of Dinitrogen","Journal of the American Chemical Society","2010","132","","8349","8358","10.1021/ja1008213","","","0.71073","MoKα","","0.103","0.053","","","0.1193","0.1497","","","","","","1.025","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102556","14.9816","0.0003","20.9091","0.0004","43.6033","0.0009","89.795","0.001","89.692","0.001","70.328","0.001","12861.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H148 B F24 Mo N11 -","- C134 H148 B F24 Mo N11 -","- C536 H592 B4 F96 Mo4 N44 -","4","2","","Michael R. Reithofer; Richard R. Schrock; Peter Müller","Synthesis of [(DPPNCH2CH2)3N]3- Molybdenum Complexes (DPP = 3,5-(2,5-Diisopropylpyrrolyl)2C6H3) and Studies Relevant to Catalytic Reduction of Dinitrogen","Journal of the American Chemical Society","2010","132","","8349","8358","10.1021/ja1008213","","","1.54178","CuKα","","0.055","0.0486","","","0.1215","0.1258","","","","","","1.049","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102557","14.5735","0.0003","30.3139","0.0006","31.0683","0.0006","90","","102.451","0.001","90","","13402.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C134.5 H167 B F24 Mo N12 -","- C134.5 H167 B F24 Mo N12 -","- C538 H668 B4 F96 Mo4 N48 -","4","1","","Michael R. Reithofer; Richard R. Schrock; Peter Müller","Synthesis of [(DPPNCH2CH2)3N]3- Molybdenum Complexes (DPP = 3,5-(2,5-Diisopropylpyrrolyl)2C6H3) and Studies Relevant to Catalytic Reduction of Dinitrogen","Journal of the American Chemical Society","2010","132","","8349","8358","10.1021/ja1008213","","","1.54178","CuKα","","0.0792","0.0568","","","0.1405","0.1563","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102558","12.8824","0.0012","7.9467","0.0007","16.7333","0.0016","90","","107.709","0.001","90","","1631.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Br O2 -","- C18 H19 Br O2 -","- C72 H76 Br4 O8 -","4","1","","Dipannita Kalyani; Andrew D. Satterfield; Melanie S. Sanford","Palladium-Catalyzed Oxidative Arylhalogenation of Alkenes: Synthetic Scope and Mechanistic Insights","Journal of the American Chemical Society","2010","132","","8419","8427","10.1021/ja101851v","","","0.71073","MoKα","","0.0405","0.03","","","0.0726","0.0784","","","","","","1.011","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102559","10.422","0.0007","14.4036","0.0009","16.715","0.001","102.594","0.001","99.673","0.001","103.003","0.001","2323","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 Cl O2 -","- C29 H25 Cl O2 -","- C116 H100 Cl4 O8 -","4","2","","Dipannita Kalyani; Andrew D. Satterfield; Melanie S. Sanford","Palladium-Catalyzed Oxidative Arylhalogenation of Alkenes: Synthetic Scope and Mechanistic Insights","Journal of the American Chemical Society","2010","132","","8419","8427","10.1021/ja101851v","","","0.71073","MoKα","","0.0657","0.0417","","","0.1013","0.1141","","","","","","1.01","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102560","11.893","0.0014","25.281","0.004","8.5184","0.0008","90","","109.522","0.006","90","","2414","0.5","85","2","85","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Cl O4 -","- C28 H29 Cl O4 -","- C112 H116 Cl4 O16 -","4","1","","Dipannita Kalyani; Andrew D. Satterfield; Melanie S. Sanford","Palladium-Catalyzed Oxidative Arylhalogenation of Alkenes: Synthetic Scope and Mechanistic Insights","Journal of the American Chemical Society","2010","132","","8419","8427","10.1021/ja101851v","","","0.71073","MoKα","","0.0392","0.0359","","","0.0932","0.0956","","","","","","1.083","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102561","40.194","0.002","7.0805","0.0004","26.8602","0.0014","90","","130.586","0.004","90","","5805.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 N3 O3 S2 -","- C36 H29 N3 O3 S2 -","- C288 H232 N24 O24 S16 -","8","1","","Rocío Ponce Ortiz; Helena Herrera; Raúl Blanco; Hui Huang; Antonio Facchetti; Tobin J. Marks; Yan Zheng; José L. Segura","Organic n-Channel Field-Effect Transistors Based on Arylenediimide-Thiophene Derivatives","Journal of the American Chemical Society","2010","132","","8440","8452","10.1021/ja1018783","","","1.54178","CuKα","","0.0924","0.054","","","0.1238","0.142","","","","","","1.027","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102562","8.9014","0.0002","11.7597","0.0002","17.7704","0.0004","90","","90","","90","","1860.17","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","1","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Highly Substituted Pyrrolidines by Palladium-Catalyzed Asymmetric [3+2] Cycloaddition of Trimethylenemethane with Ketimines","Journal of the American Chemical Society","2010","132","","8238","8240","10.1021/ja102102d","","","1.54178","CuKα","","0.0259","0.0252","","","0.0662","0.0666","","","","","","1.045","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102563","9.2738","0.0002","9.2738","0.0002","10.7801","0.0004","90","","90","","120","","802.91","0.04","290","","290","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ca3 Li O6 Os -","- Ca3 Li O6 Os -","- Ca18 Li6 O36 Os6 -","6","0.166667","","Youguo Shi; Yanfeng Guo; Shan Yu; Masao Arai; Akira Sato; Alexei A. Belik; Kazunari Yamaura; Eiji Takayama-Muromachi","Crystal Growth and Structure and Magnetic Properties of the 5d Oxide Ca3LiOsO6: Extended Superexchange Magnetic Interaction in Oxide","Journal of the American Chemical Society","2010","132","","8474","8483","10.1021/ja102606q","","","0.71073","MoKα","","0.0224","0.0218","","","0.0584","0.059","","","","","","1.218","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102564","8.1985","0.0016","15.429","0.003","17.096","0.003","90","","90","","90","","2162.6","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C88 H104 N8 O16 S4 -","4","1","","Porino Va; Erica L. Campbell; William M. Robertson; Dale L. Boger","Total Synthesis and Evaluation of a Key Series of C5-Substituted Vinblastine Derivatives","Journal of the American Chemical Society","2010","132","","8489","8495","10.1021/ja1027748","","","0.71073","MoKα","","0.0584","0.0556","","","0.1408","0.1431","","","","","","1.157","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102565","10.341","0.002","10.798","0.002","18.045","0.004","90","","90","","90","","2014.9","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C92 H96 N8 O20 -","4","1","","Porino Va; Erica L. Campbell; William M. Robertson; Dale L. Boger","Total Synthesis and Evaluation of a Key Series of C5-Substituted Vinblastine Derivatives","Journal of the American Chemical Society","2010","132","","8489","8495","10.1021/ja1027748","","","0.71073","MoKα","","0.1213","0.0844","","","0.1399","0.1543","","","","","","1.1","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102566","10.547","0.002","12.693","0.003","17.13","0.003","90","","90","","90","","2293.2","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 S -","- C24 H30 N2 O4 S -","- C96 H120 N8 O16 S4 -","4","1","","Porino Va; Erica L. Campbell; William M. Robertson; Dale L. Boger","Total Synthesis and Evaluation of a Key Series of C5-Substituted Vinblastine Derivatives","Journal of the American Chemical Society","2010","132","","8489","8495","10.1021/ja1027748","","","0.71073","MoKα","","0.0524","0.0446","","","0.0972","0.1012","","","","","","1.036","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102567","11.401","0.006","28.72","0.01","6.709","0.003","90","","113.897","0.002","90","","2008.5","1.6","270","2","270","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C38 H32 Co Fe2 N14 O4 -","- C38 H20 Co Fe2 N14 O4 -","- C76 H40 Co2 Fe4 N28 O8 -","2","0.25","","Tao Liu; Yan-Juan Zhang; Shinji Kanegawa; Osamu Sato","Photoinduced Metal-to-Metal Charge Transfer toward Single-Chain Magnet","Journal of the American Chemical Society","2010","132","","8250","8251","10.1021/ja1027953","","","0.71073","MoKα","","0.0355","0.028","","","0.079","0.0825","","","","","","1.046","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102568","11.134","0.002","28.383","0.006","6.6499","0.0013","90","","113.7","0.03","90","","1924.2","0.8","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C38 H32 Co Fe2 N14 O4 -","- C38 H20 Co Fe2 N14 O4 -","- C76 H40 Co2 Fe4 N28 O8 -","2","0.25","","Tao Liu; Yan-Juan Zhang; Shinji Kanegawa; Osamu Sato","Photoinduced Metal-to-Metal Charge Transfer toward Single-Chain Magnet","Journal of the American Chemical Society","2010","132","","8250","8251","10.1021/ja1027953","","","0.71073","MoKα","","0.0776","0.0687","","","0.1398","0.1452","","","","","","1.078","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102569","11.059","0.002","28.269","0.006","6.625","0.001","90","","113.79","0.03","90","","1895.2","0.7","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C38 H32 Co Fe2 N14 O4 -","- C38 H20 Co Fe2 N14 O4 -","- C76 H40 Co2 Fe4 N28 O8 -","2","0.25","","Tao Liu; Yan-Juan Zhang; Shinji Kanegawa; Osamu Sato","Photoinduced Metal-to-Metal Charge Transfer toward Single-Chain Magnet","Journal of the American Chemical Society","2010","132","","8250","8251","10.1021/ja1027953","","","0.71073","MoKα","","0.0714","0.0594","","","0.1307","0.1369","","","","","","1.179","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102570","19.844","0.0002","18.8816","0.0001","30.8966","0.0003","90","","90","","90","","11576.5","0.17","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H108 B2 Li2 O2 -","- C64 H108 B2 Li2 O2 -","- C512 H864 B16 Li16 O16 -","8","1","","Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","A Stable Doubly Hydrogen-Bridged Butterfly-Shaped Diborane(4) Compound","Journal of the American Chemical Society","2010","132","","8258","8260","10.1021/ja102913g","","","0.8","synchrotron","","0.1046","0.0527","","","0.1302","0.1562","","","","","","0.911","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102571","21.6307","0.0004","10.3196","0.0002","22.3696","0.0004","90","","91.727","0.0009","90","","4991.08","0.16","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H92 B2 -","- C56 H92 B2 -","- C224 H368 B8 -","4","0.5","","Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","A Stable Doubly Hydrogen-Bridged Butterfly-Shaped Diborane(4) Compound","Journal of the American Chemical Society","2010","132","","8258","8260","10.1021/ja102913g","","","0.71073","MoKα","","0.0713","0.0416","","","0.1223","0.1357","","","","","","1.022","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102572","9.574","0.005","10.277","0.005","12.803","0.007","90","","102.881","0.007","90","","1228","1.1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O7 -","- C27 H32 O7 -","- C54 H64 O14 -","2","1","","Ashok K. Basak; Naoyuki Shimada; William F. Bow; David A. Vicic; Marcus A. Tius","An Organocatalytic Asymmetric Nazarov Cyclization","Journal of the American Chemical Society","2010","132","","8266","8267","10.1021/ja103028r","","","0.71075","MoKα","","0.1157","0.0588","","","0.1033","0.1258","","","","","","1.006","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102573","13.841","0.003","11.389","0.003","18.565","0.004","90","","94.159","0.003","90","","2918.8","1.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N2 O6 S -","- C34 H32 N2 O6 S -","- C136 H128 N8 O24 S4 -","4","1","","John D. Trzupek; Dongjoo Lee; Brendan M. Crowley; Vasilios M. Marathias; Samuel J. Danishefsky","Total Synthesis of Enantiopure Phalarine via a Stereospecific Pictet-Spengler Reaction: Traceless Transfer of Chirality from l-Tryptophan","Journal of the American Chemical Society","2010","132","","8506","8512","10.1021/ja1030968","","","0.71073","MoKα","","0.0793","0.0434","","","0.1088","0.1321","","","","","","1.022","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102574","10.0705","0.0007","7.586","0.0006","11.9468","0.0009","90","","114.183","0.003","90","","832.58","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","TM-148","toste14","","- C17 H24 O6 -","- C17 H24 O6 -","- C34 H48 O12 -","2","1","","Steven G. Sethofer; Timo Mayer; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Polycyclization Reactions","Journal of the American Chemical Society","2010","132","","8276","8277","10.1021/ja103544p","","","1.54178","CuKα","","0.026","0.0253","","","0.0666","0.0672","","","","","","1.064","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4102575","22.632","0.003","38.947","0.005","13.0122","0.0016","90","","90","","90","","11470","3","143","2","143","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","SGS5-4","toste09","","- C70 H96 Au2 Cl2 O2 P2 -","- C70 H96 Au2 Cl2 O2 P2 -","- C420 H576 Au12 Cl12 O12 P12 -","6","1.5","","Steven G. Sethofer; Timo Mayer; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Polycyclization Reactions","Journal of the American Chemical Society","2010","132","","8276","8277","10.1021/ja103544p","","","0.71073","MoKα","","0.0415","0.0326","","","0.0827","0.0869","","","","","","1.05","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102576","8.7941","0.0006","10.3348","0.0007","12.3385","0.0009","88.425","0.002","70.796","0.002","70.657","0.002","995.02","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","SGS5-83","toste17","","- C22 H28 O6 -","- C22 H28 O6 -","- C44 H56 O12 -","2","1","","Steven G. Sethofer; Timo Mayer; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Polycyclization Reactions","Journal of the American Chemical Society","2010","132","","8276","8277","10.1021/ja103544p","","","1.54178","CuKα","","0.0359","0.0345","","","0.0873","0.0886","","","","","","1.026","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102577","9.6322","0.0006","9.7408","0.0006","14.0139","0.0009","90","","91.456","0.002","90","","1314.43","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","SGS5_151","toste18","","- C29 H40 O6 -","- C29 H40 O6 -","- C58 H80 O12 -","2","1","","Steven G. Sethofer; Timo Mayer; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Polycyclization Reactions","Journal of the American Chemical Society","2010","132","","8276","8277","10.1021/ja103544p","","","1.54178","CuKα","","0.0298","0.0296","","","0.083","0.0832","","","","","","1.094","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102578","19.107","0.002","22.61","0.003","28.544","0.006","98.529","0.011","96.193","0.012","114.274","0.008","10920","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C196 H216 Au38 S24 -","- C180 H184 Au38 S24 -","- C360 H368 Au76 S48 -","2","1","","Huifeng Qian; William T. Eckenhoff; Yan Zhu; Tomislav Pintauer; Rongchao Jin","Total Structure Determination of Thiolate-Protected Au38 Nanoparticles","Journal of the American Chemical Society","2010","132","","8280","8281","10.1021/ja103592z","","","0.71073","MoKα","","0.2424","0.0754","","","0.1385","0.2078","","","","","","0.964","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102579","17.844","0.005","12.072","0.004","21.601","0.006","90","","103.645","0.004","90","","4522","2","123","2","123","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","09092a","","","- C26 H18 Cl6 D36 F6 Fe N10 O7 S2 -","- C26 H18 Cl6 D36 F6 Fe N10 O7 S2 -","- C104 H72 Cl24 D144 F24 Fe4 N40 O28 S8 -","4","1","","Jason England; Yisong Guo; Erik R. Farquhar; Victor G. Young Jr.; Eckard Münck; Lawrence Que Jr.","The Crystal Structure of a High-Spin Oxoiron(IV) Complex and Characterization of Its Self-Decay Pathway","Journal of the American Chemical Society","2010","132","","8635","8644","10.1021/ja100366c","","","0.71073","MoKα","","0.0777","0.0462","","","0.1037","0.1218","","","","","","1.055","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102580","22.0889","0.0004","22.0889","0.0004","13.8862","0.0004","90","","90","","90","","6775.3","0.3","295","2","295","2","","","","","","","","6","I -4","I -4","82","","","","- C30 H28 Cl2 F6 O6 Pd2 -","- C30 H28 Cl2 F6 O6 Pd2 -","- C240 H224 Cl16 F48 O48 Pd16 -","8","1","","Parthasarathy Gandeepan; Kanniyappan Parthasarathy; Chien-Hong Cheng","Synthesis of Phenanthrone Derivatives from sec-Alkyl Aryl Ketones and Aryl Halides via a Palladium-Catalyzed Dual C-H Bond Activation and Enolate Cyclization","Journal of the American Chemical Society","2010","132","","8569","8571","10.1021/ja1026248","","","0.71073","MoKα","","0.0694","0.0409","","","0.0867","0.1003","","","","","","1.012","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102581","9.153","0.006","11.934","0.008","4.372","0.003","90","","90","","90","","477.6","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- B3 Be Na O6 -","- B3 Be Na O6 -","- B12 Be4 Na4 O24 -","4","1","","Shichao Wang; Ning Ye; Wei Li; Dan Zhao","Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals","Journal of the American Chemical Society","2010","132","","8779","8786","10.1021/ja102737t","","","0.71073","MoKα","","0.0438","0.0378","","","0.0741","0.0763","","","","","","1.11","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102582","10.405","0.01","9.001","0.007","6.559","0.014","90","","114.543","0.011","90","","558.8","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B3 Be2 K O7 -","- B3 Be2 K O7 -","- B12 Be8 K4 O28 -","4","0.5","","Shichao Wang; Ning Ye; Wei Li; Dan Zhao","Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals","Journal of the American Chemical Society","2010","132","","8779","8786","10.1021/ja102737t","","","0.71073","MoKα","","0.0244","0.0235","","","0.0612","0.0619","","","","","","1.171","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102583","7.639","0.006","17.464","0.013","4.376","0.003","90","","90","","90","","583.8","0.7","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- B3 Be2 K O7 -","- B3 Be2 K O7 -","- B12 Be8 K4 O28 -","4","1","","Shichao Wang; Ning Ye; Wei Li; Dan Zhao","Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals","Journal of the American Chemical Society","2010","132","","8779","8786","10.1021/ja102737t","","","0.71073","MoKα","","0.029","0.0271","","","0.0675","0.069","","","","","","1.068","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102584","7.4766","0.0013","13.2701","0.0018","9.3263","0.0017","90","","111.272","0.01","90","","862.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B9 Be6 K3 O21 -","- B9 Be6 K3 O21 -","- B18 Be12 K6 O42 -","2","1","","Shichao Wang; Ning Ye; Wei Li; Dan Zhao","Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals","Journal of the American Chemical Society","2010","132","","8779","8786","10.1021/ja102737t","","","0.71073","MoKα","","0.0465","0.0405","","","0.1141","0.1195","","","","","","1.092","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102585","7.687","0.004","17.724","0.009","4.393","0.002","90","","90","","90","","598.5","0.5","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- B3 Be2 O7 Rb -","- B3 Be2 O7 Rb -","- B12 Be8 O28 Rb4 -","4","1","","Shichao Wang; Ning Ye; Wei Li; Dan Zhao","Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals","Journal of the American Chemical Society","2010","132","","8779","8786","10.1021/ja102737t","","","0.71073","MoKα","","0.04","0.0338","","","0.074","0.0767","","","","","","1.012","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102586","10.8373","0.0009","10.8373","0.0009","14.8921","0.0013","90","","90","","90","","1749","0.3","100","","100","","","","","","","","dichloromethane","4","P 41","P 4w","76","","2-(R)-ethoxy-5,5-di(4-bromophenyl)tetrahydrofuran","","- C18 H18 Br2 O2 -","- C18 H18 Br2 O2 -","- C72 H72 Br8 O8 -","4","1","","Ilija Čorić; Sreekumar Vellalath; Benjamin List","Catalytic Asymmetric Transacetalization","Journal of the American Chemical Society","2010","132","","8536","8537","10.1021/ja102753d","","","1.54178","Cu-Kα","","0.0168","0.0168","","","0.0407","0.0407","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102587","13.856","0.003","4.105","0.0008","12.343","0.003","90","","118.55","0.03","90","","616.7","0.3","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- La3 O3 Sb -","- La3 O3 Sb -","- La12 O12 Sb4 -","4","0.5","","Peng Wang; Scott Forbes; Taras Kolodiazhnyi; Kosuke Kosuda; Yurij Mozharivskyj","Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-δO8, with RE = La, Sm, Gd, and Ho","Journal of the American Chemical Society","2010","132","","8795","8803","10.1021/ja1027698","","","0.71073","MoKα","","0.1104","0.0486","","","0.0589","0.0737","","","","","","0.629","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102588","13.332","0.002","3.9501","0.0004","11.9187","0.0018","90","","118.31","0.011","90","","552.6","0.14","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O3 Sb Sm3 -","- O3 Sb Sm3 -","- O12 Sb4 Sm12 -","4","0.5","","Peng Wang; Scott Forbes; Taras Kolodiazhnyi; Kosuke Kosuda; Yurij Mozharivskyj","Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-δO8, with RE = La, Sm, Gd, and Ho","Journal of the American Chemical Society","2010","132","","8795","8803","10.1021/ja1027698","","","0.71073","MoKα","","0.0654","0.0319","","","0.0448","0.05","","","","","","0.823","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102589","13.462","0.003","3.8629","0.0008","15.23","0.003","90","","106.77","0.03","90","","758.3","0.3","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O8 Sb3 Sm8 -","- O8 Sb2.976 Sm8 -","- O16 Sb5.952 Sm16 -","2","0.25","","Peng Wang; Scott Forbes; Taras Kolodiazhnyi; Kosuke Kosuda; Yurij Mozharivskyj","Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-δO8, with RE = La, Sm, Gd, and Ho","Journal of the American Chemical Society","2010","132","","8795","8803","10.1021/ja1027698","","","0.71073","MoKα","","0.0909","0.0389","","","0.0465","0.054","","","","","","0.801","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102590","13.272","0.003","3.8971","0.0008","11.878","0.002","90","","118.4","0.03","90","","540.4","0.2","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Gd3 O3 Sb -","- Gd3 O3 Sb -","- Gd12 O12 Sb4 -","4","0.5","","Peng Wang; Scott Forbes; Taras Kolodiazhnyi; Kosuke Kosuda; Yurij Mozharivskyj","Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-δO8, with RE = La, Sm, Gd, and Ho","Journal of the American Chemical Society","2010","132","","8795","8803","10.1021/ja1027698","","","0.71073","MoKα","","0.109","0.0664","","","0.1347","0.1475","","","","","","1.018","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102591","13.394","0.003","3.8191","0.0008","15.104","0.003","90","","107.05","0.03","90","","738.7","0.3","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Gd8 O8 Sb3 -","- Gd8 O8 Sb3 -","- Gd16 O16 Sb6 -","2","0.25","","Peng Wang; Scott Forbes; Taras Kolodiazhnyi; Kosuke Kosuda; Yurij Mozharivskyj","Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-δO8, with RE = La, Sm, Gd, and Ho","Journal of the American Chemical Society","2010","132","","8795","8803","10.1021/ja1027698","","","0.71073","MoKα","","0.0876","0.0463","","","0.0875","0.0963","","","","","","0.922","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102592","13.014","0.003","3.8218","0.0007","11.679","0.002","90","","118.213","0.014","90","","511.87","0.19","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ho3 O3 Sb -","- Ho3 O3 Sb -","- Ho12 O12 Sb4 -","4","0.5","","Peng Wang; Scott Forbes; Taras Kolodiazhnyi; Kosuke Kosuda; Yurij Mozharivskyj","Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-δO8, with RE = La, Sm, Gd, and Ho","Journal of the American Chemical Society","2010","132","","8795","8803","10.1021/ja1027698","","","0.71073","MoKα","","0.1185","0.0518","","","0.0788","0.0943","","","","","","0.914","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102593","13.1368","0.0011","3.7609","0.0002","14.87","0.0013","90","","106.958","0.007","90","","702.73","0.1","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ho8 O8 Sb3 -","- Ho8 O8 Sb2.95 -","- Ho16 O16 Sb5.9 -","2","0.25","","Peng Wang; Scott Forbes; Taras Kolodiazhnyi; Kosuke Kosuda; Yurij Mozharivskyj","Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-δO8, with RE = La, Sm, Gd, and Ho","Journal of the American Chemical Society","2010","132","","8795","8803","10.1021/ja1027698","","","0.71073","MoKα","","0.0737","0.041","","","0.066","0.072","","","","","","1.015","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102594","13.1445","0.0017","3.7597","0.0005","14.874","0.002","90","","107.025","0.005","90","","702.85","0.16","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ho8 O8 Sb3 -","- Ho8 O8 Sb2.946 -","- Ho16 O16 Sb5.892 -","2","0.25","","Peng Wang; Scott Forbes; Taras Kolodiazhnyi; Kosuke Kosuda; Yurij Mozharivskyj","Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-δO8, with RE = La, Sm, Gd, and Ho","Journal of the American Chemical Society","2010","132","","8795","8803","10.1021/ja1027698","","","0.71073","MoKα","","0.0467","0.0353","","","0.0666","0.0706","","","","","","1.04","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102595","14.2752","0.0006","14.173","0.0006","19.8547","0.0009","90","","92.571","0.001","90","","4013","0.3","296","2","191","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H92 Dy4 N8 O30 -","- C74 H92 Dy4 N8 O30 -","- C148 H184 Dy8 N16 O60 -","2","0.5","","Yun-Nan Guo; Gong-Feng Xu; Patrick Gamez; Lang Zhao; Shuang-Yan Lin; Ruiping Deng; Jinkui Tang; Hong-Jie Zhang","Two-Step Relaxation in a Linear Tetranuclear Dysprosium(III) Aggregate Showing Single-Molecule Magnet Behavior","Journal of the American Chemical Society","2010","132","","8538","8539","10.1021/ja103018m","","","0.71073","MoKα","","0.0201","0.0186","","","0.0462","0.0468","","","","","","1.096","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102596","18.2908","0.0002","19.333","0.0002","22.0646","0.0004","90","","94.6278","0.0004","90","","7776.96","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C132 H220 N12 O15 P8 Ru4 -","- C132 H220 N12 O15 P8 Ru4 -","- C264 H440 N24 O30 P16 Ru8 -","2","0.5","","Eugene Khaskin; Mark A. Iron; Linda J. W. Shimon; Jing Zhang; David Milstein","N-H Activation of Amines and Ammonia by Ru via Metal-Ligand Cooperation","Journal of the American Chemical Society","2010","132","","8542","8543","10.1021/ja103130u","","","0.71073","MoKα","","0.0742","0.058","","","0.145","0.1525","","","","","","1.052","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102597","22.375","0.002","8.3133","0.001","30.838","0.003","90","","101.635","0.005","90","","5618.3","1","150","2","150","2","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H29 N O2 -","- C39 H29 N O2 -","- C312 H232 N8 O16 -","8","1","","Jeanne Leblond; Hui Gao; Anne Petitjean; Jean-Christophe Leroux","pH-Responsive Molecular Tweezers","Journal of the American Chemical Society","2010","132","","8544","8545","10.1021/ja103153t","","","1.54178","CuKα","","0.0784","0.0539","","","0.118","0.1302","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102598","13.118","0.003","15.53","0.003","7.7261","0.0015","90","","101.78","0.03","90","","1540.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Paresma R. Patel; Dale L. Boger","Intramolecular [1 + 2] and [3 + 2] Cycloaddition Reactions of Cyclopropenone Ketals","Journal of the American Chemical Society","2010","132","","8527","8529","10.1021/ja103933n","","","0.71073","MoKα","","0.1517","0.0919","","","0.2053","0.2344","","","","","","1.078","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102599","9.0122","0.0018","9.7153","0.0019","10.094","0.002","113.58","0.03","98.95","0.03","101.5","0.03","766","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C36 H38 N2 O4 -","2","1","","Paresma R. Patel; Dale L. Boger","Intramolecular [1 + 2] and [3 + 2] Cycloaddition Reactions of Cyclopropenone Ketals","Journal of the American Chemical Society","2010","132","","8527","8529","10.1021/ja103933n","","","0.71073","MoKα","","0.0748","0.0666","","","0.1868","0.1945","","","","","","1.057","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102600","8.8196","0.0018","11.018","0.002","15.998","0.003","90","","99.85","0.03","90","","1531.7","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Paresma R. Patel; Dale L. Boger","Intramolecular [1 + 2] and [3 + 2] Cycloaddition Reactions of Cyclopropenone Ketals","Journal of the American Chemical Society","2010","132","","8527","8529","10.1021/ja103933n","","","0.71073","MoKα","","0.089","0.049","","","0.0968","0.1118","","","","","","1.015","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102601","13.39","0.003","7.864","0.0016","16.575","0.003","90","","107.64","0.03","90","","1663.3","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C76 H88 O12 -","4","1","","Paresma R. Patel; Dale L. Boger","Intramolecular [1 + 2] and [3 + 2] Cycloaddition Reactions of Cyclopropenone Ketals","Journal of the American Chemical Society","2010","132","","8527","8529","10.1021/ja103933n","","","0.71073","MoKα","","0.0868","0.0657","","","0.169","0.183","","","","","","1.081","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102602","16.428","0.003","9.6578","0.0019","20.204","0.004","90","","90.45","0.03","90","","3205.4","1.1","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C152 H176 O24 -","8","1","","Paresma R. Patel; Dale L. Boger","Intramolecular [1 + 2] and [3 + 2] Cycloaddition Reactions of Cyclopropenone Ketals","Journal of the American Chemical Society","2010","132","","8527","8529","10.1021/ja103933n","","","0.71073","MoKα","","0.053","0.0436","","","0.104","0.1104","","","","","","1.059","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102603","7.6864","0.0015","10.286","0.002","10.406","0.002","109.63","0.03","106.62","0.03","103.44","0.03","691.6","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C28 H40 O6 -","2","1","","Paresma R. Patel; Dale L. Boger","Intramolecular [1 + 2] and [3 + 2] Cycloaddition Reactions of Cyclopropenone Ketals","Journal of the American Chemical Society","2010","132","","8527","8529","10.1021/ja103933n","","","0.71073","MoKα","","0.1469","0.0802","","","0.1762","0.2118","","","","","","1.03","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102604","30.462","0.006","8.0445","0.0016","16.349","0.003","90","","122.21","0.03","90","","3389.8","1.6","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C160 H192 O24 -","8","1","","Paresma R. Patel; Dale L. Boger","Intramolecular [1 + 2] and [3 + 2] Cycloaddition Reactions of Cyclopropenone Ketals","Journal of the American Chemical Society","2010","132","","8527","8529","10.1021/ja103933n","","","0.71073","MoKα","","0.087","0.0674","","","0.1712","0.1826","","","","","","1.128","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102605","20.708","0.01","7.698","0.004","25.356","0.012","90","","90","","90","","4042","3","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Diacetoxy-8,9-dibromo-5,12-dihydro-5,12-methanotetracene","","- C23 H16 Br2 O4 -","- C23 H16 Br2 O4 -","- C184 H128 Br16 O32 -","8","1","","Georg Jansen; Björn Kahlert; Frank-Gerrit Klärner; Roland Boese; Dieter Bläser","Intramolecular Electronic Interactions between Nonconjugated Arene and Quinone Chromophores","Journal of the American Chemical Society","2010","132","","8581","8592","10.1021/ja910362j","","","0.71073","MoKα","","0.1178","0.0376","","","0.0758","0.1008","","","","","","0.992","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102606","8.471","0.01","26.9","0.03","8.217","0.009","90","","93.28","0.02","90","","1869","4","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Diacetoxy-5,12-dihydro-5,12-methanotetracene","","- C23 H18 O4 -","- C23 H18 O4 -","- C92 H72 O16 -","4","1","","Georg Jansen; Björn Kahlert; Frank-Gerrit Klärner; Roland Boese; Dieter Bläser","Intramolecular Electronic Interactions between Nonconjugated Arene and Quinone Chromophores","Journal of the American Chemical Society","2010","132","","8581","8592","10.1021/ja910362j","","","0.71073","MoKα","","0.1746","0.0571","","","0.1344","0.1728","","","","","","0.962","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102607","11.917","0.008","10.215","0.007","15.634","0.01","90","","102.999","0.014","90","","1854","2","223","2","223","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Dimethoxy-5,14-dihydro-5,14-methanopentacene","","- C25 H20 O2 -","- C25 H20 O2 -","- C100 H80 O8 -","4","1","","Georg Jansen; Björn Kahlert; Frank-Gerrit Klärner; Roland Boese; Dieter Bläser","Intramolecular Electronic Interactions between Nonconjugated Arene and Quinone Chromophores","Journal of the American Chemical Society","2010","132","","8581","8592","10.1021/ja910362j","","","0.71073","MoKα","","0.1048","0.0452","","","0.0987","0.1195","","","","","","0.995","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102608","15.2702","0.0005","10.1219","0.0004","15.6273","0.0005","90","","96.918","0.002","90","","2397.82","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H11 Fe2 N O8 S2 -","- C25 H11 Fe2 N O8 S2 -","- C100 H44 Fe8 N4 O32 S8 -","4","1","","Amanda P. S. Samuel; Dick T. Co; Charlotte L. Stern; Michael R. Wasielewski","Ultrafast Photodriven Intramolecular Electron Transfer from a Zinc Porphyrin to a Readily Reduced Diiron Hydrogenase Model Complex","Journal of the American Chemical Society","2010","132","","8813","8815","10.1021/ja100016v","","","0.71073","MoKα","","0.0414","0.0288","","","0.0704","0.0802","","","","","","1.041","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102609","8.5625","0.0011","8.5625","0.0011","8.5625","0.0011","90","","90","","90","","627.77","0.14","100","3","100","3","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Ga6 Ge6 Mn Y4 -","- Ga6 Ge6 Mn Y4 -","- Ga12 Ge12 Mn2 Y8 -","2","0.0208333","","Melanie C. Francisco; Christos D. Malliakas; Paula M. B. Piccoli; Matthias J. Gutmann; Arthur J. Schultz; Mercouri G. Kanatzidis","Development and Loss of Ferromagnetism Controlled by the Interplay of Ge Concentration and Mn Vacancies in Structurally Modulated Y4Mn1-xGa12-yGey","Journal of the American Chemical Society","2010","132","","8998","9006","10.1021/ja1009986","","","0.71073","MoKα","","0.0274","0.0268","","","0.0775","0.0775","","","","","","3.713","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102610","8.5481","0.0007","8.5481","0.0007","8.5481","0.0007","90","","90","","90","","624.61","0.09","100","1","100","1","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Ga6 Ge6 Mn Y4 -","- Ga6 Ge6 Mn Y4 -","- Ga12 Ge12 Mn2 Y8 -","2","0.0208333","","Melanie C. Francisco; Christos D. Malliakas; Paula M. B. Piccoli; Matthias J. Gutmann; Arthur J. Schultz; Mercouri G. Kanatzidis","Development and Loss of Ferromagnetism Controlled by the Interplay of Ge Concentration and Mn Vacancies in Structurally Modulated Y4Mn1-xGa12-yGey","Journal of the American Chemical Society","2010","132","","8998","9006","10.1021/ja1009986","","","0.71073","MoKα","","0.0246","0.0237","","","0.0502","0.0503","","","","","","2.246","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102611","8.598","0.0027","8.598","0.0027","8.598","0.0027","90","","90","","90","","635.6","0.3","260","","260","1","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Ga10.98 Ge1.02 Mn0.9 Y4 -","- Ga10.98 Ge1.02 Mn0.904 Y4 -","- Ga21.96 Ge2.04 Mn1.808 Y8 -","2","0.0208333","","Melanie C. Francisco; Christos D. Malliakas; Paula M. B. Piccoli; Matthias J. Gutmann; Arthur J. Schultz; Mercouri G. Kanatzidis","Development and Loss of Ferromagnetism Controlled by the Interplay of Ge Concentration and Mn Vacancies in Structurally Modulated Y4Mn1-xGa12-yGey","Journal of the American Chemical Society","2010","132","","8998","9006","10.1021/ja1009986","powder diffraction","neutron","","neutron","","0.066","0.066","","","","0.133","","","1.75","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4102612","8.586","0.002","8.586","0.002","8.586","0.002","90","","90","","90","","633","0.3","298","","298","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Ga7.98 Ge4.02 Mn0.95 Y4 -","- Ga7.98 Ge4.02 Mn0.951 Y4 -","- Ga15.96 Ge8.04 Mn1.902 Y8 -","2","0.0208333","","Melanie C. Francisco; Christos D. Malliakas; Paula M. B. Piccoli; Matthias J. Gutmann; Arthur J. Schultz; Mercouri G. Kanatzidis","Development and Loss of Ferromagnetism Controlled by the Interplay of Ge Concentration and Mn Vacancies in Structurally Modulated Y4Mn1-xGa12-yGey","Journal of the American Chemical Society","2010","132","","8998","9006","10.1021/ja1009986","powder diffraction","neutron","","neutron","","0.087","0.071","","","","0.103","","","1.24","","","","","","","has coordinates,has Fobs","178772","2020-10-21","18:00:00",""
"4102613","13.551","0.005","11.403","0.004","11.442","0.004","90","","96.214","0.007","90","","1757.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 S -","- C19 H25 N O4 S -","- C76 H100 N4 O16 S4 -","4","1","","Michal Szostak; Lei Yao; Victor W. Day; Douglas R. Powell; Jeffrey Aubé","Structural Characterization of N-Protonated Amides: Regioselective N-Activation of Medium-Bridged Twisted Lactams","Journal of the American Chemical Society","2010","132","","8836","8837","10.1021/ja101690u","","","0.71073","MoKα","","0.0682","0.0621","","","0.1396","0.1434","","","","","","1.018","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102614","9.579","0.003","10.318","0.003","11.947","0.003","102.329","0.006","98.412","0.006","97.361","0.006","1125.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 N O4 S -","- C25 H29 N O4 S -","- C50 H58 N2 O8 S2 -","2","1","","Michal Szostak; Lei Yao; Victor W. Day; Douglas R. Powell; Jeffrey Aubé","Structural Characterization of N-Protonated Amides: Regioselective N-Activation of Medium-Bridged Twisted Lactams","Journal of the American Chemical Society","2010","132","","8836","8837","10.1021/ja101690u","","","0.71073","MoKα","","0.0931","0.0829","","","0.1871","0.1925","","","","","","1.045","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102615","12.836","0.002","10.012","0.002","18.519","0.003","90","","103.541","0.004","90","","2313.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Br N O4 S -","- C25 H28 Br N O4 S -","- C100 H112 Br4 N4 O16 S4 -","4","1","","Michal Szostak; Lei Yao; Victor W. Day; Douglas R. Powell; Jeffrey Aubé","Structural Characterization of N-Protonated Amides: Regioselective N-Activation of Medium-Bridged Twisted Lactams","Journal of the American Chemical Society","2010","132","","8836","8837","10.1021/ja101690u","","","0.71073","MoKα","","0.0536","0.0377","","","0.0899","0.0947","","","","","","1.036","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102616","9.5638","0.0019","6.2274","0.0012","29.609","0.006","90","","96.414","0.003","90","","1752.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 N O2 -","- C20 H29 N O2 -","- C80 H116 N4 O8 -","4","1","","Michal Szostak; Lei Yao; Victor W. Day; Douglas R. Powell; Jeffrey Aubé","Structural Characterization of N-Protonated Amides: Regioselective N-Activation of Medium-Bridged Twisted Lactams","Journal of the American Chemical Society","2010","132","","8836","8837","10.1021/ja101690u","","","0.71073","MoKα","","0.1285","0.1267","","","0.2739","0.2752","","","","","","1.161","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102617","14.5938","0.0015","11.0075","0.0009","32.94","0.003","90","","99.129","0.004","90","","5224.5","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H14 Ce2 O2 S4 -","- C94 H14 Ce2 O2 S4 -","- C376 H56 Ce8 O8 S16 -","4","1","","Dirk M. Guldi; Lai Feng; Shankara Gayathri Radhakrishnan; Hidefumi Nikawa; Michio Yamada; Naomi Mizorogi; Takahiro Tsuchiya; Takeshi Akasaka; Shigeru Nagase; M. Ángeles Herranz; Nazario Martín","A Molecular Ce2@Ih-C80 Switch-Unprecedented Oxidative Pathway in Photoinduced Charge Transfer Reactivity","Journal of the American Chemical Society","2010","132","","9078","9086","10.1021/ja101856j","","","0.71075","MoKα","","0.0994","0.0901","","","0.2602","0.2653","","","","","","1.118","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102618","7.1406","0.0003","24.5387","0.0011","11.2924","0.0006","90","","98.649","0.002","90","","1956.16","0.16","171","2","171","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 Br2 O2 -","- C21 H22 Br2 O2 -","- C84 H88 Br8 O8 -","4","2","","Kento Ishida; Hiroyuki Kusama; Nobuharu Iwasawa","Enantioselective Preparation of 8-Oxabicyclo[3.2.1]octane Derivatives via Asymmetric [3+2]-Cycloaddition of Platinum-Containing Carbonyl Ylides with Vinyl Ethers","Journal of the American Chemical Society","2010","132","","8842","8843","10.1021/ja102391t","","","0.71075","MoKα","","0.0456","0.0357","","","0.0959","0.1109","","","","","","0.728","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102619","15.3063","0.0009","11.4749","0.0007","19.1538","0.0012","90","","94.055","0.001","90","","3355.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H42 Cl Ir O2 P2 Si -","- C35 H42 Cl Ir O2 P2 Si -","- C140 H168 Cl4 Ir4 O8 P8 Si4 -","4","1","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0719","0.0357","","","0.0533","0.0592","","","","","","0.723","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102620","17.0033","0.0011","19.284","0.0013","10.0283","0.0007","90","","90","","90","","3288.2","0.4","100","2","100","0.2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H38 Br Cl2 Ir P2 Si -","- C32 H38 Br Cl2 Ir P2 Si -","- C128 H152 Br4 Cl8 Ir4 P8 Si4 -","4","1","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0359","0.0266","","","0.0406","0.0416","","","","","","0.814","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102621","11.3007","0.0007","18.6699","0.0012","13.9997","0.0009","90","","99.925","0.001","90","","2909.5","0.3","100","2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 Br Ir P2 Si -","- C31 H36 Br Ir P2 Si -","- C124 H144 Br4 Ir4 P8 Si4 -","4","1","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0285","0.0211","","","0.04","0.0409","","","","","","0.891","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102622","7.8913","0.0003","22.2515","0.0008","9.1239","0.0003","90","","111.896","0.001","90","","1486.52","0.09","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C31 H36 I Ir P2 Si -","- C31 H36 I Ir P2 Si -","- C62 H72 I2 Ir2 P4 Si2 -","2","0.5","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0199","0.0186","","","0.0415","0.0419","","","","","","1.045","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102623","11.4095","0.0008","18.8397","0.0013","14.1399","0.001","90","","100.888","0.001","90","","2984.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Br Ir O P2 Si -","- C32 H36 Br Ir O P2 Si -","- C128 H144 Br4 Ir4 O4 P8 Si4 -","4","1","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0313","0.0235","","","0.0467","0.0478","","","","","","0.911","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102624","7.6296","0.0006","20.834","0.0016","21.0695","0.0016","90","","90","","90","","3349.1","0.4","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H41 Cl3 Ir N P2 Si -","- C34 H41 Cl3 Ir N P2 Si -","- C136 H164 Cl12 Ir4 N4 P8 Si4 -","4","0.5","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0535","0.0301","","","0.0429","0.0461","","","","","","0.883","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102625","10.5097","0.0009","20.8031","0.0017","14.1343","0.0012","90","","91.806","0.002","90","","3088.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 Ir O2 P2 Si -","- C33 H39 Ir O2 P2 Si -","- C132 H156 Ir4 O8 P8 Si4 -","4","1","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0809","0.0425","","","0.0588","0.0659","","","","","","0.767","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102626","14.116","0.0006","19.3072","0.0008","22.4163","0.0009","90","","90","","90","","6109.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H38 Cl Ir P2 Si -","- C33 H38 Cl Ir P2 Si -","- C264 H304 Cl8 Ir8 P16 Si8 -","8","2","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0619","0.0379","","","0.0532","0.058","","","","","","0.71","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102627","7.785","0.0005","10.978","0.0012","11.403","0.0011","95.927","0.007","103.375","0.007","96.072","0.008","934.54","0.15","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H58 N2 O Si2 -","- C38 H58 N2 O Si2 -","- C38 H58 N2 O Si2 -","1","0.5","","Søren Lindbaek Broman; Michael Åxman Petersen; Christian G. Tortzen; Anders Kadziola; Kristine Kilså; Mogens Brøndsted Nielsen","Arylethynyl Derivatives of the Dihydroazulene/Vinylheptafulvene Photo/Thermoswitch: Tuning the Switching Event","Journal of the American Chemical Society","2010","132","","9165","9174","10.1021/ja103235g","","","0.71073","MoKα","","0.1312","0.0942","","","0.1911","0.2159","","","","","","1.078","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102628","8.5537","0.0002","15.3855","0.0003","16.0317","0.0003","78.407","0.002","78.195","0.002","87.104","0.001","2022.97","0.08","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C34.5 H55 B Cl4 Ga N2 P -","- C34.5 H55 B Cl4 Ga N2 P -","- C69 H110 B2 Cl8 Ga2 N4 P2 -","2","1","","Florie Lavigne; Eddy Maerten; Gilles Alcaraz; Nathalie Saffon-Merceron; Carles Acosta-Silva; Vicenç Branchadell; Antoine Baceiredo","Borylated Methylenephosphonium Salts: Precursors of Elusive Boryl(phosphino)carbenes","Journal of the American Chemical Society","2010","132","","8864","8865","10.1021/ja103422b","","","0.71073","MoKα","","0.0655","0.0398","","","0.0885","0.1001","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102629","11.1594","0.0004","9.2248","0.0004","30.9493","0.0012","90","","98.917","0.003","90","","3147.5","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H50 B N2 P -","- C31 H50 B N2 P -","- C124 H200 B4 N8 P4 -","4","1","","Florie Lavigne; Eddy Maerten; Gilles Alcaraz; Nathalie Saffon-Merceron; Carles Acosta-Silva; Vicenç Branchadell; Antoine Baceiredo","Borylated Methylenephosphonium Salts: Precursors of Elusive Boryl(phosphino)carbenes","Journal of the American Chemical Society","2010","132","","8864","8865","10.1021/ja103422b","","","0.71073","MoKα","","0.1721","0.0684","","","0.1403","0.1787","","","","","","1.011","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102630","11.7546","0.0003","8.5825","0.0002","19.6622","0.0006","90","","103.959","0.001","90","","1925.02","0.09","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H42 B Fe N O2 -","- C52 H42 B Fe N O2 -","- C104 H84 B2 Fe2 N2 O4 -","2","1","","Giorgio Mirri; Steven D. Bull; Peter N. Horton; Tony D. James; Louise Male; James H. R. Tucker","Electrochemical Method for the Determination of Enantiomeric Excess of Binol Using Redox-Active Boronic Acids as Chiral Sensors","Journal of the American Chemical Society","2010","132","","8903","8905","10.1021/ja103462x","","","0.71073","MoKα","","0.0721","0.0592","","","0.1183","0.1307","","","","","","1.164","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102631","10.1494","0.0002","14.1915","0.0003","24.3721","0.0006","90","","98.372","0.001","90","","3473.03","0.13","296","2","296","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C34 H48 N2 O7 S -","- C34 H48 N2 O7 S -","- C136 H192 N8 O28 S4 -","4","2","","Łukasz Albrecht; Hao Jiang; Gustav Dickmeiss; Björn Gschwend; Signe Grann Hansen; Karl Anker Jørgensen","Asymmetric Formal trans-Dihydroxylation and trans-Aminohydroxylation of α,β-Unsaturated Aldehydes via an Organocatalytic Reaction Cascade","Journal of the American Chemical Society","2010","132","","9188","9196","10.1021/ja103538s","","x-ray","0.71073","MoKα","","0.0567","0.0468","","","0.133","0.1422","","","","","","1.024","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102632","15.346","0.004","15.422","0.004","17.595","0.004","113.517","0.003","98.507","0.003","103.154","0.003","3582.7","1.6","110","2","110","2","","","","","","","","7","P 1","P 1","1","1-CyD","","","- C98 H204 Fe2 N Na O107 S3 -","- C98 H145 Fe2 N Na O104.84 S3 -","- C98 H145 Fe2 N Na O104.84 S3 -","1","1","","Michael L. Singleton; Joseph H. Reibenspies; Marcetta Y. Darensbourg","A Cyclodextrin Host/Guest Approach to a Hydrogenase Active Site Biomimetic Cavity","Journal of the American Chemical Society","2010","132","","8870","8871","10.1021/ja103774j","","","0.71073","MoKα","","0.1277","0.0832","","","0.1797","0.2086","","","","","","0.999","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102633","22.1279","0.0002","7.6853","0.0005","16.7425","0.001","90","","99.752","0.002","90","","2806.1","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","TEA1","","","- C22 H24 Fe2 N2 O9 S3 -","- C22 H24 Fe2 N2 O9 S3 -","- C88 H96 Fe8 N8 O36 S12 -","4","1","","Michael L. Singleton; Joseph H. Reibenspies; Marcetta Y. Darensbourg","A Cyclodextrin Host/Guest Approach to a Hydrogenase Active Site Biomimetic Cavity","Journal of the American Chemical Society","2010","132","","8870","8871","10.1021/ja103774j","","","0.71073","MoKα","","0.0575","0.0408","","","0.0888","0.0941","","","","","","1.064","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102634","20.8279","0.0004","15.5918","0.0003","10.3665","0.0002","90","","110.947","0.001","90","","3143.98","0.11","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","P(CH2Ad)(i-Pr)2","","","- C17 H31 P -","- C17 H31 P -","- C136 H248 P8 -","8","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","1.54178","CuKα","","0.0281","0.0269","","","0.0718","0.0726","","","","","","1.04","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102635","10.314","0.0016","12.636","0.0019","13.91","0.002","97.399","0.002","95.803","0.002","92.354","0.002","1785.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","H2IrCl(P(CH2Ad)(i-Pr)2)2","","","- C36 H69 Cl Ir O0.5 P2 -","- C34 H64 Cl Ir P2 -","- C68 H128 Cl2 Ir2 P4 -","2","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0379","0.0295","","","0.0562","0.0584","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102636","10.9025","0.0004","11.8348","0.0004","13.4097","0.0005","90","","111.181","0.002","90","","1613.35","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","H2Ir(kappa-2-C,P-(P(CH2Ad)(i-Pr)2))(P(CH2Ad)(i-Pr)2)","","","- C34 H62 Ir P2 -","- C34 H62 Ir P2 -","- C68 H124 Ir2 P4 -","2","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0304","0.0273","","","0.0641","0.0654","","","","","","1.048","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102637","10.429","0.005","13.741","0.005","13.801","0.005","116.142","0.005","90.733","0.005","105.16","0.005","1694.8","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","H2Ir(OH)(P(CH2Ad)(i-Pr)2)2","","","- C34 H65 Ir O P2 -","- C34 H65 Ir O P2 -","- C68 H130 Ir2 O2 P4 -","2","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71069","MoKα","","0.0224","0.0199","","","0.042","0.0435","","","","","","1.04","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102638","15.694","0.0009","13.116","0.0007","17.2375","0.0009","90","","102.654","0.001","90","","3462","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","HIr(N2)(P(CH2Ad)(i-Pr)2)2","","","- C34 H63 Ir N2 P2 -","- C34 H63 Ir N2 P2 -","- C136 H252 Ir4 N8 P8 -","4","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0192","0.0172","","","0.0462","0.0494","","","","","","1.014","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102639","13.1354","0.0009","11.1154","0.0008","22.907","0.0016","90","","100.983","0.001","90","","3283.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","H3Ir(P(CH2Ad)(i-Pr)2)2","","","- C34 H65 Ir P2 -","- C34 H65 Ir P2 -","- C136 H260 Ir4 P8 -","4","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0437","0.0345","","","0.0689","0.0737","","","","","","1.053","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102640","10.918","0.003","16.463","0.005","21.628","0.007","90","","90","","90","","3887","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Li(Et2O)][HIr(kappa-2-C,P-(P(CH2Ad)(i-Pr)2))(P(CH2Ad)(i-Pr)2)","","","- C38 H72 Ir Li O P2 -","- C38 H72 Ir Li O P2 -","- C152 H288 Ir4 Li4 O4 P8 -","4","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0514","0.0437","","","0.105","0.1116","","","","","","1.046","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102641","10.776","0.013","12.182","0.014","26.9","0.03","90","","98.916","0.015","90","","3489","7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","H5Ir(P(CH2Ad)(i-Pr)2)2","","","- C34 H67 Ir P2 -","- C34 H67 Ir P2 -","- C136 H268 Ir4 P8 -","4","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0683","0.0451","","","0.0945","0.1048","","","","","","1.033","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102642","13.1359","0.0011","14.0399","0.0012","15.8641","0.0014","87.976","0.001","86.669","0.001","89.379","0.001","2918.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Li(12-c-4)2][HIr(kappa-2-C,P-(P(CH2Ad)(i-Pr)2)(P(CH2Ad)(i-Pr)2)]","","","- C58 H114 Ir Li O10 P2 -","- C50 H94 Ir Li O8 P2 -","- C100 H188 Ir2 Li2 O16 P4 -","2","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0437","0.0365","","","0.0721","0.0752","","","","","","1.045","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102643","10.332","0.001","13.264","0.0012","16.494","0.0017","104.808","0.001","93.177","0.001","110.705","0.001","2017.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","H2Ir(OC6F5)(P(CH2Ad)(i-Pr)2)2","","","- C40 H64 F5 Ir O P2 -","- C40 H64 F5 Ir O P2 -","- C80 H128 F10 Ir2 O2 P4 -","2","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0331","0.0286","","","0.0754","0.0821","","","","","","1.041","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102644","6.8952","0.001","8.7695","0.0013","8.9826","0.0013","69.553","0.001","72.897","0.001","80.674","0.002","485.36","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C20 H30 N2 O4 -","2","1","","Gardner S. Creech; Ohyun Kwon","Tandem 6π-Electrocyclization and Cycloaddition of Nitrodienes to Yield Multicyclic Nitroso Acetals","Journal of the American Chemical Society","2010","132","","8876","8877","10.1021/ja1038819","","","0.71073","MoKα","","0.0423","0.0375","","","0.1037","0.1076","","","","","","1.086","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102645","7.1535","0.0013","18.602","0.003","9.932","0.0017","90","","90.295","0.002","90","","1321.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C56 H84 N4 O16 -","4","1","","Gardner S. Creech; Ohyun Kwon","Tandem 6π-Electrocyclization and Cycloaddition of Nitrodienes to Yield Multicyclic Nitroso Acetals","Journal of the American Chemical Society","2010","132","","8876","8877","10.1021/ja1038819","","","0.71073","MoKα","","0.0517","0.0384","","","0.1004","0.1081","","","","","","1.044","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102646","8.931","0.002","8.324","0.002","10.071","0.002","90","","109.397","0.003","90","","706.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","silver(I) (1-amino-2,2-dinitrovinyl)amide ammonia","","- C2 H6 Ag N5 O4 -","- C2 H6 Ag N5 O4 -","- C8 H24 Ag4 N20 O16 -","4","1","","Sonali Garg; Haixiang Gao; Young-Hyuk Joo; Damon A. Parrish; Yangen Huang; Jean'ne M. Shreeve","Taming of the Silver FOX","Journal of the American Chemical Society","2010","132","","8888","8890","10.1021/ja103935q","","","0.71073","MoKα","","0.0196","0.0192","","","0.048","0.0482","","","","","","1.303","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102647","8.3696","0.0002","11.8615","0.0003","13.5708","0.0003","100.375","0.001","97.124","0.001","104.482","0.001","1262.74","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H40 Ni O4 P2 -","- C23 H40 Ni O4 P2 -","- C46 H80 Ni2 O8 P4 -","2","1","","Sumit Chakraborty; Jie Zhang; Jeanette A. Krause; Hairong Guan","An Efficient Nickel Catalyst for the Reduction of Carbon Dioxide with a Borane","Journal of the American Chemical Society","2010","132","","8872","8873","10.1021/ja103982t","","","1.54178","CuKα","","0.0509","0.0396","","","0.1014","0.1087","","","","","","1.023","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102648","27.4021","0.0004","17.3999","0.0002","27.9819","0.0004","90","","90","","90","","13341.6","0.3","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H77 N Ni O P3 S3 Si3 -","- C68 H77 N Ni O P3 S3 Si3 -","- C544 H616 N8 Ni8 O8 P24 S24 Si24 -","8","1","","Chien-Ming Lee; Chien-Hong Chen; Fu-Xing Liao; Ching-Han Hu; Gene-Hsiang Lee","Mononuclear NiIII-Alkyl Complexes (Alkyl = Me and Et): Relevance to the Acetyl-CoA Synthase and Methyl-CoM Reductase","Journal of the American Chemical Society","2010","132","","9256","9258","10.1021/ja102430d","","","0.71073","MoKα","","0.1212","0.0516","","","0.1205","0.14","","","","","","1.066","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102649","27.4736","0.0005","17.4627","0.0003","27.9844","0.0005","90","","90","","90","","13425.9","0.4","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C69 H79 N Ni O P3 S3 Si3 -","- C69 H79 N Ni O P3 S3 Si3 -","- C552 H632 N8 Ni8 O8 P24 S24 Si24 -","8","1","","Chien-Ming Lee; Chien-Hong Chen; Fu-Xing Liao; Ching-Han Hu; Gene-Hsiang Lee","Mononuclear NiIII-Alkyl Complexes (Alkyl = Me and Et): Relevance to the Acetyl-CoA Synthase and Methyl-CoM Reductase","Journal of the American Chemical Society","2010","132","","9256","9258","10.1021/ja102430d","","","0.71073","MoKα","","0.0864","0.0506","","","0.1384","0.1574","","","","","","1.038","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102650","14.1385","0.0005","27.79","0.0008","15.1434","0.0005","90","","93.491","0.002","90","","5938.9","0.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 Cl8 N4 Ni O4 -","- C60 H54 Cl8 N4 Ni O4 -","- C240 H216 Cl32 N16 Ni4 O16 -","4","0.5","","Andrew G. Tennyson; Vincent M. Lynch; Christopher W. Bielawski","Arrested Catalysis: Controlling Kumada Coupling Activity via a Redox-Active N-Heterocyclic Carbene","Journal of the American Chemical Society","2010","132","","9420","9429","10.1021/ja102686u","","","0.71069","MoKα","","0.0504","0.0457","","","0.1179","0.122","","","","","","1.078","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102651","14.5799","0.0005","27.869","0.001","15.8661","0.0006","90","","90","","90","","6446.8","0.4","153","2","153","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C58 H52 Cl2 N4 O4 Pd -","- C58 H52 Cl2 N4 O4 Pd -","- C232 H208 Cl8 N16 O16 Pd4 -","4","0.25","","Andrew G. Tennyson; Vincent M. Lynch; Christopher W. Bielawski","Arrested Catalysis: Controlling Kumada Coupling Activity via a Redox-Active N-Heterocyclic Carbene","Journal of the American Chemical Society","2010","132","","9420","9429","10.1021/ja102686u","","","0.71073","MoKα","","0.111","0.059","","","0.1469","0.1631","","","","","","1.052","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102652","14.708","0.006","27.671","0.012","16.028","0.007","90","","90","","90","","6523","5","233","2","233","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C63 H64 Cl2 N4 O4 Pt -","- C58 H52 Cl2 N4 O4 Pt -","- C232 H208 Cl8 N16 O16 Pt4 -","4","0.25","","Andrew G. Tennyson; Vincent M. Lynch; Christopher W. Bielawski","Arrested Catalysis: Controlling Kumada Coupling Activity via a Redox-Active N-Heterocyclic Carbene","Journal of the American Chemical Society","2010","132","","9420","9429","10.1021/ja102686u","","","0.71069","MoKα","","0.0604","0.0534","","","0.1263","0.1286","","","","","","1.908","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102653","42.9245","0.0002","42.9245","0.0002","42.9245","0.0002","90","","90","","90","","79088.9","0.6","258","2","258","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","IRMOF-76","","","- C69 H45 N6 O13 Zn4 -","- C69 H51 N6 O13 Zn4 -","- C552 H408 N48 O104 Zn32 -","8","0.0416667","","Kounosuke Oisaki; Qiaowei Li; Hiroyasu Furukawa; Alexander U. Czaja; Omar M. Yaghi","A Metal-Organic Framework with Covalently Bound Organometallic Complexes","Journal of the American Chemical Society","2010","132","","9262","9264","10.1021/ja103016y","","","1.54178","CuKα","","0.1669","0.1465","","","0.4135","0.4378","","","","","","1.941","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102654","31.0845","0.0004","31.0845","0.0004","71.018","0.002","90","","90","","120","","59427","2","258","2","258","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","IRMOF-77","","","- C84 H63 I6 N9 O30 Pd3 Zn4 -","- C84 H63 I6 N9 O30 Pd3 Zn4 -","- C1008 H756 I72 N108 O360 Pd36 Zn48 -","12","0.333333","","Kounosuke Oisaki; Qiaowei Li; Hiroyasu Furukawa; Alexander U. Czaja; Omar M. Yaghi","A Metal-Organic Framework with Covalently Bound Organometallic Complexes","Journal of the American Chemical Society","2010","132","","9262","9264","10.1021/ja103016y","","","1.54178","CuKα","","0.1754","0.1033","","","0.2897","0.3399","","","","","","1.141","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102655","31.0845","0.0004","31.0845","0.0004","71.018","0.002","90","","90","","120","","59427","2","258","2","258","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","IRMOF-77squeeze","","","- C84 H63 I6 N9 O13 Pd3 Zn4 -","- C84 H63 I6 N9 O13 Pd3 Zn4 -","- C1008 H756 I72 N108 O156 Pd36 Zn48 -","12","0.333333","","Kounosuke Oisaki; Qiaowei Li; Hiroyasu Furukawa; Alexander U. Czaja; Omar M. Yaghi","A Metal-Organic Framework with Covalently Bound Organometallic Complexes","Journal of the American Chemical Society","2010","132","","9262","9264","10.1021/ja103016y","","","1.54178","CuKα","","0.107","0.056","","","0.1239","0.1389","","","","","","0.95","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102656","5.2508","0.0002","6.6452","0.0003","18.5082","0.0009","84.069","0.002","86.195","0.002","69.564","0.003","601.6","0.05","120","2","120","2","","","","","","","","3","P 1","P 1","1","","","","- C14 H16 S8 -","- C14 H16 S8 -","- C14 H16 S8 -","1","1","","José R. Galán-Mascarós; Eugenio Coronado; Paul A. Goddard; John Singleton; Amalia I. Coldea; John D. Wallis; Simon J. Coles; Antonio Alberola","A Chiral Ferromagnetic Molecular Metal","Journal of the American Chemical Society","2010","132","","9271","9273","10.1021/ja103147k","","","0.71073","MoKα","","0.0731","0.0647","","","0.1746","0.1826","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102657","12.1989","0.0006","12.711","0.0006","18.6558","0.001","81.461","0.001","70.925","0.001","76.345","0.001","2648.6","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H56 N6 O6 -","- C62 H56 N6 O6 -","- C124 H112 N12 O12 -","2","1","","Daniel M. D'Souza; David A. Leigh; Loïc Mottier; Kathleen M. Mullen; Francesco Paolucci; Simon J. Teat; Songwei Zhang","Nitrone [2]Rotaxanes: Simultaneous Chemical Protection and Electrochemical Activation of a Functional Group","Journal of the American Chemical Society","2010","132","","9465","9470","10.1021/ja1034683","","","0.71073","MoKα","","0.1423","0.0594","","","0.0941","0.1214","","","","","","0.987","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102658","14.547","0.004","11.196","0.003","16.222","0.004","90","","108.408","0.004","90","","2506.9","1.1","150","2","150","2","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 N8 O6 -","- C60 H54 N8 O6 -","- C120 H108 N16 O12 -","2","0.5","","Daniel M. D'Souza; David A. Leigh; Loïc Mottier; Kathleen M. Mullen; Francesco Paolucci; Simon J. Teat; Songwei Zhang","Nitrone [2]Rotaxanes: Simultaneous Chemical Protection and Electrochemical Activation of a Functional Group","Journal of the American Chemical Society","2010","132","","9465","9470","10.1021/ja1034683","","","0.6884","Synchrotron","","0.1499","0.1012","","0.2693","0.2311","","","","1.053","1.18","1.18","","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102659","15.331","0.002","11.1669","0.0014","18.44","0.002","90","","110.639","0.002","90","","2954.3","0.6","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H72 N10 O10 -","- C66 H68 N10 O8 -","- C132 H136 N20 O16 -","2","0.5","","Daniel M. D'Souza; David A. Leigh; Loïc Mottier; Kathleen M. Mullen; Francesco Paolucci; Simon J. Teat; Songwei Zhang","Nitrone [2]Rotaxanes: Simultaneous Chemical Protection and Electrochemical Activation of a Functional Group","Journal of the American Chemical Society","2010","132","","9465","9470","10.1021/ja1034683","","","0.71073","MoKα","","0.2759","0.0971","","","0.1735","0.2495","","","","","","1.063","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102660","9.7107","0.0004","12.3459","0.0005","20.2414","0.0008","90","","90","","90","","2426.69","0.17","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O -","- C28 H32 N2 O -","- C112 H128 N8 O4 -","4","1","","Adam R. Brown; Wen-Hsin Kuo; Eric N. Jacobsen","Enantioselective Catalytic α-Alkylation of Aldehydes via an SN1 Pathway","Journal of the American Chemical Society","2010","132","","9286","9288","10.1021/ja103618r","","x-ray","0.71073","MoKα","","0.0426","0.0393","","","0.1023","0.1054","","","","","","1.056","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102661","18.935","0.004","10.6904","0.0009","30.382","0.006","90","","103.88","0.02","90","","5970.4","1.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 F3 N3 Na Zn -","- C26 H47 F3 N3 Na Zn -","- C208 H376 F24 N24 Na8 Zn8 -","8","2","","David R. Armstrong; Victoria L. Blair; William Clegg; Sophie H. Dale; Joaquin Garcia-Alvarez; Gordon W. Honeyman; Eva Hevia; Robert E. Mulvey; Luca Russo","Structural Basis for Regioisomerization in the Alkali-Metal-Mediated Zincation (AMMZn) of Trifluoromethyl Benzene by Isolation of Kinetic and Thermodynamic Intermediates","Journal of the American Chemical Society","2010","132","","9480","9487","10.1021/ja1038598","","","0.71073","MoKα","","0.1487","0.102","","","0.1871","0.2046","","","","","","1.186","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102662","10.4379","0.0004","10.592","0.0004","17.3032","0.0007","88.91","0.003","89.721","0.003","60.559","0.002","1665.65","0.12","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C27 H54 F3 N4 Na Zn -","- C27 H54 F3 N4 Na Zn -","- C54 H108 F6 N8 Na2 Zn2 -","2","2","","David R. Armstrong; Victoria L. Blair; William Clegg; Sophie H. Dale; Joaquin Garcia-Alvarez; Gordon W. Honeyman; Eva Hevia; Robert E. Mulvey; Luca Russo","Structural Basis for Regioisomerization in the Alkali-Metal-Mediated Zincation (AMMZn) of Trifluoromethyl Benzene by Isolation of Kinetic and Thermodynamic Intermediates","Journal of the American Chemical Society","2010","132","","9480","9487","10.1021/ja1038598","","","0.71073","MoKα","","0.1003","0.0712","","","0.1874","0.2021","","","","","","1.118","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102663","11.5889","0.0007","13.1255","0.0008","11.0959","0.0006","90","","97.599","0.001","90","","1672.98","0.17","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","","Tse-Min Teng; Rai-Shung Liu","Gold-Catalyzed Stereocontrolled Oxacyclization/[4+2]-Cycloaddition Cascade of Ketone-Allene Substrates","Journal of the American Chemical Society","2010","132","","9298","9300","10.1021/ja1043837","","","0.71073","MoKα","","0.0749","0.0486","","","0.1234","0.1428","","","","","","1.025","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102664","10.7084","0.0009","16.545","0.002","16.912","0.002","116.991","0.008","99.824","0.009","94.007","0.009","2593.5","0.5","299","","299","","","","","","","","Local laboratory","7","P -1","-P 1","2","","","","- C55 H42 Cl4 Fe N5 O6 P2 -","- C55 H42 Cl4 Fe N5 O6 P2 -","- C110 H84 Cl8 Fe2 N10 O12 P4 -","2","1","","W. Chadwick Ellis; Camly T. Tran; Riddhi Roy; Marte Rusten; Andreas Fischer; Alexander D. Ryabov; Bruce Blumberg; Terrence J. Collins","Designing Green Oxidation Catalysts for Purifying Environmental Waters","Journal of the American Chemical Society","2010","132","","9774","9781","10.1021/ja102524v","","","0.71073","MoKα","","0.0888","0.0462","","","0.0957","0.1144","","","","","","1.036","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102665","13.603","0.018","26.57","0.03","17.956","0.018","90","","111.14","0.03","90","","6053","12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis-(meso-aryldibenzodipyrrin) Zn","","","- C40 H40 N4 O4 Zn -","- C35 H35 N2 O6 Zn0.5 -","- C280 H280 N16 O48 Zn4 -","8","1","","Mikhail A. Filatov; Artem Y. Lebedev; Sergei N. Mukhin; Sergei A. Vinogradov; Andrei V. Cheprakov","π-Extended Dipyrrins Capable of Highly Fluorogenic Complexation with Metal Ions","Journal of the American Chemical Society","2010","132","","9552","9554","10.1021/ja102852v","","","0.71073","MoKα","","0.1503","0.0465","","","0.1058","0.1572","","","","","","0.599","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102666","9.747","0.004","10.219","0.004","11.139","0.004","83.48","0.04","100.08","0.03","114.46","0.03","993.3","0.7","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 N2 O3 -","- C21 H28 N2 O3 -","- C42 H56 N4 O6 -","2","1","","Hirokazu Nishimaki; Takayuki Ishida","Organic Two-Step Spin-Transition-Like Behavior in a Linear S = 1 Array: 3'-Methylbiphenyl-3,5-diyl Bis(tert-butylnitroxide) and Related Compounds","Journal of the American Chemical Society","2010","132","","9598","9599","10.1021/ja102890g","","","0.71069","MoKα","","","0.0676","","","","0.1111","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102667","9.2411","0.0005","10.3875","0.0002","11.754","0.0005","110.621","0.004","96.472","0.003","112.361","0.004","936.09","0.09","116","","116","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C42 H56 N4 O4 -","2","1","","Hirokazu Nishimaki; Takayuki Ishida","Organic Two-Step Spin-Transition-Like Behavior in a Linear S = 1 Array: 3'-Methylbiphenyl-3,5-diyl Bis(tert-butylnitroxide) and Related Compounds","Journal of the American Chemical Society","2010","132","","9598","9599","10.1021/ja102890g","","","0.71069","MoKα","","","0.0595","","","","0.1195","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102668","9.435","0.0002","10.4957","0.0003","11.8671","0.0006","109.61","0.002","93.87","0.003","114.433","0.005","978.27","0.08","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C42 H56 N4 O4 -","2","1","","Hirokazu Nishimaki; Takayuki Ishida","Organic Two-Step Spin-Transition-Like Behavior in a Linear S = 1 Array: 3'-Methylbiphenyl-3,5-diyl Bis(tert-butylnitroxide) and Related Compounds","Journal of the American Chemical Society","2010","132","","9598","9599","10.1021/ja102890g","","","0.71069","MoKα","","","0.0619","","","","0.1032","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102669","22.315","0.011","22.885","0.005","27.307","0.007","110.001","0.003","105.508","0.004","99.386","0.004","12118","7","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","","","- C306 H304 N85 O169.9 Pd12 -","- C306 H304 N85 O169.9 Pd12 -","- C306 H304 N85 O169.9 Pd12 -","1","0.5","","Yoshihiro Yamauchi; Yuya Hanaoka; Michito Yoshizawa; Munetaka Akita; Takahiro Ichikawa; Masafumi Yoshio; Takashi Kato; Makoto Fujita","mxn Stacks of Discrete Aromatic Stacks in Solution","Journal of the American Chemical Society","2010","132","","9555","9557","10.1021/ja103180z","","","0.71073","MoKα","","0.2591","0.1102","","","0.3053","0.4019","","","","","","1.093","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102670","8.8298","0.0002","11.8871","0.0003","21.7347","0.0006","90","","90","","90","","2281.29","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O5 -","- C28 H27 N O5 -","- C112 H108 N4 O20 -","4","1","","Andrew T. Parsons; Austin G. Smith; Andrew J. Neel; Jeffrey S. Johnson","Dynamic Kinetic Asymmetric Synthesis of Substituted Pyrrolidines from Racemic Cyclopropanes and Aldimines: Reaction Development and Mechanistic Insights","Journal of the American Chemical Society","2010","132","","9688","9692","10.1021/ja1032277","","","1.54178","CuKα","","0.0403","0.0349","","","0.0825","0.0855","","","","","","1.088","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102671","12.5013","0.0009","6.8025","0.0005","14.8285","0.0012","90","","97.901","0.005","90","","1249.05","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 Br N2 O5 -","- C28 H26 Br N3 O5 -","- C56 H52 Br2 N6 O10 -","2","1","","Andrew T. Parsons; Austin G. Smith; Andrew J. Neel; Jeffrey S. Johnson","Dynamic Kinetic Asymmetric Synthesis of Substituted Pyrrolidines from Racemic Cyclopropanes and Aldimines: Reaction Development and Mechanistic Insights","Journal of the American Chemical Society","2010","132","","9688","9692","10.1021/ja1032277","","","1.54178","CuKα","","0.177","0.1302","","","0.3042","0.3356","","","","","","1.045","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102672","8.6183","0.0003","18.135","0.0007","24.038","0.001","90","","90","","90","","3757","0.3","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36.57 H36.28 Cl F6 N4 O4.57 S -","- C36.571 H36.284 Cl F6 N4 O4.571 S -","- C146.284 H145.136 Cl4 F24 N16 O18.284 S4 -","4","1","","Ravi P. Singh; Bruce M. Foxman; Li Deng","Asymmetric Vinylogous Aldol Reaction of Silyloxy Furans with a Chiral Organic Salt","Journal of the American Chemical Society","2010","132","","9558","9560","10.1021/ja103331t","","","0.71073","MoKα","","0.0911","0.0482","","0.1057","0.0911","0.1057","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102673","5.3946","0.0004","7.6287","0.0005","12.9305","0.0008","90","","91.456","0.003","90","","531.97","0.06","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Br O3 -","- C11 H9 Br O3 -","- C22 H18 Br2 O6 -","2","1","","Ravi P. Singh; Bruce M. Foxman; Li Deng","Asymmetric Vinylogous Aldol Reaction of Silyloxy Furans with a Chiral Organic Salt","Journal of the American Chemical Society","2010","132","","9558","9560","10.1021/ja103331t","","","0.71073","MoKα","","0.0164","0.0157","","0.04","0.0391","0.04","","","","","","1.0342","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102674","27.0052","0.0016","16.597","0.001","15.9655","0.001","90","","90.324","0.002","90","","7155.7","0.8","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H34 Cl N5 O10 -","- C39 H33 Cl N5 O10 -","- C312 H264 Cl8 N40 O80 -","8","2","","Bo Qin; Changliang Ren; Ruijuan Ye; Chang Sun; Khalid Chiad; Xiuying Chen; Zhao Li; Feng Xue; Haibin Su; Gregory A. Chass; Huaqiang Zeng","Persistently Folded Circular Aromatic Amide Pentamers Containing Modularly Tunable Cation-Binding Cavities with High Ion Selectivity","Journal of the American Chemical Society","2010","132","","9564","9566","10.1021/ja1035804","","","0.71073","MoKα","","0.1601","0.0824","","","0.2038","0.2445","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102675","11.6218","0.0011","11.9587","0.0011","45.248","0.004","90","","95.406","0.002","90","","6260.7","1","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H83 K N6 O15 -","- C60 H79 K N6 O15 -","- C240 H316 K4 N24 O60 -","4","1","","Bo Qin; Changliang Ren; Ruijuan Ye; Chang Sun; Khalid Chiad; Xiuying Chen; Zhao Li; Feng Xue; Haibin Su; Gregory A. Chass; Huaqiang Zeng","Persistently Folded Circular Aromatic Amide Pentamers Containing Modularly Tunable Cation-Binding Cavities with High Ion Selectivity","Journal of the American Chemical Society","2010","132","","9564","9566","10.1021/ja1035804","","","0.71073","MoKα","","0.1941","0.131","","","0.2694","0.304","","","","","","1.089","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102676","18.379","0.003","18.199","0.003","22.994","0.004","90","","112.896","0.003","90","","7085","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69.5 H99 B0 Cs N6 O14.5 -","- C69.5 H96 Cs N6 O14.5 -","- C278 H384 Cs4 N24 O58 -","4","1","","Bo Qin; Changliang Ren; Ruijuan Ye; Chang Sun; Khalid Chiad; Xiuying Chen; Zhao Li; Feng Xue; Haibin Su; Gregory A. Chass; Huaqiang Zeng","Persistently Folded Circular Aromatic Amide Pentamers Containing Modularly Tunable Cation-Binding Cavities with High Ion Selectivity","Journal of the American Chemical Society","2010","132","","9564","9566","10.1021/ja1035804","","","0.71073","MoKα","","0.1701","0.0967","","","0.2374","0.2854","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102677","9.661","0.004","13.796","0.005","19.08","0.007","96.296","0.005","94.822","0.003","107.981","0.006","2385.5","1.6","113","2","113","2","","","","","","","","9","P -1","-P 1","2","","","","- C47 H38 B Cl3 Cu F4 N3 O P2 -","- C47 H38 B Cl3 Cu F4 N3 O P2 -","- C94 H76 B2 Cl6 Cu2 F8 N6 O2 P4 -","2","1","","Michihiro Nishikawa; Kuniharu Nomoto; Shoko Kume; Keiichi Inoue; Makoto Sakai; Masaaki Fujii; Hiroshi Nishihara","Dual Emission Caused by Ring Inversion Isomerization of a 4-Methyl-2-pyridyl-pyrimidine Copper(I) Complex","Journal of the American Chemical Society","2010","132","","9579","9581","10.1021/ja103718e","","","0.7107","MoKα","","","0.094","","","","0.2827","","","","","","1.039","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102678","14.3648","0.0008","10.2095","0.0003","25.0281","0.0012","90","","100.934","0.002","90","","3603.9","0.3","153.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H37 Cl Ir N O P2 -","- C44 H37 Cl Ir N O P2 -","- C176 H148 Cl4 Ir4 N4 O4 P8 -","4","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Annulation of N-Arylcarbamoyl Chlorides with Internal Alkynes","Journal of the American Chemical Society","2010","132","","9602","9603","10.1021/ja104153k","","","0.7107","MoKα","","","0.0327","","","","0.0645","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102679","9.335","0.005","9.749","0.005","10.565","0.005","65.996","0.019","67.2","0.02","79.05","0.02","809.1","0.7","153.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N O -","- C22 H17 N O -","- C44 H34 N2 O2 -","2","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Annulation of N-Arylcarbamoyl Chlorides with Internal Alkynes","Journal of the American Chemical Society","2010","132","","9602","9603","10.1021/ja104153k","","","0.7107","MoKα","","","0.0656","","","","0.1732","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102680","9.177","0.002","9.864","0.002","12.207","0.003","90","","104.397","0.003","90","","1070.3","0.4","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H39 N O3 -","- C21 H39 N O3 -","- C42 H78 N2 O6 -","2","1","","Matthew A. Perry; Matthew D. Morin; Brian W. Slafer; Scott A. Wolckenhauer; Scott D. Rychnovsky","Fully Substituted Carbon Centers by Diastereoselective Spirocyclization: Stereoselective Synthesis of (+)-Lepadiformine C","Journal of the American Chemical Society","2010","132","","9591","9593","10.1021/ja104250b","","","0.71073","MoKα","","0.0614","0.0535","","","0.142","0.1513","","","","","","1.044","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102681","12.5919","0.0003","12.5919","0.0003","8.2015","0.0002","90","","90","","120","","1126.18","0.05","110","","110","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C18 H42 N6 O36 Zn6 -","6","1","","Guan-Cheng Xu; Xiao-Ming Ma; Li Zhang; Zhe-Ming Wang; Song Gao","Disorder-Order Ferroelectric Transition in the Metal Formate Framework of [NH4][Zn(HCOO)3]","Journal of the American Chemical Society","2010","132","","9588","9590","10.1021/ja104263m","","","0.71073","MoKα","","0.0729","0.0306","","","0.076","0.0855","","","","","","0.907","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102682","7.3084","0.0002","7.3084","0.0002","8.1705","0.0003","90","","90","","120","","377.94","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H7.02 N O6 Zn -","- C6 H14.04 N2 O12 Zn2 -","2","0.166667","","Guan-Cheng Xu; Xiao-Ming Ma; Li Zhang; Zhe-Ming Wang; Song Gao","Disorder-Order Ferroelectric Transition in the Metal Formate Framework of [NH4][Zn(HCOO)3]","Journal of the American Chemical Society","2010","132","","9588","9590","10.1021/ja104263m","","","0.71073","MoKα","","0.022","0.0191","","","0.0444","0.0453","","","","","","1.08","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102683","8.3421","0.0005","8.7999","0.0005","22.1725","0.0012","90","","90","","90","","1627.68","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O -","- C19 H28 N2 O -","- C76 H112 N8 O4 -","4","1","","Brian B. Liau; Matthew D. Shair","Total Synthesis of (+)-Fastigiatine","Journal of the American Chemical Society","2010","132","","9594","9595","10.1021/ja104575h","","","0.71073","MoKα","","0.0366","0.0356","","","0.0929","0.0938","","","","","","1.059","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102684","8.6005","0.0009","11.1107","0.0009","17.6351","0.0014","93.141","0.005","94.58","0.005","111.857","0.005","1552.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H2 B F25 -","- C34 H2 B F25 -","- C68 H4 B2 F50 -","2","1","","Cheng Fan; Lauren G. Mercier; Warren E. Piers; Heikki M. Tuononen; Masood Parvez","Dihydrogen Activation by Antiaromatic Pentaarylboroles","Journal of the American Chemical Society","2010","132","","9604","9606","10.1021/ja105075h","","","1.54178","CuKα","","0.0626","0.0572","","","0.1704","0.1732","","","","","","1.102","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102685","10.1608","0.0001","11.1669","0.0001","34.7339","0.0005","90","","90","","90","","3941.07","0.08","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H7 B Cl2 D2 F25 N -","- C40 H9 B Cl2 F25 N -","- C160 H36 B4 Cl8 F100 N4 -","4","1","","Cheng Fan; Lauren G. Mercier; Warren E. Piers; Heikki M. Tuononen; Masood Parvez","Dihydrogen Activation by Antiaromatic Pentaarylboroles","Journal of the American Chemical Society","2010","132","","9604","9606","10.1021/ja105075h","","","0.71073","MoKα","","0.0383","0.0374","","","0.1065","0.1079","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102686","12.052","0.007","10.973","0.005","8.45","0.004","90","","110.181","0.006","90","","1048.9","0.9","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Yandong Zhang; Samuel J. Danishefsky","Total Synthesis of (\±)-Aplykurodinone-1: Traceless Stereochemical Guidance","Journal of the American Chemical Society","2010","132","","9928","9928","10.1021/ja105280j","","","0.71073","MoKα","","0.1436","0.0698","","","0.1607","0.2051","","","","","","1.074","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102687","9.9972","0.0006","6.5178","0.0004","35.853","0.002","90","","92.265","0.001","90","","2334.3","0.2","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H40 O4 Si -","- C23 H40 O4 Si -","- C92 H160 O16 Si4 -","4","1","","Yandong Zhang; Samuel J. Danishefsky","Total Synthesis of (\±)-Aplykurodinone-1: Traceless Stereochemical Guidance","Journal of the American Chemical Society","2010","132","","9928","9928","10.1021/ja105280j","","","0.71073","MoKα","","0.0848","0.0482","","","0.1057","0.1216","","","","","","1","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102688","10.946","0.0016","15.7","0.002","10.6744","0.0016","90","","112.131","0.002","90","","1699.3","0.4","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Yandong Zhang; Samuel J. Danishefsky","Total Synthesis of (\±)-Aplykurodinone-1: Traceless Stereochemical Guidance","Journal of the American Chemical Society","2010","132","","9928","9928","10.1021/ja105280j","","","0.71073","MoKα","","0.0852","0.0499","","","0.1161","0.1323","","","","","","1.031","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102689","13.9335","0.0014","6.1672","0.0006","21.725","0.002","90","","95.724","0.002","90","","1857.5","0.3","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O5 S -","- C19 H24 N2 O5 S -","- C76 H96 N8 O20 S4 -","4","1","","Yandong Zhang; Samuel J. Danishefsky","Total Synthesis of (\±)-Aplykurodinone-1: Traceless Stereochemical Guidance","Journal of the American Chemical Society","2010","132","","9928","9928","10.1021/ja105280j","","","0.71073","MoKα","","0.0738","0.0437","","","0.0953","0.1079","","","","","","1.016","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102690","9.304","0.006","24.02","0.015","27.949","0.018","90","","90","","90","","6246","7","283","2","283","2","","","","","","","","6","P c 21 b","P -2bc -2c","29","","","","- C61 H77 Br2 Fe N P2 -","- C61 H77 Br2 Fe N P2 -","- C244 H308 Br8 Fe4 N4 P8 -","4","1","","Yumiko Nakajima; Yoshihide Nakao; Shigeyoshi Sakaki; Yoshinori Tamada; Teruo Ono; Fumiyuki Ozawa","Electronic Structure of Four-Coordinate Iron(I) Complex Supported by a Bis(phosphaethenyl)pyridine Ligand","Journal of the American Chemical Society","2010","132","","9934","9936","10.1021/ja102009n","","","0.7107","MoKα","","0.2277","0.1064","","","0.2273","0.2968","","","","","","0.947","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102691","10.8824","0.0002","21.4579","0.0005","24.1065","0.0006","90","","90","","90","","5629.2","0.2","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H81 Br Fe N O P2 -","- C59 H81 Br Fe N O P2 -","- C236 H324 Br4 Fe4 N4 O4 P8 -","4","1","","Yumiko Nakajima; Yoshihide Nakao; Shigeyoshi Sakaki; Yoshinori Tamada; Teruo Ono; Fumiyuki Ozawa","Electronic Structure of Four-Coordinate Iron(I) Complex Supported by a Bis(phosphaethenyl)pyridine Ligand","Journal of the American Chemical Society","2010","132","","9934","9936","10.1021/ja102009n","","","0.71069","MoKα","","0.1165","0.0615","","","0.1008","0.1179","","","","","","1.01","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102692","10.5113","0.0008","18.911","0.0019","25.711","0.002","90","","92.062","0.002","90","","5107.5","0.8","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H63 B N2 Ni O P2 -","- C58 H63 B N2 Ni O P2 -","- C232 H252 B4 N8 Ni4 O4 P8 -","4","1","","Yasuhiro Hirata; Akira Yada; Eiji Morita; Yoshiaki Nakao; Tamejiro Hiyama; Masato Ohashi; Sensuke Ogoshi","Nickel/Lewis Acid-Catalyzed Cyanoesterification and Cyanocarbamoylation of Alkynes","Journal of the American Chemical Society","2010","132","","10070","10077","10.1021/ja102346v","","","0.71075","MoKα","","0.0838","0.0425","","","0.0834","0.1039","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102693","28.054","0.002","15.6168","0.0011","22.3246","0.0016","90","","108.859","0.001","90","","9255.7","1.1","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H40 I10 O15 Si10 -","- C60 H40 I10 O15 Si10 -","- C240 H160 I40 O60 Si40 -","4","0.5","","M. F. Roll; J. W. Kampf; Y. Kim; E. Yi; R. M. Laine","Nano Building Blocks via Iodination of [PhSiO1.5]n, Forming [p-I-C6H4SiO1.5]n (n = 8, 10, 12), and a New Route to High-Surface-Area, Thermally Stable, Microporous Materials via Thermal Elimination of I2","Journal of the American Chemical Society","2010","132","","10171","10183","10.1021/ja102453s","","","0.71073","MoKα","","0.0492","0.0461","","","0.1152","0.117","","","","","","1.058","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102694","32.082","0.009","14.704","0.004","28.755","0.008","90","","118.438","0.004","90","","11928","6","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H88 I12 O18 Si12 -","- C104 H88 I12 O18 Si12 -","- C416 H352 I48 O72 Si48 -","4","0.5","","M. F. Roll; J. W. Kampf; Y. Kim; E. Yi; R. M. Laine","Nano Building Blocks via Iodination of [PhSiO1.5]n, Forming [p-I-C6H4SiO1.5]n (n = 8, 10, 12), and a New Route to High-Surface-Area, Thermally Stable, Microporous Materials via Thermal Elimination of I2","Journal of the American Chemical Society","2010","132","","10171","10183","10.1021/ja102453s","","","0.71073","MoKα","","0.1064","0.0919","","","0.2732","0.2885","","","","","","1.093","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102695","12.5377","0.0009","24.6836","0.0017","35.061","0.002","72.706","0.0001","80.434","0.0001","81.395","0.0001","10157.9","1.2","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C67 H58 O15 Si10 -","- C67 H58 O15 Si10 -","- C402 H348 O90 Si60 -","6","3","","M. F. Roll; J. W. Kampf; Y. Kim; E. Yi; R. M. Laine","Nano Building Blocks via Iodination of [PhSiO1.5]n, Forming [p-I-C6H4SiO1.5]n (n = 8, 10, 12), and a New Route to High-Surface-Area, Thermally Stable, Microporous Materials via Thermal Elimination of I2","Journal of the American Chemical Society","2010","132","","10171","10183","10.1021/ja102453s","","","0.71073","MoKα","","0.0561","0.0411","","","0.1001","0.1094","","","","","","1.014","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102696","17.158","0.002","18.8062","0.0018","20.0326","0.0019","74.075","0.003","89.79","0.004","71.856","0.003","5883.2","1.1","93.1","","93.1","","","","","","","","","7","P -1","-P 1","2","","","","- C204 H146 F24 N30 O34 Pd2 S4 -","- C204 H142 F24 N30 O34 Pd2 S4 -","- C204 H142 F24 N30 O34 Pd2 S4 -","1","0.5","","Guido H. Clever; Shohei Tashiro; Mitsuhiko Shionoya","Light-Triggered Crystallization of a Molecular Host-Guest Complex","Journal of the American Chemical Society","2010","132","","9973","9975","10.1021/ja103620z","","","0.71075","MoKα","","","0.1794","","","","0.4945","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102697","15.3688","0.0005","23.8539","0.001","24.8502","0.001","90","","90","","90","","9110.2","0.6","123.1","","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C119 H84 Cl2 Fe2 N6 O4 -","- C119 H84 Cl2 Fe2 N6 O4 -","- C476 H336 Cl8 Fe8 N24 O16 -","4","1","","Tatsuhiko Honda; Tatsuaki Nakanishi; Kei Ohkubo; Takahiko Kojima; Shunichi Fukuzumi","Structure and Photoinduced Electron Transfer Dynamics of a Series of Hydrogen-Bonded Supramolecular Complexes Composed of Electron Donors and a Saddle-Distorted Diprotonated Porphyrin","Journal of the American Chemical Society","2010","132","","10155","10163","10.1021/ja103889f","","","0.7107","MoKα","","","0.0693","","","","0.1922","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102698","20.81","0.004","9.6243","0.0019","33.923","0.007","90","","104.28","0.03","90","","6584","2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H40 F6 N2 Si -","- C35 H40 F6 N2 Si -","- C280 H320 F48 N16 Si8 -","8","1","","Anukul Jana; Prinson P. Samuel; Gašper Tavčar; Herbert W. Roesky; Carola Schulzke","Selective Aromatic C-F and C-H Bond Activation with Silylenes of Different Coordinate Silicon","Journal of the American Chemical Society","2010","132","","10164","10170","10.1021/ja103988d","","","0.71073","MoKα","","0.0515","0.035","","","0.0772","0.0818","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102699","9.785","0.002","9.976","0.002","13.842","0.003","89.57","0.03","82.58","0.03","89.18","0.03","1339.7","0.5","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Cl F8 N2 Si -","- C22 H23 Cl F8 N2 Si -","- C44 H46 Cl2 F16 N4 Si2 -","2","1","","Anukul Jana; Prinson P. Samuel; Gašper Tavčar; Herbert W. Roesky; Carola Schulzke","Selective Aromatic C-F and C-H Bond Activation with Silylenes of Different Coordinate Silicon","Journal of the American Chemical Society","2010","132","","10164","10170","10.1021/ja103988d","","","0.71073","MoKα","","0.1125","0.0832","","","0.221","0.2396","","","","","","1.038","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102700","9.832","0.002","10.142","0.002","14.53","0.003","88.37","0.03","88.69","0.03","71.03","0.03","1369.5","0.5","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H31 Cl F5 N3 Si -","- C27 H31 Cl F5 N3 Si -","- C54 H62 Cl2 F10 N6 Si2 -","2","1","","Anukul Jana; Prinson P. Samuel; Gašper Tavčar; Herbert W. Roesky; Carola Schulzke","Selective Aromatic C-F and C-H Bond Activation with Silylenes of Different Coordinate Silicon","Journal of the American Chemical Society","2010","132","","10164","10170","10.1021/ja103988d","","","0.71073","MoKα","","0.0803","0.055","","","0.1416","0.1493","","","","","","1.065","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102701","9.5252","0.0019","17.166","0.003","10.174","0.002","90","","93.36","0.03","90","","1660.7","0.6","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H41 F5 N2 Si -","- C35 H41 F5 N2 Si -","- C70 H82 F10 N4 Si2 -","2","1","","Anukul Jana; Prinson P. Samuel; Gašper Tavčar; Herbert W. Roesky; Carola Schulzke","Selective Aromatic C-F and C-H Bond Activation with Silylenes of Different Coordinate Silicon","Journal of the American Chemical Society","2010","132","","10164","10170","10.1021/ja103988d","","","0.71073","MoKα","","0.0482","0.0432","","","0.1062","0.1087","","","","","","1.072","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102702","3.8197","0.0001","3.8197","0.0001","6.2587","0.0002","90","","90","","90","","91.315","0.004","250","2","250","2","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","Iron Telluride","Iron Telluride","","- Fe1.12 Te -","- Fe1.119 Te -","- Fe2.238 Te2 -","2","0.125","","Efrain E. Rodriguez; Peter Zavalij; Ping-Yen Hsieh; Mark A. Green","Iodine as an Oxidant in the Topotactic Deintercalation of Interstitial Iron in Fe1+xTe","Journal of the American Chemical Society","2010","132","","10006","10008","10.1021/ja104004t","","","0.71073","MoKα","","0.0092","0.0092","","","0.0217","0.0217","","","","","","1.001","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102703","3.8139","0.0003","3.8139","0.0003","6.2631","0.0009","90","","90","","90","","91.102","0.017","250","2","250","2","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","Iron telluride","Iron telluride","","- Fe1.095 Te -","- Fe1.095 Te -","- Fe2.19 Te2 -","2","0.125","","Efrain E. Rodriguez; Peter Zavalij; Ping-Yen Hsieh; Mark A. Green","Iodine as an Oxidant in the Topotactic Deintercalation of Interstitial Iron in Fe1+xTe","Journal of the American Chemical Society","2010","132","","10006","10008","10.1021/ja104004t","","","0.71073","MoKα","","0.0117","0.0117","","","0.0258","0.0258","","","","","","1","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102704","32.472","0.002","6.2695","0.0007","36.429","0.002","90","","95.889","0.002","90","","7377.2","1","153","2","153","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H36 Ag Cl N2 S4 -","- C39 H36 Ag Cl N2 S4 -","- C312 H288 Ag8 Cl8 N16 S32 -","8","1","","Adam B. Powell; Christopher W. Bielawski; Alan H. Cowley","Design, Synthesis, and Study of Main Chain Poly(N-Heterocyclic Carbene) Complexes: Applications in Electrochromic Devices","Journal of the American Chemical Society","2010","132","","10184","10194","10.1021/ja104051x","","","0.71069","MoKα","","0.1067","0.0593","","","0.1258","0.1431","","","","","","1.226","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102705","11.495","0.003","13.381","0.003","14.703","0.004","103.717","0.005","92.327","0.006","101.007","0.006","2147.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H47 Ag N2 O3 S4 -","- C41 H39 Ag N2 O2 S4 -","- C82 H78 Ag2 N4 O4 S8 -","2","1","","Adam B. Powell; Christopher W. Bielawski; Alan H. Cowley","Design, Synthesis, and Study of Main Chain Poly(N-Heterocyclic Carbene) Complexes: Applications in Electrochromic Devices","Journal of the American Chemical Society","2010","132","","10184","10194","10.1021/ja104051x","","","0.71069","MoKα","","0.0983","0.0756","","","0.1838","0.1986","","","","","","1.16","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102706","14.114","0.003","26.755","0.006","10.005","0.002","90","","107.286","0.006","90","","3607.4","1.3","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 N2 S5 -","- C39 H36 N2 S5 -","- C156 H144 N8 S20 -","4","1","","Adam B. Powell; Christopher W. Bielawski; Alan H. Cowley","Design, Synthesis, and Study of Main Chain Poly(N-Heterocyclic Carbene) Complexes: Applications in Electrochromic Devices","Journal of the American Chemical Society","2010","132","","10184","10194","10.1021/ja104051x","","","0.71069","MoKα","","0.1361","0.0678","","","0.1364","0.1622","","","","","","1.098","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102707","11.4299","0.0009","12.082","0.001","15.5","0.0013","106.613","0.001","100.313","0.002","90.68","0.002","2013.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H59 Cl2 N3 Si -","- C44 H59 Cl2 N3 Si -","- C88 H118 Cl4 N6 Si2 -","2","1","","Rajendra S. Ghadwal; Herbert W. Roesky; Markus Granitzka; Dietmar Stalke","A Facile Route to Functionalized N-Heterocyclic Carbenes (NHCs) with NHC Base-Stabilized Dichlorosilylene","Journal of the American Chemical Society","2010","132","","10018","10020","10.1021/ja104386g","","","0.71073","MoKα","","0.0538","0.0378","","","0.0843","0.0918","","","","","","1.018","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102708","11.9004","0.0015","15.3835","0.0019","15.9396","0.0019","76.172","0.002","73.774","0.002","69.913","0.002","2598.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57.5 H77.25 Cl2 N6 Si -","- C57.5 H77.16 Cl2 N6 Si -","- C115 H154.32 Cl4 N12 Si2 -","2","1","","Rajendra S. Ghadwal; Herbert W. Roesky; Markus Granitzka; Dietmar Stalke","A Facile Route to Functionalized N-Heterocyclic Carbenes (NHCs) with NHC Base-Stabilized Dichlorosilylene","Journal of the American Chemical Society","2010","132","","10018","10020","10.1021/ja104386g","","","0.71073","MoKα","","0.1069","0.0615","","","0.1409","0.1631","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102709","7.794","0.003","21.889","0.007","8.579","0.003","90","","92.618","0.006","90","","1462.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 B10 O -","- C9 H18 B10 O -","- C36 H72 B40 O4 -","4","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0824","0.0589","","","0.1653","0.1903","","","","","","1.078","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102710","7.8439","0.0007","9.9497","0.0009","11.2367","0.0011","101.613","0.002","108.27","0.002","100.565","0.002","786.55","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C20 H40 B20 O2 -","2","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0495","0.0453","","","0.1289","0.1341","","","","","","1.066","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102711","6.9769","0.0002","12.9283","0.0004","17.4054","0.0005","90","","94.134","0.001","90","","1565.87","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0555","0.0486","","","0.1501","0.1651","","","","","","1.07","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102712","14.6074","0.0011","18.193","0.0014","14.4027","0.001","90","","97.537","0.001","90","","3794.5","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H26 B10 O -","- C13 H26 B10 O -","- C104 H208 B80 O8 -","8","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0842","0.0618","","","0.1779","0.2061","","","","","","1.023","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102713","9.776","0.002","12.704","0.003","21.986","0.005","90","","90","","90","","2730.5","1.1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C72 H144 B80 -","8","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0902","0.0636","","","0.1623","0.191","","","","","","1.039","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102714","6.9669","0.0003","12.1166","0.0006","9.4462","0.0004","90","","90.395","0.001","90","","797.38","0.06","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H22 B10 O -","- C11 H22 B10 O -","- C22 H44 B20 O2 -","2","0.5","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0627","0.0525","","","0.1544","0.1662","","","","","","1.044","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102715","32.546","0.003","6.9766","0.0006","11.6982","0.001","90","","90","","90","","2656.2","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H16 B10 O -","- C8 H16 B10 O -","- C64 H128 B80 O8 -","8","2","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.1238","0.087","","","0.2239","0.2611","","","","","","1.027","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102716","18.488","0.002","6.9305","0.0007","22.339","0.003","90","","91.126","0.002","90","","2861.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 B10 O -","- C9 H18 B10 O -","- C72 H144 B80 O8 -","8","2","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0933","0.0851","","","0.2574","0.265","","","","","","1.117","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102717","10.9774","0.0004","19.1174","0.0006","27.1633","0.001","90","","90","","90","","5700.5","0.3","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","2.2MeOH.Et2O","Bis{η^3^-μ~3~-1,3-bis[(2-pyridyl-1κN)methyl]- 1<i>H</i>-imidazol-2-ylidene-2κC}bis(methanol-1κO)dicopper(I) gold(I) 2(<i>Au</i>—<i>Cu</i>) tris(hexafluorophosphate) methanol disolvate (diethyl ether) disolvate","","- C42 H64 Au Cu2 F18 N8 O6 P3 -","- C42 H64 Au Cu2 F18 N8 O6 P3 -","- C168 H256 Au4 Cu8 F72 N32 O24 P12 -","4","0.5","","Christoph E. Strasser; Vincent J. Catalano","""On-Off"" Au(I)...Cu(I) Interactions in a Au(NHC)2 Luminescent Vapochromic Sensor","Journal of the American Chemical Society","2010","132","","10009","10011","10.1021/ja104585q","","","0.71073","MoKα","","0.072","0.0388","","","0.082","0.0964","","","","","","1.03","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102718","11.9958","0.0002","19.8135","0.0005","12.3023","0.0002","90","","106.354","0.001","90","","2805.69","0.1","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","1.2AN","Tetrakis(acetonitrile-1κN)bis{η^3^-μ~3~-1,3-bis[(2-pyridyl-1κN)methyl]- 1<i>H</i>-imidazol-2-ylidene-2κC}dicopper(I) gold(I) tris(hexafluorophosphate) acetonitrile disolvate","","- C42 H46 Au Cu2 F18 N14 P3 -","- C42 H46 Au Cu2 F18 N14 P3 -","- C84 H92 Au2 Cu4 F36 N28 P6 -","2","0.5","","Christoph E. Strasser; Vincent J. Catalano","""On-Off"" Au(I)...Cu(I) Interactions in a Au(NHC)2 Luminescent Vapochromic Sensor","Journal of the American Chemical Society","2010","132","","10009","10011","10.1021/ja104585q","","","0.71073","MoKα","","0.0565","0.041","","","0.1023","0.1104","","","","","","1.04","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102719","11.59","0.002","11.98","0.002","15.519","0.003","68.36","0.003","70.878","0.003","73.439","0.003","1859","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(Ar[Np]N)2(k2-CH2CMe2CH2NAr)TaH","","","- C39 H60 N3 Ta -","- C39 H60 N3 Ta -","- C78 H120 N6 Ta2 -","2","1","","Matthew A. Rankin; Christopher C. Cummins","Carbon Dioxide Reduction by Terminal Tantalum Hydrides: Formation and Isolation of Bridging Methylene Diolate Complexes","Journal of the American Chemical Society","2010","132","","10021","10023","10.1021/ja104761n","","","0.71073","MoKα","","0.0402","0.0331","","","0.0763","0.0795","","","","","","1.044","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102720","11.032","0.0008","11.1702","0.0008","17.121","0.0012","79.09","0.001","85.127","0.001","66.34","0.001","1897.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(Ar[Np]N)2(eta2-tBuC(H)NAr)TaH","","","- C39 H60 N3 Ta -","- C39 H60 N3 Ta -","- C78 H120 N6 Ta2 -","2","1","","Matthew A. Rankin; Christopher C. Cummins","Carbon Dioxide Reduction by Terminal Tantalum Hydrides: Formation and Isolation of Bridging Methylene Diolate Complexes","Journal of the American Chemical Society","2010","132","","10021","10023","10.1021/ja104761n","","","0.71073","MoKα","","0.0207","0.0192","","","0.0469","0.0477","","","","","","1.068","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102721","18.7446","0.0014","38.429","0.003","12.6441","0.0009","90","","104.354","0.001","90","","8823.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Ar[Np]N)2(tBuC(H)NAr)TaOCH2OTi(N[tBu]Ar)3","","","- C88.5 H145 N6 O2 Ta Ti -","- C78.5 H121 N6 O2 Ta Ti -","- C314 H484 N24 O8 Ta4 Ti4 -","4","1","","Matthew A. Rankin; Christopher C. Cummins","Carbon Dioxide Reduction by Terminal Tantalum Hydrides: Formation and Isolation of Bridging Methylene Diolate Complexes","Journal of the American Chemical Society","2010","132","","10021","10023","10.1021/ja104761n","","","0.71073","MoKα","","0.0597","0.05","","","0.1097","0.1129","","","","","","1.174","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102722","11.568","0.004","11.803","0.004","16.103","0.005","70.272","0.005","69.376","0.005","73.329","0.005","1901.4","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[(Ar[Np]N)2(k2-CH2C(Me)2CH2NAr)Ta]2(OCH2O)","","","- C79 H120 N6 O2 Ta2 -","- C79 H120 N6 O2 Ta2 -","- C79 H120 N6 O2 Ta2 -","1","0.5","","Matthew A. Rankin; Christopher C. Cummins","Carbon Dioxide Reduction by Terminal Tantalum Hydrides: Formation and Isolation of Bridging Methylene Diolate Complexes","Journal of the American Chemical Society","2010","132","","10021","10023","10.1021/ja104761n","","","0.71073","MoKα","","0.0854","0.0613","","","0.1438","0.1587","","","","","","1.016","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102723","10.7775","0.0012","13.8137","0.0015","15.7172","0.0017","86.206","0.002","72.564","0.002","77.292","0.002","2177.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(Ar[CH2tBu]N)2(C(H)tBuNAr)TaOC(H)NtBu","","","- C44 H69 N4 O Ta -","- C44 H69 N4 O Ta -","- C88 H138 N8 O2 Ta2 -","2","1","","Matthew A. Rankin; Christopher C. Cummins","Carbon Dioxide Reduction by Terminal Tantalum Hydrides: Formation and Isolation of Bridging Methylene Diolate Complexes","Journal of the American Chemical Society","2010","132","","10021","10023","10.1021/ja104761n","","","0.71073","MoKα","","0.0284","0.024","","","0.0549","0.0574","","","","","","1.053","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102724","15.3854","0.001","16.3025","0.0011","19.3888","0.0013","105.013","0.001","104.938","0.001","100.622","0.001","4371","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(Ar[CH2tBu]N)2(eta2-ArNCHtBu)TaOCH2OtBu","","","- C44 H70 N3 O2 Ta -","- C44 H70 N3 O2 Ta -","- C176 H280 N12 O8 Ta4 -","4","2","","Matthew A. Rankin; Christopher C. Cummins","Carbon Dioxide Reduction by Terminal Tantalum Hydrides: Formation and Isolation of Bridging Methylene Diolate Complexes","Journal of the American Chemical Society","2010","132","","10021","10023","10.1021/ja104761n","","","0.71073","MoKα","","0.0748","0.0426","","","0.0781","0.0919","","","","","","1.031","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102725","15.6211","0.0015","16.9965","0.0016","18.8231","0.0017","98.56","0.002","108.486","0.002","95.273","0.002","4635.1","0.8","153","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C94.5 H88 Cl8 F6 N8 O1.5 P Ru -","- C94.576 H92 Cl7.848 F6 N8 O1.576 P Ru -","- C189.152 H184 Cl15.696 F12 N16 O3.152 P2 Ru2 -","2","1","","Shigeru Yamaguchi; Hiroshi Shinokubo; Atsuhiro Osuka","η2-Porphyrin Ru(II) π Complexes","Journal of the American Chemical Society","2010","132","","9992","9993","10.1021/ja104842h","","","0.71073","MoKα","","0.0931","0.0814","","","0.232","0.2459","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102726","16.015","0.005","16.55","0.005","20.775","0.005","66.592","0.005","71.642","0.005","75.795","0.005","4750","2","90","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H108 Cl3 N7 O4 Ru -","- C99 H108 Cl3 N7 O4 Ru -","- C198 H216 Cl6 N14 O8 Ru2 -","2","1","","Shigeru Yamaguchi; Hiroshi Shinokubo; Atsuhiro Osuka","η2-Porphyrin Ru(II) π Complexes","Journal of the American Chemical Society","2010","132","","9992","9993","10.1021/ja104842h","","","0.71069","MoKα","","0.117","0.0902","","","0.2264","0.2467","","","","","","1.113","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102727","26.376","0.003","7.7075","0.0008","19.705","0.002","90","","99.155","0.002","90","","3954.9","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Fe2 S -","- C24 H22 Fe2 S -","- C192 H176 Fe16 S8 -","8","1","","Yu Li; Mira Josowicz; Laren M. Tolbert","Diferrocenyl Molecular Wires. The Role of Heteroatom Linkers","Journal of the American Chemical Society","2010","132","","10374","10382","10.1021/ja101585z","","","0.71073","MoKα","","0.044","0.0367","","","0.0881","0.0925","","","","","","1.044","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102728","7.519","0.003","23.234","0.009","28.731","0.011","90","","90","","90","","5019","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Fe2 P S -","- C30 H27 Fe2 P S -","- C240 H216 Fe16 P8 S8 -","8","2","","Yu Li; Mira Josowicz; Laren M. Tolbert","Diferrocenyl Molecular Wires. The Role of Heteroatom Linkers","Journal of the American Chemical Society","2010","132","","10374","10382","10.1021/ja101585z","","","0.71073","MoKα","","0.1073","0.0943","","","0.2066","0.2146","","","","","","1.041","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102729","4.755","0.0013","36.91","0.01","7.954","0.002","90","0.004","105.846","0.004","90","0.004","1342.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C6-BDTEs","C6-BDTEs","","- C28 H30 N2 O4 S2 -","- C28 H30 N2 O4 S2 -","- C56 H60 N4 O8 S4 -","2","0.5","","Yuki Suzuki; Eigo Miyazaki; Kazuo Takimiya","((Alkyloxy)carbonyl)cyanomethylene-Substituted Thienoquinoidal Compounds: a New Class of Soluble n-Channel Organic Semiconductors for Air-Stable Organic Field-Effect Transistors","Journal of the American Chemical Society","2010","132","","10453","10466","10.1021/ja103171y","","","0.7107","MoKα","","0.1328","0.0816","","","0.2061","0.2409","","","","","","0.998","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102730","19.87","0.005","15.248","0.005","15.184","0.005","90","0.005","106.185","0.005","90","0.005","4418","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H50 F12 N6 P2 -","- C45 H50 F12 N6 P2 -","- C180 H200 F48 N24 P8 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.71069","MoKα","","0.1223","0.0769","","","0.176","0.1976","","","","","","1.016","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102731","8.11","0.008","23.628","0.01","15.194","0.007","90","","99.38","0.05","90","","2873","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 F12 N4 P2 -","- C26 H30 F12 N4 P2 -","- C104 H120 F48 N16 P8 -","4","1","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.71073","MoKα","","0.1044","0.0477","","","0.0647","0.0708","","","","","","0.82","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102732","8.6232","0.0004","11.1678","0.0007","19.3842","0.0011","92.748","0.005","93.376","0.004","90.305","0.004","1861.3","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H41 N3 O6 S2 -","- C44 H41 N3 O6 S2 -","- C88 H82 N6 O12 S4 -","2","1","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.71073","MoKα","","0.0751","0.0408","","","0.0901","0.1022","","","","","","0.946","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102733","8.3822","0.0004","11.8966","0.0006","16.7255","0.0008","97.812","0.004","99.103","0.004","104.236","0.004","1569.42","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 F12 N3 O P2 -","- C29 H35 F12 N3 O P2 -","- C58 H70 F24 N6 O2 P4 -","2","1","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.71073","MoKα","","0.0758","0.0405","","","0.093","0.1064","","","","","","0.947","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102734","7.886","0.001","8.897","0.001","25.061","0.003","84.486","0.011","86.213","0.011","65.61","0.016","1593.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 F12 N4 P2 -","- C30 H34 F12 N4 P2 -","- C60 H68 F24 N8 P4 -","2","1","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.71069","MoKα","","0.151","0.049","","","0.0615","0.0782","","","","","","0.785","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102735","18.315","0.002","16.102","0.001","15.462","0.001","90","","103.33","0.01","90","","4437","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 F6 N6 O6 S2 -","- C46 H48 F6 N6 O6 S2 -","- C184 H192 F24 N24 O24 S8 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.71073","MoKα","","0.1431","0.1053","","","0.2963","0.3305","","","","","","1.27","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102736","10.31","0.004","35.917","0.014","12.402","0.005","90","","90","","90","","4593","3","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C53 H54 N4 O8 S2 -","- C53 H54 N4 O8 S2 -","- C212 H216 N16 O32 S8 -","4","","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.71073","MoKα","","0.1239","0.0995","","","0.2342","0.2494","","","","","","1.091","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102737","10.055","0.005","12.875","0.007","37.899","0.019","90","","90","","90","","4906","4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C57 H58 N4 O8 S2 -","- C57 H58 N4 O8 S2 -","- C228 H232 N16 O32 S8 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.6933","synchrotron","","0.137","0.1143","","","0.2491","0.2598","","","","","","1.131","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102738","33.971","0.003","8.5208","0.0009","20.299","0.002","90","","124.043","0.001","90","","4868.8","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H60 F12 N4 O2 P2 -","- C51 H60 F12 N4 O2 P2 -","- C204 H240 F48 N16 O8 P8 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.6933","synchrotron","","0.0677","0.0447","","","0.109","0.1208","","","","","","1.027","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102739","25.1611","0.0005","12.70129","0.00013","11.60014","0.00008","90","","90","","90","","3707.15","0.09","","","","","","","","","","","","3","P m m m","-P 2 2","47","","","","- Ge0.74 O5.57 Si1.76 -","- Ge0.743167 O5.57217 Si1.75683 -","- Ge17.836 O133.732 Si42.164 -","24","3","","Mathias Dodin; Jean-Louis Paillaud; Yannnick Lorgouilloux; Philippe Caullet; Erik Elkaïm; Nicolas Bats","A Zeolitic Material with a Three-Dimensional Pore System Formed by Straight 12- and 10-Ring Channels Synthesized with an Imidazolium Derivative as Structure-Directing Agent","Journal of the American Chemical Society","2010","132","","10221","10223","10.1021/ja103648k","powder diffraction","x-ray","0.7294","","","","","","","","","0.10927","","1.03","","","","","","","has coordinates,has Fobs","178773","2020-10-21","18:00:00",""
"4102740","10.9272","0.0002","18.3875","0.0004","17.9123","0.0004","90","","92.9509","0.0011","90","","3594.24","0.13","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ti(N2NMe)(NNPh2)(bipy)","","- C33 H47 N7 Si2 Ti -","- C33 H47 N7 Si2 Ti -","- C132 H188 N28 Si8 Ti4 -","4","1","","A. Daniel Schofield; Ainara Nova; Jonathan D. Selby; Catherine D. Manley; Andrew D. Schwarz; Eric Clot; Philip Mountford","M=Nα Cycloaddition and Nα-Nβ Insertion in the Reactions of Titanium Hydrazido Compounds with Alkynes: A Combined Experimental and Computational Study","Journal of the American Chemical Society","2010","132","","10484","10497","10.1021/ja1036513","","","0.71073","MoKα","","0.083","0.0596","","0.0615","0.0556","0.0551","","","","","","1.1137","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102741","14.7234","0.0002","16.5773","0.0002","20.6285","0.0003","103.846","0.0004","94.6175","0.0005","115.87","0.0005","4298.99","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","Ti(N2Npy){N(NPh2)C(Me)C(C6F5)}","","- C36 H42 F5 N5 Si2 Ti -","- C36 H42 F5 N5 Si2 Ti -","- C144 H168 F20 N20 Si8 Ti4 -","4","2","","A. Daniel Schofield; Ainara Nova; Jonathan D. Selby; Catherine D. Manley; Andrew D. Schwarz; Eric Clot; Philip Mountford","M=Nα Cycloaddition and Nα-Nβ Insertion in the Reactions of Titanium Hydrazido Compounds with Alkynes: A Combined Experimental and Computational Study","Journal of the American Chemical Society","2010","132","","10484","10497","10.1021/ja1036513","","","0.71073","MoKα","","0.0728","0.0515","","0.0594","0.0484","0.046","","","","","","1.1066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102742","39.2342","0.001","10.6636","0.0003","20.7574","0.0006","90","","102.084","0.0015","90","","8492","0.4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ti(N2Npy){NC(Ph)C(Me)NPh2}(py). 0.5(Et2O)","","- C43 H57 N6 O0.5 Si2 Ti -","- C43 H57 N6 O0.5 Si2 Ti -","- C344 H456 N48 O4 Si16 Ti8 -","8","1","","A. Daniel Schofield; Ainara Nova; Jonathan D. Selby; Catherine D. Manley; Andrew D. Schwarz; Eric Clot; Philip Mountford","M=Nα Cycloaddition and Nα-Nβ Insertion in the Reactions of Titanium Hydrazido Compounds with Alkynes: A Combined Experimental and Computational Study","Journal of the American Chemical Society","2010","132","","10484","10497","10.1021/ja1036513","","","0.71073","MoKα","","0.0847","0.0437","","0.0555","0.0431","0.0431","","","","","","1.1169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102743","10.191","0.0001","19.6879","0.0002","38.0089","0.0004","90","","92.0565","0.0004","90","","7621.17","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ti(N2NMe){NC(Ph)C(Me)NPh2}(py)","","- C37 H52 N6 Si2 Ti -","- C37 H52 N6 Si2 Ti -","- C296 H416 N48 Si16 Ti8 -","8","2","","A. Daniel Schofield; Ainara Nova; Jonathan D. Selby; Catherine D. Manley; Andrew D. Schwarz; Eric Clot; Philip Mountford","M=Nα Cycloaddition and Nα-Nβ Insertion in the Reactions of Titanium Hydrazido Compounds with Alkynes: A Combined Experimental and Computational Study","Journal of the American Chemical Society","2010","132","","10484","10497","10.1021/ja1036513","","","0.71073","MoKα","","0.1262","0.0397","","0.1081","0.0443","0.0443","","","","","","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102744","5.0929","0.0002","7.3053","0.0003","7.6069","0.0004","108.797","0.0019","98.662","0.002","108.823","0.002","243.14","0.02","150","","150","","","","","","","","","3","P -1","-P 1","2","","MeCC(2,3,5,6-C6F4)CCMe","","- C12 H6 F4 -","- C12 H6 F4 -","- C12 H6 F4 -","1","0.5","","A. Daniel Schofield; Ainara Nova; Jonathan D. Selby; Catherine D. Manley; Andrew D. Schwarz; Eric Clot; Philip Mountford","M=Nα Cycloaddition and Nα-Nβ Insertion in the Reactions of Titanium Hydrazido Compounds with Alkynes: A Combined Experimental and Computational Study","Journal of the American Chemical Society","2010","132","","10484","10497","10.1021/ja1036513","","","0.71073","MoKα","","0.056","0.053","","0.065","0.0617","0.0609","","","","","","1.0765","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102745","10.0757","0.0001","12.3241","0.0002","16.9363","0.0002","82.9647","0.0005","73.1733","0.0005","66.2377","0.0006","1842.31","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Ti(N2NMe){NCC(Me)NPh2}(py)]2(m-2,3,5,6-C6F4)","","- C68 H94 F4 N12 Si4 Ti2 -","- C68 H94 F4 N12 Si4 Ti2 -","- C68 H94 F4 N12 Si4 Ti2 -","1","0.5","","A. Daniel Schofield; Ainara Nova; Jonathan D. Selby; Catherine D. Manley; Andrew D. Schwarz; Eric Clot; Philip Mountford","M=Nα Cycloaddition and Nα-Nβ Insertion in the Reactions of Titanium Hydrazido Compounds with Alkynes: A Combined Experimental and Computational Study","Journal of the American Chemical Society","2010","132","","10484","10497","10.1021/ja1036513","","","0.71073","MoKα","","0.064","0.0475","","0.0575","0.0483","0.0475","","","","","","1.1088","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102746","8.5073","0.0011","10.3194","0.0011","19.4459","0.0017","90","","95.118","0.004","90","","1700.4","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H52 Hf2 N2 O2 -","- C38 H52 Hf2 N2 O2 -","- C76 H104 Hf4 N4 O4 -","2","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Carbon Monoxide-Induced Dinitrogen Cleavage with Group 4 Metallocenes: Reaction Scope and Coupling to N-H Bond Formation and CO Deoxygenation","Journal of the American Chemical Society","2010","132","","10553","10564","10.1021/ja104025v","","","0.71073","MoKα","","0.0427","0.0373","","","0.0803","0.0833","","","","","","0.999","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102747","32.636","0.0013","9.5086","0.0004","21.5096","0.001","90","","97.426","0.002","90","","6618.9","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H52 Hf2 N2 O -","- C37 H52 Hf2 N2 O -","- C296 H416 Hf16 N16 O8 -","8","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Carbon Monoxide-Induced Dinitrogen Cleavage with Group 4 Metallocenes: Reaction Scope and Coupling to N-H Bond Formation and CO Deoxygenation","Journal of the American Chemical Society","2010","132","","10553","10564","10.1021/ja104025v","","","0.71073","MoKα","","0.053","0.0331","","","0.0643","0.0719","","","","","","1.019","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102748","9.2673","0.0007","41.759","0.003","9.3478","0.0007","90","","110.989","0.004","90","","3377.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H54 Hf2 N2 O -","- C37 H54 Hf2 N2 O -","- C148 H216 Hf8 N8 O4 -","4","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Carbon Monoxide-Induced Dinitrogen Cleavage with Group 4 Metallocenes: Reaction Scope and Coupling to N-H Bond Formation and CO Deoxygenation","Journal of the American Chemical Society","2010","132","","10553","10564","10.1021/ja104025v","","","0.71073","MoKα","","0.0358","0.031","","","0.088","0.0908","","","","","","1.015","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102749","10.9609","0.0006","13.9203","0.0007","16.4943","0.0009","66.975","0.002","79.535","0.002","68.141","0.002","2147.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H131 Hf4 N4 O2 Si4 -","- C89 H131 Hf4 N4 O2 Si4 -","- C89 H131 Hf4 N4 O2 Si4 -","1","0.5","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Carbon Monoxide-Induced Dinitrogen Cleavage with Group 4 Metallocenes: Reaction Scope and Coupling to N-H Bond Formation and CO Deoxygenation","Journal of the American Chemical Society","2010","132","","10553","10564","10.1021/ja104025v","","","0.71073","MoKα","","0.0562","0.0296","","","0.0502","0.0566","","","","","","1.013","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102750","10.9031","0.0012","13.796","0.0016","16.365","0.002","68.06","0.004","80.456","0.006","69.609","0.005","2138.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H131 N4 O2 Si4 Zr4 -","- C89 H131 N4 O2 Si4 Zr4 -","- C89 H131 N4 O2 Si4 Zr4 -","1","0.5","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Carbon Monoxide-Induced Dinitrogen Cleavage with Group 4 Metallocenes: Reaction Scope and Coupling to N-H Bond Formation and CO Deoxygenation","Journal of the American Chemical Society","2010","132","","10553","10564","10.1021/ja104025v","","","0.71073","MoKα","","0.1629","0.0662","","","0.1512","0.2008","","","","","","0.989","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102751","11.1183","0.0005","13.6916","0.0006","16.4937","0.0007","65.722","0.002","84.756","0.002","71.372","0.002","2166.52","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H61 Hf2 N O2 Si2 -","- C41 H61 Hf2 N O2 Si2 -","- C82 H122 Hf4 N2 O4 Si4 -","2","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Carbon Monoxide-Induced Dinitrogen Cleavage with Group 4 Metallocenes: Reaction Scope and Coupling to N-H Bond Formation and CO Deoxygenation","Journal of the American Chemical Society","2010","132","","10553","10564","10.1021/ja104025v","","","0.71073","MoKα","","0.0369","0.028","","","0.0675","0.071","","","","","","1.073","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102752","7.5272","0.0004","15.9463","0.0008","13.2915","0.0006","90","","100.104","0.003","90","","1570.65","0.14","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C72 H96 O16 -","4","1","","Yu-Jun Zhao; Bin Li; Li-Jun Serena Tan; Zhi-Liang Shen; Teck-Peng Loh","Enantioselective Cationic Polyene Cyclization vs Enantioselective Intramolecular Carbonyl-Ene Reaction","Journal of the American Chemical Society","2010","132","","10242","10244","10.1021/ja104119j","","","0.71073","MoKα","","0.1371","0.1134","","","0.3115","0.3723","","","","","","1.45","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102753","6.6693","0.0002","7.8743","0.0004","30.0251","0.0012","90","","90","","90","","1576.8","0.11","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl O2 -","- C18 H25 Cl O2 -","- C72 H100 Cl4 O8 -","4","1","","Yu-Jun Zhao; Bin Li; Li-Jun Serena Tan; Zhi-Liang Shen; Teck-Peng Loh","Enantioselective Cationic Polyene Cyclization vs Enantioselective Intramolecular Carbonyl-Ene Reaction","Journal of the American Chemical Society","2010","132","","10242","10244","10.1021/ja104119j","","","0.71073","MoKα","","0.0447","0.0373","","","0.0916","0.1043","","","","","","1.087","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102754","7.7882","0.0006","10.591","0.0009","13.0638","0.0011","81.172","0.002","76.333","0.002","71.019","0.002","986.67","0.14","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H23 Br N2 O5 S -","- C17 H23 Br N2 O5 S -","- C34 H46 Br2 N4 O10 S2 -","2","1","","Ling Zhou; Chong Kiat Tan; Jing Zhou; Ying-Yeung Yeung","Facile, Efficient, and Catalyst-Free Electrophilic Aminoalkoxylation of Olefins: Scope and Application","Journal of the American Chemical Society","2010","132","","10245","10247","10.1021/ja104168q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102755","20.8509","0.0001","17.1103","0.0001","24.2437","0.0002","90","","104.181","0.0002","90","","8385.72","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H86 B F24 Ir N4 -","- C86 H86 B F24 Ir N4 -","- C344 H344 B4 F96 Ir4 N16 -","4","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0674","0.0412","","0.1007","0.0813","0.1007","","","","","","0.9577","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102756","17.416","0.0001","13.2405","0.0001","39.2632","0.0002","90","","92.2185","0.00018","90","","9047.17","0.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90.18 H94.02 B F24 Ir N4 -","- C90.175 H94.02 B F24 Ir N4 -","- C360.7 H376.08 B4 F96 Ir4 N16 -","4","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.06","0.038","","0.1002","0.08","0.1002","","","","","","0.9125","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102757","22.7234","0.0003","18.7031","0.0003","19.6595","0.0002","90","","116.051","0.0007","90","","7506.39","0.18","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C74 H62 B Cl F24 Ir N4 Na -","- C74 H62 B Cl F24 Ir N4 Na -","- C296 H248 B4 Cl4 F96 Ir4 N16 Na4 -","4","0.5","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0773","0.0629","","0.1556","0.1461","0.1556","","","","","","0.938","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102758","12.7677","0.0001","14.3005","0.0001","20.9203","0.0002","90","","95.1294","0.0004","90","","3804.43","0.05","150","","150","","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C74 H60.43 B Cl0.15 F24 Ir N7.27 Na0.15 -","- C74 H60.432 B Cl0.15 F24 Ir N7.26 Na0.15 -","- C148 H120.864 B2 Cl0.3 F48 Ir2 N14.52 Na0.3 -","2","0.5","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0621","0.0481","","0.1165","0.1009","0.1165","","","","","","0.9531","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102759","12.9101","0.0001","14.4822","0.0001","20.7483","0.0002","90","","95.7575","0.0004","90","","3859.67","0.05","150","","150","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C78 H68 B F24 Ir N6 O -","- C78 H68 B F24 Ir N6 O -","- C156 H136 B2 F48 Ir2 N12 O2 -","2","0.5","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0431","0.0375","","0.0961","0.0894","0.0961","","","","","","1.0001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102760","12.3626","0.0001","18.0479","0.0001","18.2196","0.0002","85.7504","0.0003","89.6654","0.0003","73.4166","0.0003","3884.84","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H74 B2 F24 N5 Rh -","- C77 H74 B2 F24 N5 Rh -","- C154 H148 B4 F48 N10 Rh2 -","2","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0624","0.0505","","0.1324","0.1192","0.1324","","","","","","0.9992","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102761","12.5131","0.0001","18.025","0.0002","18.3267","0.0002","92.2635","0.0004","109.9","0.0004","92.5285","0.0004","3876.41","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H74 B2 F24 Ir N5 -","- C77 H74 B2 F24 Ir N5 -","- C154 H148 B4 F48 Ir2 N10 -","2","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0523","0.0393","","0.103","0.0888","0.103","","","","","","0.9988","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102762","12.1802","0.0001","18.109","0.0001","19.0903","0.0002","96.3368","0.0004","91.757","0.0004","106.176","0.0004","4011.04","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H78 B2 F24 N5 Rh -","- C80 H78 B2 F24 N5 Rh -","- C160 H156 B4 F48 N10 Rh2 -","2","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0706","0.0513","","0.1201","0.1023","0.12","","","","","","0.9526","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102763","12.692","0.004","17.585","0.007","18.027","0.006","88.662","0.016","71.192","0.009","87.422","0.013","3805","2","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C77.16 H68.33 B Cl0.21 F24 N4 O0.79 Rh -","- C77.164 H68.328 B Cl0.209 F24 N4 O0.791 Rh -","- C154.328 H136.656 B2 Cl0.418 F48 N8 O1.582 Rh2 -","2","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.6889","Synchrotron","","0.0954","0.0754","","0.0962","0.0803","0.0803","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102764","13.0947","0.0001","36.5759","0.0001","54.0064","0.0002","90","","93.2135","0.00018","90","","25825.7","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H86 B2 F24 N5 Rh -","- C86 H86 B2 F24 N5 Rh -","- C1032 H1032 B24 F288 N60 Rh12 -","12","3","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.1276","0.0751","","0.2065","0.1584","0.2065","","","","","","0.9618","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102765","12.2427","0.0001","18.0382","0.0002","18.8848","0.0002","84.3098","0.0005","89.8394","0.0005","74.7171","0.0004","4001.96","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H78 B2 F24 Ir N5 -","- C80 H78 B2 F24 Ir N5 -","- C160 H156 B4 F48 Ir2 N10 -","2","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0696","0.0498","","0.1088","0.0944","0.1088","","","","","","0.9199","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102766","13.0196","0.0001","16.2636","0.0001","41.958","0.003","86.1769","0.0002","89.9547","0.0002","84.5651","0.0002","8824.7","0.6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C87.84 H90.41 B2 F24 Ir N5 -","- C87.85 H90.44 B2 F24 Ir N5 -","- C351.4 H361.76 B8 F96 Ir4 N20 -","4","2","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0963","0.0789","","0.1652","0.152","0.1648","","","","","","0.9993","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102767","12.4797","0.0001","18.0232","0.0001","18.3026","0.0001","86.9554","0.0003","71.1266","0.0004","88.1755","0.0004","3889.4","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H76 B2 F24 N5 Rh -","- C78 H76 B2 F24 N5 Rh -","- C156 H152 B4 F48 N10 Rh2 -","2","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.07","0.0571","","0.1523","0.1336","0.1523","","","","","","0.9235","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102768","12.5092","0.0001","18.0131","0.0002","18.2799","0.0002","86.9894","0.0005","70.6905","0.0006","87.986","0.0006","3881.23","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H74 B2 F24 N5 Rh -","- C78 H74 B2 F24 N5 Rh -","- C156 H148 B4 F48 N10 Rh2 -","2","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.082","0.0653","","0.1822","0.1604","0.1822","","","","","","0.9995","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102769","12.9838","0.0002","18.0619","0.0002","19.1755","0.0003","89.919","0.0005","72.2221","0.0006","85.1736","0.0007","4265.57","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H84 B2 F24 Ir N5 -","- C86 H84 B2 F24 Ir N5 -","- C172 H168 B4 F48 Ir2 N10 -","2","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0788","0.0582","","0.1405","0.124","0.1405","","","","","","0.9999","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102770","13.4156","0.0001","16.6035","0.0002","38.5024","0.0004","90","","95.1242","0.0004","90","","8541.98","0.15","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H82 B2 F24 Ir N5 -","- C86 H82 B2 F24 Ir N5 -","- C344 H328 B8 F96 Ir4 N20 -","4","1","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.1103","0.0654","","0.138","0.1085","0.1374","","","","","","0.9531","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102771","12.8899","0.0001","35.5605","0.0003","13.1718","0.0001","90","","115.227","0.0003","90","","5461.77","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H41 B2 F24 N3 -","- C53 H41 B2 F24 N3 -","- C212 H164 B8 F96 N12 -","4","2","","Christina Y. Tang; Amber L. Thompson; Simon Aldridge","Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)","Journal of the American Chemical Society","2010","132","","10578","10591","10.1021/ja1043787","","","0.71073","MoKα","","0.0665","0.0595","","0.1527","0.1441","0.1527","","","","","","1.0001","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102772","10.3497","0.0012","5.6898","0.0006","17.1366","0.0019","90","","90.22","0.002","90","","1009.13","0.19","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O3 -","- C22 H30 N2 O3 -","- C44 H60 N4 O6 -","2","1","","Uttam K. Tambar; Sharon K. Lee; James L. Leighton","Enantioselective (Formal) Aza-Diels-Alder Reactions with Non-Danishefsky-Type Dienes","Journal of the American Chemical Society","2010","132","","10248","10250","10.1021/ja104480g","","","0.71073","MoKα","","0.0555","0.0473","","","0.1162","0.1252","","","","","","1.038","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102773","12.6963","0.0008","5.6982","0.0004","13.9991","0.0009","90","","98.935","0.001","90","","1000.49","0.11","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N2 O3 -","- C20 H27 Br N2 O3 -","- C40 H54 Br2 N4 O6 -","2","1","","Uttam K. Tambar; Sharon K. Lee; James L. Leighton","Enantioselective (Formal) Aza-Diels-Alder Reactions with Non-Danishefsky-Type Dienes","Journal of the American Chemical Society","2010","132","","10248","10250","10.1021/ja104480g","","","0.71073","MoKα","","0.0515","0.038","","","0.0816","0.0869","","","","","","1.028","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102774","13.226","0.002","14.275","0.002","18.644","0.003","82.897","0.003","84.533","0.003","77.795","0.002","3405.4","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H52 B Cl F24 N2 Pd -","- C68 H52 B Cl F24 N2 Pd -","- C136 H104 B2 Cl2 F48 N4 Pd2 -","2","1","","Changle Chen; Richard F. Jordan","Palladium-Catalyzed Dimerization of Vinyl Ethers to Acetals","Journal of the American Chemical Society","2010","132","","10254","10255","10.1021/ja104523y","","","0.71073","MoKα","","0.0861","0.0648","","","0.1667","0.1777","","","","","","0.932","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102775","9.306","0.004","18.733","0.008","19.586","0.008","90","","98.302","0.007","90","","3379","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 O2 Si2 -","- C40 H33 O2 Si2 -","- C160 H132 O8 Si8 -","4","1","","Changle Chen; Richard F. Jordan","Palladium-Catalyzed Dimerization of Vinyl Ethers to Acetals","Journal of the American Chemical Society","2010","132","","10254","10255","10.1021/ja104523y","","","0.71073","MoKα","","0.06","0.051","","","0.1381","0.1442","","","","","","1.065","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102776","11.4126","0.0013","13.1288","0.0015","18.984","0.002","109.283","0.002","91.586","0.002","100.116","0.002","2631.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H53 B Cl0.06 F20 N2 P -","- C56 H53 B Cl0.062 F20 N2 P -","- C112 H106 B2 Cl0.124 F40 N4 P2 -","2","1","","Olivier Back; Mehmet Ali Celik; Gernot Frenking; Mohand Melaimi; Bruno Donnadieu; Guy Bertrand","A Crystalline Phosphinyl Radical Cation","Journal of the American Chemical Society","2010","132","","10262","10263","10.1021/ja1046846","","","0.71073","MoKα","","0.1029","0.0578","","","0.128","0.1502","","","","","","1.008","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102777","15.7369","0.001","11.4071","0.0007","16.6528","0.001","90","","96.202","0.001","90","","2971.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H53 N2 P -","- C32 H53 N2 P -","- C128 H212 N8 P4 -","4","1","","Olivier Back; Mehmet Ali Celik; Gernot Frenking; Mohand Melaimi; Bruno Donnadieu; Guy Bertrand","A Crystalline Phosphinyl Radical Cation","Journal of the American Chemical Society","2010","132","","10262","10263","10.1021/ja1046846","","","0.71073","MoKα","","0.0647","0.0385","","","0.0764","0.0815","","","","","","0.875","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102778","13.3286","0.0013","14.7172","0.0014","17.692","0.003","110.179","0.002","92.789","0.002","116.027","0.001","2843.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H59 B F21 N2 P -","- C62 H59 B F21 N2 P -","- C124 H118 B2 F42 N4 P2 -","2","1","","Olivier Back; Mehmet Ali Celik; Gernot Frenking; Mohand Melaimi; Bruno Donnadieu; Guy Bertrand","A Crystalline Phosphinyl Radical Cation","Journal of the American Chemical Society","2010","132","","10262","10263","10.1021/ja1046846","","","0.71073","MoKα","","0.08","0.0469","","","0.1016","0.1124","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102779","18.9573","0.0008","18.9573","0.0008","25.392","0.0009","90","","90","","120","","7902.8","0.5","173.1","","173.1","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C106 H102 Cl4 Cu2 O4 P4 -","- C106 H74 Cl4 Cu2 O4 P4 -","- C318 H222 Cl12 Cu6 O12 P12 -","3","0.5","","Gaku Hattori; Ken Sakata; Hiroshi Matsuzawa; Yoshiaki Tanabe; Yoshihiro Miyake; Yoshiaki Nishibayashi","Copper-Catalyzed Enantioselective Propargylic Amination of Propargylic Esters with Amines: Copper-Allenylidene Complexes as Key Intermediates","Journal of the American Chemical Society","2010","132","","10592","10608","10.1021/ja1047494","","","0.71075","MoKα","","","0.0408","","","","0.0856","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102780","11.6476","0.0014","5.0598","0.0008","13.0466","0.0016","90","","90.442","0.003","90","","768.87","0.18","173.1","","173.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 Cl N -","- C20 H16 Cl N -","- C40 H32 Cl2 N2 -","2","1","","Gaku Hattori; Ken Sakata; Hiroshi Matsuzawa; Yoshiaki Tanabe; Yoshihiro Miyake; Yoshiaki Nishibayashi","Copper-Catalyzed Enantioselective Propargylic Amination of Propargylic Esters with Amines: Copper-Allenylidene Complexes as Key Intermediates","Journal of the American Chemical Society","2010","132","","10592","10608","10.1021/ja1047494","","","0.71075","MoKα","","","0.056","","","","0.1344","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102781","11.3495","0.0005","11.5304","0.0004","13.7315","0.0006","93.9917","0.0013","91.1022","0.0015","103.075","0.0013","1745","0.12","173.1","","173.1","","","","","","","","","6","P 1","P 1","1","","","","- C76 H60 Cl6 Cu2 O4 P4 -","- C76 H60 Cl6 Cu2 O4 P4 -","- C76 H60 Cl6 Cu2 O4 P4 -","1","1","","Gaku Hattori; Ken Sakata; Hiroshi Matsuzawa; Yoshiaki Tanabe; Yoshihiro Miyake; Yoshiaki Nishibayashi","Copper-Catalyzed Enantioselective Propargylic Amination of Propargylic Esters with Amines: Copper-Allenylidene Complexes as Key Intermediates","Journal of the American Chemical Society","2010","132","","10592","10608","10.1021/ja1047494","","","0.71075","MoKα","","","0.0314","","","","0.0706","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102782","13.8976","0.0004","13.8976","0.0004","35.5493","0.0013","90","","90","","90","","6866.1","0.4","173.1","","173.1","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C88 H64 Cl2 Cu2 P4 -","- C88 H64 Cl2 Cu2 P4 -","- C352 H256 Cl8 Cu8 P16 -","4","0.5","","Gaku Hattori; Ken Sakata; Hiroshi Matsuzawa; Yoshiaki Tanabe; Yoshihiro Miyake; Yoshiaki Nishibayashi","Copper-Catalyzed Enantioselective Propargylic Amination of Propargylic Esters with Amines: Copper-Allenylidene Complexes as Key Intermediates","Journal of the American Chemical Society","2010","132","","10592","10608","10.1021/ja1047494","","","0.71075","MoKα","","","0.0451","","","","0.129","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102783","8.5116","0.0017","26.887","0.005","41.174","0.008","90","","90","","90","","9423","3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C54 H66 Si5 -","- C54 H66 Si5 -","- C432 H528 Si40 -","8","1","","Dominik Nied; Ralf Köppe; Wim Klopper; Hansgeorg Schnöckel; Frank Breher","Synthesis of a Pentasilapropellane. Exploring the Nature of a Stretched Silicon-Silicon Bond in a Nonclassical Molecule","Journal of the American Chemical Society","2010","132","","10264","10265","10.1021/ja104810u","","","0.71073","MoKα","","0.1069","0.098","","","0.1776","0.1813","","","","","","1.38","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102784","17.2825","0.0003","23.4559","0.0004","18.2009","0.0013","90","","114.427","0.008","90","","6717.8","0.7","153.1","","153.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C140 H192 Cu O16 P3 -","- C140 H192 Cu O16 P3 -","- C280 H384 Cu2 O32 P6 -","2","1","","Ryo Yazaki; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Conjugate Addition of Terminal Alkynes to α,β-Unsaturated Thioamides","Journal of the American Chemical Society","2010","132","","10275","10277","10.1021/ja105141x","","","1.54187","CuKα","","","0.0551","","","","0.1493","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102785","4.8515","0.0002","10.4926","0.0004","15.8543","0.0007","90","","91.852","0.002","90","","806.64","0.06","93.1","","93.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N S -","- C19 H19 N S -","- C38 H38 N2 S2 -","2","1","","Ryo Yazaki; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Conjugate Addition of Terminal Alkynes to α,β-Unsaturated Thioamides","Journal of the American Chemical Society","2010","132","","10275","10277","10.1021/ja105141x","","","1.54187","CuKα","","","0.0755","","","","0.1993","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102786","10.2051","0.0005","11.357","0.0006","13.873","0.0007","68.513","0.002","73.874","0.002","64.295","0.002","1334.45","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H60 N8 O8 -","- C62 H60 N8 O8 -","- C62 H60 N8 O8 -","1","0.5","","José Berná; Mateo Alajarín; Raúl-Angel Orenes","Azodicarboxamides as Template Binding Motifs for the Building of Hydrogen-Bonded Molecular Shuttles","Journal of the American Chemical Society","2010","132","","10741","10747","10.1021/ja101151t","","","0.71073","MoKα","","0.0514","0.0422","","","0.099","0.1043","","","","","","1.033","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102787","10.8603","0.0004","18.963","0.0007","25.9552","0.001","90","","90","","90","","5345.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C62 H62 N8 O8 -","- C62 H62 N8 O8 -","- C248 H248 N32 O32 -","4","0.5","","José Berná; Mateo Alajarín; Raúl-Angel Orenes","Azodicarboxamides as Template Binding Motifs for the Building of Hydrogen-Bonded Molecular Shuttles","Journal of the American Chemical Society","2010","132","","10741","10747","10.1021/ja101151t","","","0.71073","MoKα","","0.1068","0.0871","","","0.1583","0.1659","","","","","","1.239","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102788","20.4472","0.0006","10.9518","0.0003","20.3069","0.0005","90","","90.7561","0.001","90","","4547","0.2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H48 Cl9 F3 N P Pt -","- C41 H48 Cl9 F3 N P Pt -","- C164 H192 Cl36 F12 N4 P4 Pt4 -","4","1","","Ariela W. Kaspi; Israel Goldberg; Arkadi Vigalok","Reagent-Dependent Formation of C-C and C-F Bonds in Pt Complexes: An Unexpected Twist in the Electrophilic Fluorination Chemistry","Journal of the American Chemical Society","2010","132","","10626","10627","10.1021/ja101436w","","","0.71073","MoKα","","0.0968","0.0547","","","0.0975","0.1114","","","","","","1.037","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102789","19.2068","0.0004","14.9867","0.0003","28.4503","0.0005","90","","90","","90","","8189.3","0.3","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H52 N P Pt -","- C41 H52 N P Pt -","- C328 H416 N8 P8 Pt8 -","8","1","","Ariela W. Kaspi; Israel Goldberg; Arkadi Vigalok","Reagent-Dependent Formation of C-C and C-F Bonds in Pt Complexes: An Unexpected Twist in the Electrophilic Fluorination Chemistry","Journal of the American Chemical Society","2010","132","","10626","10627","10.1021/ja101436w","","","0.71073","MoKα","","0.1291","0.0683","","","0.1486","0.1644","","","","","","1.023","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102790","36.0527","0.0004","36.0527","0.0004","20.744","0.0004","90","","90","","90","","26963","0.7","110","2","110","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C54 H72 Cl2 P2 Pt2 -","- C54 H72 Cl2 P2 Pt2 -","- C864 H1152 Cl32 P32 Pt32 -","16","1","","Ariela W. Kaspi; Israel Goldberg; Arkadi Vigalok","Reagent-Dependent Formation of C-C and C-F Bonds in Pt Complexes: An Unexpected Twist in the Electrophilic Fluorination Chemistry","Journal of the American Chemical Society","2010","132","","10626","10627","10.1021/ja101436w","","","0.71073","MoKα","","0.0657","0.0409","","","0.0963","0.1014","","","","","","0.936","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102791","12.6717","0.0003","20.2955","0.0004","19.301","0.0005","90","","93.0782","0.001","90","","4956.6","0.2","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57 H59 F4 N O3 P2 Pt S -","- C57 H59 F4 N O3 P2 Pt S -","- C228 H236 F16 N4 O12 P8 Pt4 S4 -","4","1","","Ariela W. Kaspi; Israel Goldberg; Arkadi Vigalok","Reagent-Dependent Formation of C-C and C-F Bonds in Pt Complexes: An Unexpected Twist in the Electrophilic Fluorination Chemistry","Journal of the American Chemical Society","2010","132","","10626","10627","10.1021/ja101436w","","","0.71073","MoKα","","0.1063","0.072","","","0.1729","0.1925","","","","","","1.044","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102792","11.34","0.0002","15.621","0.0003","18.5266","0.0005","66.7454","0.0011","80.2447","0.001","73.5493","0.0013","2885.6","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H76 F P3 Pt -","- C72 H76 F P3 Pt -","- C144 H152 F2 P6 Pt2 -","2","1","","Ariela W. Kaspi; Israel Goldberg; Arkadi Vigalok","Reagent-Dependent Formation of C-C and C-F Bonds in Pt Complexes: An Unexpected Twist in the Electrophilic Fluorination Chemistry","Journal of the American Chemical Society","2010","132","","10626","10627","10.1021/ja101436w","","","0.71073","MoKα","","0.0771","0.0594","","","0.1007","0.1068","","","","","","1.08","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102793","23.9286","0.0002","23.9286","0.0002","42.0821","0.0005","90","","90","","90","","24095.3","0.4","150","2","150","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","catena-(tetrakis(1,1'-Methylenedipiperidinium) tritriaconta-selenido-hexadeca-gallium-di-copper-di-tin)","","- C44 H96 Cu2 Ga16 N8 Se33 Sn2 -","- Cu2 Ga16 Se33 Sn2 -","- Cu16 Ga128 Se264 Sn16 -","8","0.25","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.1196","0.0587","","","0.1873","0.272","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102794","24.1584","0.0012","24.1584","0.0012","41.931","0.004","90","","90","","90","","24472","3","150","2","150","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","catena-(octakis(2-Methylpiperidinium) tritriaconta-selenido-tetradeca-gallium-tetra-zinc-di-tin)","","- C48 H112 Ga14 N8 Se33 Sn2 Zn4 -","- C10 Ga14 Se32.98 Sn2 Zn4 -","- C80 Ga112 Se263.84 Sn16 Zn32 -","8","0.25","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.0839","0.0485","","","0.1606","0.1983","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102795","24.0693","0.0003","24.0693","0.0003","42.2601","0.001","90","","90","","90","","24482.6","0.7","150","2","150","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","catena-(octakis(3-Methylpiperidinium) tritriaconta-selenido-tetradeca-gallium-tetra-zinc-di-tin)","","- C48 H112 Ga14 N8 Se33 Sn2 Zn4 -","- Ga14 Se33 Sn2 Zn4 -","- Ga112 Se264 Sn16 Zn32 -","8","0.25","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.1441","0.0732","","","0.2213","0.3099","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102796","18.8019","0.0001","18.8019","0.0001","18.8019","0.0001","90","","90","","90","","6646.69","0.06","150","2","150","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C60 H144 Cu2 Ga16 N12 Se35 Sn2 -","- C60 H144 Cu2 Ga16 N12 Se35 Sn2 -","- C120 H288 Cu4 Ga32 N24 Se70 Sn4 -","2","0.0416667","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.0451","0.0328","","","0.0937","0.1","","","","","","1.087","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102797","18.8951","0.0001","18.8951","0.0001","18.8951","0.0001","90","","90","","90","","6746.02","0.06","150","2","150","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C60 H144 Ga14 N12 Se35 Sn2 Zn4 -","- C60 H144 Ga14 N12 Se35 Sn2 Zn4 -","- C120 H288 Ga28 N24 Se70 Sn4 Zn8 -","2","0.0416667","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.0871","0.0408","","","0.1047","0.1367","","","","","","1.115","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102798","18.8037","0.0003","18.8037","0.0003","18.8037","0.0003","90","","90","","90","","6648.6","0.18","150","2","150","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C60 H144 Ga14 Mn4 N12 Se35 Sn2 -","- C60 H144 Ga14 Mn4 N12 Se35 Sn2 -","- C120 H288 Ga28 Mn8 N24 Se70 Sn4 -","2","0.0416667","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.0729","0.0417","","","0.1143","0.1321","","","","","","1.074","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102799","18.428","0.0003","18.428","0.0003","18.428","0.0003","90","","90","","90","","6257.99","0.18","150","2","150","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C60 H144 Cu2 Ga16 N12 S35 Sn2 -","- C60 H144 Cu2 Ga16 N12 S35 Sn2 -","- C120 H288 Cu4 Ga32 N24 S70 Sn4 -","2","0.0416667","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.0927","0.0538","","","0.1398","0.1697","","","","","","1.045","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102800","18.258","0.0015","18.258","0.0015","18.258","0.0015","90","","90","","90","","6086.4","0.9","150","2","150","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C60 H144 Ga14 N12 S35 Sn2 Zn4 -","- C60 H144 Ga14 N12 S35 Sn2 Zn4 -","- C120 H288 Ga28 N24 S70 Sn4 Zn8 -","2","0.0416667","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.1411","0.0584","","","0.1579","0.2185","","","","","","1.061","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102801","18.3783","0.0011","18.3783","0.0011","18.3783","0.0011","90","","90","","90","","6207.5","0.6","150","2","150","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C60 H144 Ga14 Mn4 N12 S35 Sn2 -","- C60 H144 Ga14 Mn4 N12 S35 Sn2 -","- C120 H288 Ga28 Mn8 N24 S70 Sn4 -","2","0.0416667","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.062","0.0426","","","0.1196","0.1306","","","","","","1.146","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102802","10.122","0.003","21.299","0.006","24.651","0.006","90","","98.052","0.004","90","","5262","3","202","2","202","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H85 Br N O P2 Pd -","- C54 H85 Br N O P2 Pd -","- C216 H340 Br4 N4 O4 P8 Pd4 -","4","1","","Sophie Rousseaux; Serge I. Gorelsky; Benjamin K. W. Chung; Keith Fagnou","Investigation of the Mechanism of C(sp3)-H Bond Cleavage in Pd(0)-Catalyzed Intramolecular Alkane Arylation Adjacent to Amides and Sulfonamides","Journal of the American Chemical Society","2010","132","","10692","10705","10.1021/ja103081n","","","0.71073","MoKα","","0.1093","0.0528","","","0.1199","0.1445","","","","","","1.058","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102803","7.5448","0.0002","10.5798","0.0004","11.1164","0.0004","90","","90","","90","","887.34","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C32 H52 N4 O16 -","4","1","","Matthew D. Shoulders; Frank W. Kotch; Amit Choudhary; Ilia A. Guzei; Ronald T. Raines","The Aberrance of the 4S Diastereomer of 4-Hydroxyproline","Journal of the American Chemical Society","2010","132","","10857","10865","10.1021/ja103082y","","","1.54178","Cu-Kα","","0.0411","0.0381","","","0.1003","0.1022","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102804","6.377","0.0016","9.552","0.002","10.158","0.003","90","","90.19","0.003","90","","618.8","0.3","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H19 N O5 -","- C11 H19 N O5 -","- C22 H38 N2 O10 -","2","1","","Matthew D. Shoulders; Frank W. Kotch; Amit Choudhary; Ilia A. Guzei; Ronald T. Raines","The Aberrance of the 4S Diastereomer of 4-Hydroxyproline","Journal of the American Chemical Society","2010","132","","10857","10865","10.1021/ja103082y","","","0.71073","Mo-Kα","","0.0312","0.0304","","","0.0767","0.0771","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102805","12.7699","0.0001","13.8445","0.0001","19.5705","0.0001","90","","90","","90","","3459.93","0.04","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 Cl3 Cu2 N2 O4 P2 -","- C33 H33 Cl3 Cu2 N2 O4 P2 -","- C132 H132 Cl12 Cu8 N8 O16 P8 -","4","1","","Jesús García-López; Víctor Yañez-Rodríguez; Laura Roces; Santiago García-Granda; Ana Martínez; Alfredo Guevara-García; German R. Castro; Félix Jiménez-Villacorta; María J. Iglesias; Fernando López Ortiz","Synthesis and Characterization of a Coupled Binuclear CuI/CuIII Complex","Journal of the American Chemical Society","2010","132","","10665","10667","10.1021/ja1034667","","","1.5418","CuKα","","0.0393","0.0359","","","0.1097","0.1178","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102806","50.7473","0.0015","50.7473","","21.4124","0.0007","90","","90","","120","","47755","2","120","2","120","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C85 H58 Fe N10 O8 -","- C85 H58 Fe N10 O8 -","- C1530 H1044 Fe18 N180 O144 -","18","1","","Ismail Hijazi; Thierry Roisnel; Pascale Even-Hernandez; Eric Furet; Jean-François Halet; Olivier Cador; Bernard Boitrel","Characterization of a Six-Coordinate Ferrous High-Spin Heme with Both Intramolecular Axial Carboxylic Acid and Pyridine","Journal of the American Chemical Society","2010","132","","10652","10653","10.1021/ja103825g","","x-ray","0.71073","MoKα","","0.1452","0.0588","","","0.1466","0.1668","","","","","","0.769","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102807","16.1289","0.0004","17.596","0.0005","17.6291","0.0005","69.242","0.001","69.071","0.001","73.957","0.001","4305.1","0.2","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C87 H62 Cl9 Fe N10 O6 -","- C87 H62 Cl9 Fe N10 O6 -","- C174 H124 Cl18 Fe2 N20 O12 -","2","1","","Ismail Hijazi; Thierry Roisnel; Pascale Even-Hernandez; Eric Furet; Jean-François Halet; Olivier Cador; Bernard Boitrel","Characterization of a Six-Coordinate Ferrous High-Spin Heme with Both Intramolecular Axial Carboxylic Acid and Pyridine","Journal of the American Chemical Society","2010","132","","10652","10653","10.1021/ja103825g","","x-ray","0.71073","MoKα","","0.0807","0.0708","","","0.2088","0.2193","","","","","","1.096","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102808","14.3242","0.0006","16.2707","0.0009","19.9354","0.001","90","","110.157","0.003","90","","4361.7","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C92 H68 Cl12 Fe N12 O4 S0 -","- C92 H68 Cl12 Fe N12 O4 -","- C184 H136 Cl24 Fe2 N24 O8 -","2","1","","Ismail Hijazi; Thierry Roisnel; Pascale Even-Hernandez; Eric Furet; Jean-François Halet; Olivier Cador; Bernard Boitrel","Characterization of a Six-Coordinate Ferrous High-Spin Heme with Both Intramolecular Axial Carboxylic Acid and Pyridine","Journal of the American Chemical Society","2010","132","","10652","10653","10.1021/ja103825g","","x-ray","0.71073","MoKα","","0.1089","0.0669","","","0.1513","0.1733","","","","","","1.031","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102809","27.612","0.007","19.743","0.004","24.692","0.006","90","","105.944","0.0016","90","","12943","5","123.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 Cl2 Fe P2 -","- C104.17 H88 Cl3.09 Fe1.55 P3.15 -","- C833.36 H704 Cl24.72 Fe12.4 P25.2 -","8","1","","Takuji Hatakeyama; Toru Hashimoto; Yoshiyuki Kondo; Yuichi Fujiwara; Hirofumi Seike; Hikaru Takaya; Yoshinori Tamada; Teruo Ono; Masaharu Nakamura","Iron-Catalyzed Suzuki-Miyaura Coupling of Alkyl Halides","Journal of the American Chemical Society","2010","132","","10674","10676","10.1021/ja103973a","","","0.7107","MoKα","","","0.0931","","","","0.3023","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102810","10.7895","0.0005","10.7895","0.0005","72.85","0.007","90","","90","","120","","7344.5","0.9","173","2","173","2","","","","","","","","4","P 61","P 61","169","","","","- C52 H78 N8 O2 -","- C52 H78 N8 O2 -","- C312 H468 N48 O12 -","6","1","","Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng","Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones","Journal of the American Chemical Society","2010","132","","10650","10651","10.1021/ja1046928","","","0.71073","MoKα","","0.0858","0.083","","","0.2018","0.2034","","","","","","1.236","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102811","11.845","0.003","10.783","0.002","12.35","0.003","90","","117.8","0.03","90","","1395.3","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H26 Cl3 N O3 -","- C32 H26 Cl3 N O3 -","- C64 H52 Cl6 N2 O6 -","2","1","","Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng","Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones","Journal of the American Chemical Society","2010","132","","10650","10651","10.1021/ja1046928","","","0.71073","MoKα","","0.0736","0.0636","","","0.1198","0.1265","","","","","","1.098","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102812","9.3195","0.0011","10.599","0.0012","24.308","0.003","90","","90","","90","","2401.1","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 N O3 -","- C31 H25 N O3 -","- C124 H100 N4 O12 -","4","1","","Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng","Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones","Journal of the American Chemical Society","2010","132","","10650","10651","10.1021/ja1046928","","","1.54186","CuKα","","0.0332","0.031","","","0.0729","0.0737","","","","","","1.143","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102813","6.2174","0.0003","9.1621","0.0005","10.3772","0.0006","68.885","0.002","72.909","0.001","71.408","0.002","511.84","0.05","100","2","100","2","","","","","","","syntheszed","4","P 1","P 1","1","","","","- C22 H29 B O4 -","- C22 H29 B O4 -","- C22 H29 B O4 -","1","1","","Jeannette M. O'Brien; Kang-sang Lee; Amir H. Hoveyda","Enantioselective Synthesis of Boron-Substituted Quaternary Carbons by NHC-Cu-Catalyzed Boronate Conjugate Additions to Unsaturated Carboxylic Esters, Ketones, or Thioesters","Journal of the American Chemical Society","2010","132","","10630","10633","10.1021/ja104777u","","x-ray","1.54178","CuKα","","0.0361","0.0361","","","0.0857","0.0857","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102814","11.0774","0.0002","17.1476","0.0003","20.9494","0.0004","90","","102.081","0.001","90","","3891.22","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 B Br O4 -","- C18 H26 B Br O4 -","- C144 H208 B8 Br8 O32 -","8","4","","Jeannette M. O'Brien; Kang-sang Lee; Amir H. Hoveyda","Enantioselective Synthesis of Boron-Substituted Quaternary Carbons by NHC-Cu-Catalyzed Boronate Conjugate Additions to Unsaturated Carboxylic Esters, Ketones, or Thioesters","Journal of the American Chemical Society","2010","132","","10630","10633","10.1021/ja104777u","","","0.71073","MoKα","","0.0327","0.0292","","","0.0695","0.0709","","","","","","1.043","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102815","8.499","0.0017","8.572","0.0017","8.883","0.0018","117.05","0.03","97.77","0.03","107.32","0.03","521.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","ZHAO1770","","","- C12 H38 B4 N2 O6 -","- C12 H38 B4 N2 O6 -","- C12 H38 B4 N2 O6 -","1","0.5","","Xuenian Chen; Ji-Cheng Zhao; Sheldon G. Shore","Facile Synthesis of Aminodiborane and Inorganic Butane Analogue NH3BH2NH2BH3","Journal of the American Chemical Society","2010","132","","10658","10659","10.1021/ja104938v","","","0.71073","MoKα","","0.0655","0.046","","","0.116","0.1293","","","","","","1.042","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102816","8.872","0.0018","11.618","0.002","18.212","0.004","90","","90","","90","","1877.2","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ZHAO1785","","","- C12 H34 B2 N2 O6 -","- C12 H34 B2 N2 O6 -","- C48 H136 B8 N8 O24 -","4","1","","Xuenian Chen; Ji-Cheng Zhao; Sheldon G. Shore","Facile Synthesis of Aminodiborane and Inorganic Butane Analogue NH3BH2NH2BH3","Journal of the American Chemical Society","2010","132","","10658","10659","10.1021/ja104938v","","","0.71073","MoKα","","0.0373","0.0317","","","0.0805","0.0838","","","","","","1.04","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102817","11.8006","0.0003","12.2935","0.0003","18.6776","0.0003","104.238","0.0013","106.01","0.0014","95.319","0.0012","2486.72","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H28 B2 F30 N O2 -","- C46 H21 B2 F30 N O2 -","- C92 H42 B4 F60 N2 O4 -","2","1","","Andreas Berkefeld; Warren E. Piers; Masood Parvez","Tandem Frustrated Lewis Pair/Tris(pentafluorophenyl)borane-Catalyzed Deoxygenative Hydrosilylation of Carbon Dioxide","Journal of the American Chemical Society","2010","132","","10660","10661","10.1021/ja105320c","","","0.71073","MoKα","","0.0634","0.0514","","","0.1374","0.1468","","","","","","1.039","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102818","11.2808","0.0002","11.2845","0.0002","17.7672","0.0004","74.0704","0.0012","83.6967","0.0009","63.4121","0.0011","1944.66","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H38.5 B Cl1.5 F15 N2 O2 -","- C37.5 H38.5 B Cl1.5 F15 N2 O2 -","- C75 H77 B2 Cl3 F30 N4 O4 -","2","1","","Andreas Berkefeld; Warren E. Piers; Masood Parvez","Tandem Frustrated Lewis Pair/Tris(pentafluorophenyl)borane-Catalyzed Deoxygenative Hydrosilylation of Carbon Dioxide","Journal of the American Chemical Society","2010","132","","10660","10661","10.1021/ja105320c","","","0.71073","MoKα","","0.058","0.05","","","0.128","0.136","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102819","13.5551","0.0011","14.9735","0.0012","16.5943","0.0014","84.728","0.002","70.008","0.001","75.54","0.001","3064.8","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H50 Cl14 N2 O8 Pt2 -","- C50 H50 Cl14 N2 O8 Pt2 -","- C100 H100 Cl28 N4 O16 Pt4 -","2","1","","Amedeo Santoro; Marcin Wegrzyn; Adrian C. Whitwood; Bertrand Donnio; Duncan W. Bruce","Oxidation of Organoplatinum(II) by Coordinated Dimethylsulfoxide: Metal-Metal Bonded, Dinuclear, Liquid-Crystalline Complexes of Platinum(III)","Journal of the American Chemical Society","2010","132","","10689","10691","10.1021/ja105469a","","","0.71073","MoKα","","0.0582","0.0399","","","0.1027","0.1138","","","","","","1.047","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102820","8.6644","0.0005","14.861","0.0009","16.4746","0.001","90","","97.4774","0.0007","90","","2103.3","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl O Sc -","- C22 H34 Cl O Sc -","- C88 H136 Cl4 O4 Sc4 -","4","1","","Selvan Demir; Sara E. Lorenz; Ming Fang; Filipp Furche; Gerd Meyer; Joseph W. Ziller; William J. Evans","Synthesis, Structure, and Density Functional Theory Analysis of a Scandium Dinitrogen Complex, [(C5Me4H)2Sc]2(μ-η2:η2-N2)","Journal of the American Chemical Society","2010","132","","11151","11158","10.1021/ja102681w","","","0.71073","MoKα","","0.0382","0.0333","","","0.0875","0.0913","","","","","","1.034","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102821","8.7813","0.0008","14.7244","0.0013","14.1177","0.0013","90","","92.186","0.002","90","","1824.1","0.3","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H31 Sc -","- C21 H31 Sc -","- C84 H124 Sc4 -","4","1","","Selvan Demir; Sara E. Lorenz; Ming Fang; Filipp Furche; Gerd Meyer; Joseph W. Ziller; William J. Evans","Synthesis, Structure, and Density Functional Theory Analysis of a Scandium Dinitrogen Complex, [(C5Me4H)2Sc]2(μ-η2:η2-N2)","Journal of the American Chemical Society","2010","132","","11151","11158","10.1021/ja102681w","","","0.71073","MoKα","","0.0324","0.0282","","","0.0767","0.0798","","","","","","1.037","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102822","11.8363","0.0013","11.9868","0.0013","12.408","0.0013","100.45","0.002","98.128","0.002","100.555","0.002","1674","0.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 B Sc -","- C42 H46 B Sc -","- C84 H92 B2 Sc2 -","2","1","","Selvan Demir; Sara E. Lorenz; Ming Fang; Filipp Furche; Gerd Meyer; Joseph W. Ziller; William J. Evans","Synthesis, Structure, and Density Functional Theory Analysis of a Scandium Dinitrogen Complex, [(C5Me4H)2Sc]2(μ-η2:η2-N2)","Journal of the American Chemical Society","2010","132","","11151","11158","10.1021/ja102681w","","","0.71073","MoKα","","0.107","0.0517","","","0.1023","0.1239","","","","","","1.01","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102823","8.4928","0.0009","10.101","0.001","18.458","0.0018","90","","90.339","0.001","90","","1583.4","0.3","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 N2 Sc2 -","- C36 H52 N2 Sc2 -","- C72 H104 N4 Sc4 -","2","0.5","","Selvan Demir; Sara E. Lorenz; Ming Fang; Filipp Furche; Gerd Meyer; Joseph W. Ziller; William J. Evans","Synthesis, Structure, and Density Functional Theory Analysis of a Scandium Dinitrogen Complex, [(C5Me4H)2Sc]2(μ-η2:η2-N2)","Journal of the American Chemical Society","2010","132","","11151","11158","10.1021/ja102681w","","","0.71073","MoKα","","0.0406","0.0327","","","0.0838","0.0885","","","","","","1.024","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4102824","8.837","0.0014","21.042","0.003","17.909","0.003","90","","91.485","0.002","90","","3329","0.9","148","2","148","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C72 H104 N2 O Sc4 -","- C72 H104 N2 O Sc4 -","- C144 H208 N4 O2 Sc8 -","2","1","","Selvan Demir; Sara E. Lorenz; Ming Fang; Filipp Furche; Gerd Meyer; Joseph W. Ziller; William J. Evans","Synthesis, Structure, and Density Functional Theory Analysis of a Scandium Dinitrogen Complex, [(C5Me4H)2Sc]2(μ-η2:η2-N2)","Journal of the American Chemical Society","2010","132","","11151","11158","10.1021/ja102681w","","","0.71073","MoKα","","0.1125","0.0675","","","0.1437","0.1647","","","","","","1.012","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102825","9.7378","0.0012","16.16","0.002","19.357","0.002","74.762","0.004","78.464","0.004","87.099","0.004","2879.6","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C101 H180 F12 Mn2 N4 O12 Sb2 -","- C101 H180 F12 Mn2 N4 O12 Sb2 -","- C101 H180 F12 Mn2 N4 O12 Sb2 -","1","1","","M. Kevin Brown; Megan M. Blewett; James R. Colombe; E. J. Corey","Mechanism of the Enantioselective Oxidation of Racemic Secondary Alcohols Catalyzed by Chiral Mn(III)-Salen Complexes","Journal of the American Chemical Society","2010","132","","11165","11170","10.1021/ja103103d","","","0.71073","MoKα","","0.0374","0.0335","","","0.0701","0.0719","","","","","","1.097","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102826","15.596","0.001","15.596","0.001","12.165","0.001","90","","90","","90","","2959","0.4","150","0.1","150","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H60 Cu4 I4 P4 -","- C60 H60 Cu4 I4 P4 -","- C120 H120 Cu8 I8 P8 -","2","0.25","","Sandrine Perruchas; Xavier F. Le Goff; Sébastien Maron; Isabelle Maurin; François Guillen; Alain Garcia; Thierry Gacoin; Jean-Pierre Boilot","Mechanochromic and Thermochromic Luminescence of a Copper Iodide Cluster","Journal of the American Chemical Society","2010","132","","10967","10969","10.1021/ja103431d","","","0.71069","MoKα","","0.0281","0.0234","","","0.0468","0.0482","","","","","","1.02","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102827","11.9884","0.0003","10.6312","0.0003","11.4497","0.0003","90","","110.779","0.003","90","","1364.36","0.07","123","","123","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N3 O -","- C14 H19 N3 O -","- C56 H76 N12 O4 -","4","1","","Roland Kleinmaier; Max Keller; Patrick Igel; Armin Buschauer; Ruth M. Gschwind","Conformations, Conformational Preferences, and Conformational Exchange of N'-Substituted N-Acylguanidines: Intermolecular Interactions Hold the Key","Journal of the American Chemical Society","2010","132","","11223","11233","10.1021/ja103756y","","x-ray","1.54184","CuKα","","0.0467","0.0377","","","0.0982","0.1024","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102828","7.4161","0.0005","8.3883","0.0006","12.2595","0.0009","89.462","0.006","85.558","0.006","75.247","0.006","735.24","0.09","123","","123","","","","","","","","see text","5","P -1","-P 1","2","","","","- C13 H20 Cl N3 O2 -","- C13 H20 Cl N3 O2 -","- C26 H40 Cl2 N6 O4 -","2","1","","Roland Kleinmaier; Max Keller; Patrick Igel; Armin Buschauer; Ruth M. Gschwind","Conformations, Conformational Preferences, and Conformational Exchange of N'-Substituted N-Acylguanidines: Intermolecular Interactions Hold the Key","Journal of the American Chemical Society","2010","132","","11223","11233","10.1021/ja103756y","","x-ray","1.54184","CuKα","","0.0351","0.0322","","","0.0867","0.0889","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102829","9.0041","0.0004","11.0498","0.0005","12.8215","0.0006","80.593","0.001","89.867","0.001","82.296","0.001","1246.89","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","krace01","","","- C24 H20 P2 Pb Se4 -","- C24 H20 P2 Pb Se4 -","- C48 H40 P4 Pb2 Se8 -","2","1","","Christopher M. Evans; Meagan E. Evans; Todd D. Krauss","Mysteries of TOPSe Revealed: Insights into Quantum Dot Nucleation","Journal of the American Chemical Society","2010","132","","10973","10975","10.1021/ja103805s","","","0.71073","MoKα","","0.0649","0.0393","","","0.0697","0.0778","","","","","","0.968","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102830","10.727","0.001","9.2844","0.0007","14.794","0.001","90","","90","","90","","1473.4","0.2","295","2","295","","","","","","","","By decomposition of Ba~8~Ge~43~ at 400 \%C","2","P m n a","-P 2ac 2","53","","","","- Ba Ge5 -","- Ba Ge5 -","- Ba10 Ge50 -","10","1.25","","Umut Aydemir; Lev Akselrud; Wilder Carrillo-Cabrera; Christophe Candolfi; Niels Oeschler; Michael Baitinger; Frank Steglich; Yuri Grin","BaGe5: A New Type of Intermetallic Clathrate","Journal of the American Chemical Society","2010","132","","10984","10985","10.1021/ja104197c","powder diffraction","","0.35415","synchrotron","","","","","","","","","0.066","1.7","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102831","9.4996","0.0007","20.2853","0.0015","12.898","0.001","90","","109.21","0.001","90","","2347.1","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H62 Cl3 N O P2 Pd -","- C51 H62 Cl3 N O P2 Pd -","- C102 H124 Cl6 N2 O2 P4 Pd2 -","2","1","","Xiaoqiang Shen; Gavin O. Jones; Donald A. Watson; Brijesh Bhayana; Stephen L. Buchwald","Enantioselective Synthesis of Axially Chiral Biaryls by the Pd-Catalyzed Suzuki-Miyaura Reaction: Substrate Scope and Quantum Mechanical Investigations","Journal of the American Chemical Society","2010","132","","11278","11287","10.1021/ja104297g","","","0.71073","MoKα","","0.0429","0.0366","","","0.0572","0.0587","","","","","","1.509","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102832","9.2517","0.0008","10.7629","0.001","19.7165","0.0017","90","","90","","90","","1963.3","0.3","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 O P -","- C23 H27 O P -","- C92 H108 O4 P4 -","4","1","","Xiaoqiang Shen; Gavin O. Jones; Donald A. Watson; Brijesh Bhayana; Stephen L. Buchwald","Enantioselective Synthesis of Axially Chiral Biaryls by the Pd-Catalyzed Suzuki-Miyaura Reaction: Substrate Scope and Quantum Mechanical Investigations","Journal of the American Chemical Society","2010","132","","11278","11287","10.1021/ja104297g","","","0.71073","MoKα","","0.0447","0.0395","","","0.1024","0.1067","","","","","","1.034","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102833","7.721","0.0002","16.4788","0.0004","17.0606","0.0004","90","","99.512","0.001","90","","2140.82","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H27 N O -","- C28 H27 N O -","- C112 H108 N4 O4 -","4","2","","Xiaoqiang Shen; Gavin O. Jones; Donald A. Watson; Brijesh Bhayana; Stephen L. Buchwald","Enantioselective Synthesis of Axially Chiral Biaryls by the Pd-Catalyzed Suzuki-Miyaura Reaction: Substrate Scope and Quantum Mechanical Investigations","Journal of the American Chemical Society","2010","132","","11278","11287","10.1021/ja104297g","","","1.54178","CuKα","","0.0281","0.0278","","","0.0735","0.0737","","","","","","1.034","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102834","8.0348","0.0016","8.7388","0.0017","14.579","0.003","87.51","0.03","77.91","0.03","89.79","0.03","1000","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O8 -","- C24 H24 O8 -","- C48 H48 O16 -","2","1","","K. C. Nicolaou; Jianhua Wang; Yefeng Tang; Lorenzo Botta","Total Synthesis of Sporolide B and 9-epi-Sporolide B","Journal of the American Chemical Society","2010","132","","11350","11363","10.1021/ja1048994","","","0.71073","MoKα","","0.1205","0.0549","","","0.1329","0.1625","","","","","","0.985","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102835","8.0648","0.0016","10.074","0.002","18.524","0.004","105.62","0.03","91.61","0.03","108.26","0.03","1366","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H32 O8 -","- C32 H32 O8 -","- C64 H64 O16 -","2","1","","K. C. Nicolaou; Jianhua Wang; Yefeng Tang; Lorenzo Botta","Total Synthesis of Sporolide B and 9-epi-Sporolide B","Journal of the American Chemical Society","2010","132","","11350","11363","10.1021/ja1048994","","","0.71073","MoKα","","0.0746","0.0562","","","0.1315","0.1417","","","","","","1.07","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102836","8.8015","0.0018","9.3256","0.0019","12.532","0.003","80.73","0.03","83.4","0.03","81.91","0.03","1000.6","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O6 -","- C24 H24 O6 -","- C48 H48 O12 -","2","1","","K. C. Nicolaou; Jianhua Wang; Yefeng Tang; Lorenzo Botta","Total Synthesis of Sporolide B and 9-epi-Sporolide B","Journal of the American Chemical Society","2010","132","","11350","11363","10.1021/ja1048994","","","0.71073","MoKα","","0.0701","0.0575","","","0.1457","0.1554","","","","","","1.06","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102837","18.1","0.006","18.1","0.006","15.019","0.008","90","","90","","90","","4920","3","174","2","174","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C38 H80 Mo P4 Pt2 Si2 -","- C38 H80 Mo P4 Pt2 Si2 -","- C152 H320 Mo4 P16 Pt8 Si8 -","4","0.5","","Holger Braunschweig; Peter Brenner; Manuela Gross; Krzysztof Radacki","Reactivity of [1],[1]Disilamolybdenocenophane toward Zerovalent Platinum Complexes","Journal of the American Chemical Society","2010","132","","11343","11349","10.1021/ja1049548","","","0.71073","MoKα","","0.0354","0.0288","","","0.0659","0.0702","","","","","","1.148","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102838","38.232","0.002","13.6822","0.0007","20.0104","0.0011","90","","96.374","0.003","90","","10402.7","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C103.5 H176 Mo2 P4 Pt4 Si4 -","- C103.5 H176 Mo2 P4 Pt4 Si4 -","- C414 H704 Mo8 P16 Pt16 Si16 -","4","1","","Holger Braunschweig; Peter Brenner; Manuela Gross; Krzysztof Radacki","Reactivity of [1],[1]Disilamolybdenocenophane toward Zerovalent Platinum Complexes","Journal of the American Chemical Society","2010","132","","11343","11349","10.1021/ja1049548","","","0.71073","MoKα","","0.0737","0.0441","","","0.0806","0.0896","","","","","","1.093","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102839","9.4347","0.0011","11.0663","0.0012","16.4581","0.0019","72.678","0.003","85.306","0.004","78.765","0.003","1608.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H53 Mo P Pt Si2 -","- C32 H53 Mo P Pt Si2 -","- C64 H106 Mo2 P2 Pt2 Si4 -","2","1","","Holger Braunschweig; Peter Brenner; Manuela Gross; Krzysztof Radacki","Reactivity of [1],[1]Disilamolybdenocenophane toward Zerovalent Platinum Complexes","Journal of the American Chemical Society","2010","132","","11343","11349","10.1021/ja1049548","","","0.71073","MoKα","","0.0221","0.0215","","","0.0526","0.0531","","","","","","1.047","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102840","9.1633","0.0012","11.3828","0.0016","16.167","0.002","93.76","0.006","99.869","0.005","104.304","0.006","1599.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H53 Mo P Pt Si2 -","- C32 H53 Mo P Pt Si2 -","- C64 H106 Mo2 P2 Pt2 Si4 -","2","1","","Holger Braunschweig; Peter Brenner; Manuela Gross; Krzysztof Radacki","Reactivity of [1],[1]Disilamolybdenocenophane toward Zerovalent Platinum Complexes","Journal of the American Chemical Society","2010","132","","11343","11349","10.1021/ja1049548","","","0.71073","MoKα","","0.0229","0.0206","","","0.0514","0.0525","","","","","","1.056","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102841","7.542","0.003","12.024","0.005","19.024","0.009","86.392","0.014","81.246","0.015","86.001","0.015","1698.5","1.3","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","","","- C88 H98 -","- C88 H98 -","- C88 H98 -","1","0.5","","Akihito Konishi; Yasukazu Hirao; Masayoshi Nakano; Akihiro Shimizu; Edith Botek; Benoît Champagne; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Kouzou Matsumoto; Hiroyuki Kurata; Takashi Kubo","Synthesis and Characterization of Teranthene: A Singlet Biradical Polycyclic Aromatic Hydrocarbon Having Kekulé Structures","Journal of the American Chemical Society","2010","132","","11021","11023","10.1021/ja1049737","","","0.71075","MoKα","","0.0917","0.0567","","","0.1734","0.1969","","","","","","1.086","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102842","10.8506","0.0018","13.267","0.002","17.997","0.003","90","","90","","90","","2590.8","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 N O4 -","- C32 H29 N O4 -","- C128 H116 N4 O16 -","4","1","","Yvette S. Mimieux Vaske; Maximillian E. Mahoney; Joseph P. Konopelski; David L. Rogow; William J. McDonald","Enantiomerically Puretrans-β-Lactams from α-Amino Acids via Compact Fluorescent Light (CFL) Continuous-Flow Photolysis","Journal of the American Chemical Society","2010","132","","11379","11385","10.1021/ja1050023","","","0.71073","MoKα","","0.0434","0.0341","","","0.071","0.0753","","","","","","1.021","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102843","9.51","0.003","11.941","0.006","23.992","0.008","90","","92.13","0.03","90","","2722.6","1.9","133","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H31 N2 O4 -","- C33 H31 N2 O4 -","- C132 H124 N8 O16 -","4","2","","Yvette S. Mimieux Vaske; Maximillian E. Mahoney; Joseph P. Konopelski; David L. Rogow; William J. McDonald","Enantiomerically Puretrans-β-Lactams from α-Amino Acids via Compact Fluorescent Light (CFL) Continuous-Flow Photolysis","Journal of the American Chemical Society","2010","132","","11379","11385","10.1021/ja1050023","","","0.71073","MoKα","","0.0698","0.0447","","","0.0892","0.1004","","","","","","1.009","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102844","7.76","0.013","10.958","0.019","15.61","0.03","90","","99.559","0.016","90","","1309","4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H33 N2 O4 -","- C33 H33 N2 O4 -","- C66 H66 N4 O8 -","2","1","","Yvette S. Mimieux Vaske; Maximillian E. Mahoney; Joseph P. Konopelski; David L. Rogow; William J. McDonald","Enantiomerically Puretrans-β-Lactams from α-Amino Acids via Compact Fluorescent Light (CFL) Continuous-Flow Photolysis","Journal of the American Chemical Society","2010","132","","11379","11385","10.1021/ja1050023","","","0.71073","MoKα","","0.0306","0.0285","","","0.0685","0.07","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102845","9.3264","0.0014","14.781","0.002","18.711","0.003","90","","90","","90","","2579.4","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N4 O5 -","- C28 H29 N4 O5 -","- C112 H116 N16 O20 -","4","1","","Yvette S. Mimieux Vaske; Maximillian E. Mahoney; Joseph P. Konopelski; David L. Rogow; William J. McDonald","Enantiomerically Puretrans-β-Lactams from α-Amino Acids via Compact Fluorescent Light (CFL) Continuous-Flow Photolysis","Journal of the American Chemical Society","2010","132","","11379","11385","10.1021/ja1050023","","","0.71073","MoKα","","0.0431","0.0385","","","0.0986","0.1024","","","","","","1.066","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102846","24.534","0.006","9.96","0.003","12.424","0.003","90","","90","","90","","3035.9","1.4","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C38 H36 N2 O4 -","- C38 H36 N2 O4 -","- C152 H144 N8 O16 -","4","1","","Yvette S. Mimieux Vaske; Maximillian E. Mahoney; Joseph P. Konopelski; David L. Rogow; William J. McDonald","Enantiomerically Puretrans-β-Lactams from α-Amino Acids via Compact Fluorescent Light (CFL) Continuous-Flow Photolysis","Journal of the American Chemical Society","2010","132","","11379","11385","10.1021/ja1050023","","","0.71073","MoKα","","0.0443","0.0364","","","0.0845","0.0886","","","","","","1.136","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102847","13.602","0.003","14.663","0.003","14.029","0.003","90","","95.01","0.03","90","","2787.3","1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 B N2 O2 S -","- C29 H41 B N2 O2 S -","- C116 H164 B4 N8 O8 S4 -","4","1","","Hao Wang; Jianying Zhang; Hongfan Hu; Chunming Cui","Access to B=S and B=Se Double Bonds via Sulfur and Selenium Insertion into a B-H Bond and Hydrogen Migration","Journal of the American Chemical Society","2010","132","","10998","10999","10.1021/ja105021d","","","0.71073","MoKα","","0.1043","0.096","","","0.2611","0.2708","","","","","","1.152","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102848","13.375","0.007","14.196","0.008","14.971","0.008","90","","90.145","0.007","90","","2843","3","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 B N2 O2 Se -","- C29 H41 B N2 O2 Se -","- C116 H164 B4 N8 O8 Se4 -","4","1","","Hao Wang; Jianying Zhang; Hongfan Hu; Chunming Cui","Access to B=S and B=Se Double Bonds via Sulfur and Selenium Insertion into a B-H Bond and Hydrogen Migration","Journal of the American Chemical Society","2010","132","","10998","10999","10.1021/ja105021d","","","0.71073","MoKα","","0.0633","0.0566","","","0.1434","0.1498","","","","","","1.045","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102849","10.096","0.008","11.064","0.01","11.9103","0.0014","89.107","0.008","78.26","0.008","75.326","0.007","1259.2","1.5","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 Fe -","- C16 H14 Fe -","- C64 H56 Fe4 -","4","2","","Joseph M. O'Connor; Kim K. Baldridge; Betsy L. Rodgers; Marissa Aubrey; Ryan L. Holland; W. Scott Kassel; Arnold L. Rheingold","A Photochemical Metallocene Route to Anionic Enediynes: Synthesis, Solid-State Structures, and ab Initio Computations on Cyclopentadienidoenediynes","Journal of the American Chemical Society","2010","132","","11030","11032","10.1021/ja105149k","","","0.71073","MoKα","","0.0546","0.0427","","","0.1055","0.1129","","","","","","1.033","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102850","12.3912","0.0008","18.543","0.0012","19.2709","0.0012","91.317","0.001","105.934","0.001","95.163","0.001","4235.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 Fe O2 -","- C28 H18 Fe O2 -","- C224 H144 Fe8 O16 -","8","4","","Joseph M. O'Connor; Kim K. Baldridge; Betsy L. Rodgers; Marissa Aubrey; Ryan L. Holland; W. Scott Kassel; Arnold L. Rheingold","A Photochemical Metallocene Route to Anionic Enediynes: Synthesis, Solid-State Structures, and ab Initio Computations on Cyclopentadienidoenediynes","Journal of the American Chemical Society","2010","132","","11030","11032","10.1021/ja105149k","","","0.71073","MoKα","","0.0377","0.0334","","","0.0872","0.0895","","","","","","1.079","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102851","10.2259","0.0006","11.7586","0.0007","13.5232","0.0008","100.77","0.001","103.04","0.001","94.48","0.001","1543.89","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 Fe O4 -","- C18 H14 Fe O4 -","- C72 H56 Fe4 O16 -","4","2","","Joseph M. O'Connor; Kim K. Baldridge; Betsy L. Rodgers; Marissa Aubrey; Ryan L. Holland; W. Scott Kassel; Arnold L. Rheingold","A Photochemical Metallocene Route to Anionic Enediynes: Synthesis, Solid-State Structures, and ab Initio Computations on Cyclopentadienidoenediynes","Journal of the American Chemical Society","2010","132","","11030","11032","10.1021/ja105149k","","","0.71073","MoKα","","0.0349","0.0306","","","0.0759","0.0786","","","","","","1.028","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102852","13.2416","0.001","17.3908","0.0013","23.0341","0.0017","90","","90.8","0.001","90","","5303.8","0.7","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C69 H57 Fe O2 P3 -","- C69 H57 Fe O2 P3 -","- C276 H228 Fe4 O8 P12 -","4","2","","Joseph M. O'Connor; Kim K. Baldridge; Betsy L. Rodgers; Marissa Aubrey; Ryan L. Holland; W. Scott Kassel; Arnold L. Rheingold","A Photochemical Metallocene Route to Anionic Enediynes: Synthesis, Solid-State Structures, and ab Initio Computations on Cyclopentadienidoenediynes","Journal of the American Chemical Society","2010","132","","11030","11032","10.1021/ja105149k","","","0.71073","MoKα","","0.0483","0.0407","","","0.0951","0.0988","","","","","","1.019","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102853","9.9968","0.0005","25.255","0.0012","22.4254","0.0011","90","","96.173","0.001","90","","5628.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H53 Fe O4 P3 -","- C59 H53 Fe O4 P3 -","- C236 H212 Fe4 O16 P12 -","4","1","","Joseph M. O'Connor; Kim K. Baldridge; Betsy L. Rodgers; Marissa Aubrey; Ryan L. Holland; W. Scott Kassel; Arnold L. Rheingold","A Photochemical Metallocene Route to Anionic Enediynes: Synthesis, Solid-State Structures, and ab Initio Computations on Cyclopentadienidoenediynes","Journal of the American Chemical Society","2010","132","","11030","11032","10.1021/ja105149k","","","0.71073","MoKα","","0.0713","0.0587","","","0.1575","0.1633","","","","","","1.088","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102854","8.487","0.009","11.047","0.012","15.467","0.017","102.312","0.015","97.659","0.015","90.56","0.016","1403","3","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 Cl2 N4 O6 S2 -","- C24 H30 Cl2 N4 O6 S2 -","- C48 H60 Cl4 N8 O12 S4 -","2","1","","Xiaohua Li; Samuel J. Danishefsky","Cyclobutenone as a Highly Reactive Dienophile: Expanding Upon Diels-Alder Paradigms","Journal of the American Chemical Society","2010","132","","11004","11005","10.1021/ja1056888","","","0.71073","MoKα","","0.5785","0.1455","","","0.2807","0.4383","","","","","","0.867","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102855","6.946","0.0006","8.9632","0.0008","10.3522","0.0009","90","","90","","90","","644.51","0.1","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","","Xiaohua Li; Samuel J. Danishefsky","Cyclobutenone as a Highly Reactive Dienophile: Expanding Upon Diels-Alder Paradigms","Journal of the American Chemical Society","2010","132","","11004","11005","10.1021/ja1056888","","","0.71073","MoKα","","0.0368","0.0347","","","0.0911","0.0933","","","","","","1.069","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102856","16.6571","0.0015","10.4157","0.0009","19.8332","0.0018","90","","90","","90","","3441","0.5","125","2","125","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C192 H144 O16 -","8","1","","Xiaohua Li; Samuel J. Danishefsky","Cyclobutenone as a Highly Reactive Dienophile: Expanding Upon Diels-Alder Paradigms","Journal of the American Chemical Society","2010","132","","11004","11005","10.1021/ja1056888","","","0.71073","MoKα","","0.0635","0.0482","","","0.1174","0.1254","","","","","","1.111","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102857","18.042","0.003","9.7546","0.0014","18.24","0.003","90","","113.561","0.003","90","","2942.5","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 -","- C19 H18 N2 -","- C152 H144 N16 -","8","2","","Hao Shen; Zuowei Xie","Atom-Economical Synthesis of N-Heterocycles via Cascade Inter-/Intramolecular C-N Bond-Forming Reactions Catalyzed by Ti Amides","Journal of the American Chemical Society","2010","132","","11473","11480","10.1021/ja101796k","","","0.71073","MoKα","","0.1131","0.0539","","","0.1326","0.1746","","","","","","1.006","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102858","10.187","0.005","15.423","0.008","9.57","0.005","90","","90","","90","","1503.6","1.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Hao Shen; Zuowei Xie","Atom-Economical Synthesis of N-Heterocycles via Cascade Inter-/Intramolecular C-N Bond-Forming Reactions Catalyzed by Ti Amides","Journal of the American Chemical Society","2010","132","","11473","11480","10.1021/ja101796k","","","0.71073","MoKα","","0.0555","0.0395","","","0.1007","0.1134","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102859","20.1718","0.0006","5.8933","0.0002","27.0472","0.0008","90","","100.746","0.001","90","","3158.94","0.17","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N2 -","- C20 H20 N2 -","- C160 H160 N16 -","8","1","","Hao Shen; Zuowei Xie","Atom-Economical Synthesis of N-Heterocycles via Cascade Inter-/Intramolecular C-N Bond-Forming Reactions Catalyzed by Ti Amides","Journal of the American Chemical Society","2010","132","","11473","11480","10.1021/ja101796k","","","0.71073","MoKα","","0.1032","0.0583","","","0.1733","0.217","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102860","19.3","0.03","51.31","0.07","5.903","0.008","90","","90","","90","","5846","14","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C272 H256 N32 -","16","1","","Hao Shen; Zuowei Xie","Atom-Economical Synthesis of N-Heterocycles via Cascade Inter-/Intramolecular C-N Bond-Forming Reactions Catalyzed by Ti Amides","Journal of the American Chemical Society","2010","132","","11473","11480","10.1021/ja101796k","","","0.71073","MoKα","","0.1357","0.0511","","","0.1022","0.1318","","","","","","0.996","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102861","19.342","0.001","17.36","0.001","12.514","0.001","90","","90","","90","","4201.9","0.5","50","","50","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H52 B2 Cu2 F8 N8 O4 -","- C36 H52 B2 Cu2 F8 N8 O4 -","- C144 H208 B8 Cu8 F32 N32 O16 -","4","0.5","","Atsushi Okazawa; Daisuke Hashizume; Takayuki Ishida","Ferro- and Antiferromagnetic Coupling Switch Accompanied by Twist Deformation around the Copper(II) and Nitroxide Coordination Bond","Journal of the American Chemical Society","2010","132","","11516","11524","10.1021/ja102163d","","","0.61792","synchrotron","","0.0667","0.0411","","","0.0937","0.114","","","","","","1.026","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102862","20.012","0.001","17.27","0.001","12.711","0.001","90","","90","","90","","4393","0.5","300","","300","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H52 B2 Cu2 F8 N8 O4 -","- C36 H52 B2 Cu2 F8 N8 O4 -","- C144 H208 B8 Cu8 F32 N32 O16 -","4","0.5","","Atsushi Okazawa; Daisuke Hashizume; Takayuki Ishida","Ferro- and Antiferromagnetic Coupling Switch Accompanied by Twist Deformation around the Copper(II) and Nitroxide Coordination Bond","Journal of the American Chemical Society","2010","132","","11516","11524","10.1021/ja102163d","","","0.6869","synchrotron","","0.0716","0.0565","","","0.1527","0.1696","","","","","","1.087","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102863","19.771","0.015","17.178","0.015","12.672","0.011","90","","90","","90","","4304","6","90","","90","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H52 Cl2 Cu2 N8 O12 -","- C36 H52 Cl2 Cu2 N8 O12 -","- C144 H208 Cl8 Cu8 N32 O48 -","4","0.5","","Atsushi Okazawa; Daisuke Hashizume; Takayuki Ishida","Ferro- and Antiferromagnetic Coupling Switch Accompanied by Twist Deformation around the Copper(II) and Nitroxide Coordination Bond","Journal of the American Chemical Society","2010","132","","11516","11524","10.1021/ja102163d","","","0.71073","MoKα","","","0.0308","","","","0.0388","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102864","18.193","0.004","3.8471","0.0008","14.112","0.003","90","","91.958","0.014","90","","987.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6'-dehydroxyoxyluciferin","","","- C10 H6 N2 O S2 -","- C10 H6 N2 O S2 -","- C40 H24 N8 O4 S8 -","4","1","","Panče Naumov; Manoj Kochunnoonny","Spectral-Structural Effects of the Keto-Enol-Enolate and Phenol-Phenolate Equilibria of Oxyluciferin","Journal of the American Chemical Society","2010","132","","11566","11579","10.1021/ja102885g","","","0.71073","MoKα","","0.1083","0.0647","","","0.1608","0.1965","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102865","5.3039","0.0002","9.4806","0.0005","23.0485","0.0011","90","","90","","90","","1158.97","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","D(-)-luciferin","","","- C11 H8 N2 O3 S2 -","- C11 H8 N2 O3 S2 -","- C44 H32 N8 O12 S8 -","4","1","","Panče Naumov; Manoj Kochunnoonny","Spectral-Structural Effects of the Keto-Enol-Enolate and Phenol-Phenolate Equilibria of Oxyluciferin","Journal of the American Chemical Society","2010","132","","11566","11579","10.1021/ja102885g","","","0.71073","MoKα","","0.0538","0.0381","","","0.0843","0.0907","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102866","11.3882","0.0003","10.7673","0.0004","20.474","0.0008","90","","90","","90","","2510.53","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-dehydroxy-5,5-dimethyloxyluciferin","","","- C12 H12 N2 O S2 -","- C12 H12 N2 O S2 -","- C96 H96 N16 O8 S16 -","8","1","","Panče Naumov; Manoj Kochunnoonny","Spectral-Structural Effects of the Keto-Enol-Enolate and Phenol-Phenolate Equilibria of Oxyluciferin","Journal of the American Chemical Society","2010","132","","11566","11579","10.1021/ja102885g","","","0.71073","MoKα","","0.0908","0.0447","","","0.0949","0.1089","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102867","6.0196","0.0007","10.3193","0.0012","23.441","0.003","90","","90","","90","","1456.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","D(-)-5,5-dimethylluciferin","","","- C13 H14 N2 O4 S2 -","- C13 H14 N2 O4 S2 -","- C52 H56 N8 O16 S8 -","4","1","","Panče Naumov; Manoj Kochunnoonny","Spectral-Structural Effects of the Keto-Enol-Enolate and Phenol-Phenolate Equilibria of Oxyluciferin","Journal of the American Chemical Society","2010","132","","11566","11579","10.1021/ja102885g","","","0.71073","MoKα","","0.03","0.025","","","0.054","0.0561","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102868","9.3204","0.0002","13.5483","0.0002","6.5794","0.0001","90","","106.479","0.001","90","","796.69","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0376","0.036","","","0.0901","0.0915","","","","","","1.109","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102869","9.3198","0.0002","13.548","0.0002","6.579","0.0001","90","","106.475","0.001","90","","796.59","0.02","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0355","0.0338","","","0.0827","0.0842","","","","","","1.129","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102870","9.3198","0.0002","13.5479","0.0002","6.5789","0.0001","90","","106.472","0.001","90","","796.58","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0355","0.0339","","","0.0823","0.0835","","","","","","1.116","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102871","9.3199","0.0002","13.548","0.0002","6.5788","0.0001","90","","106.468","0.001","90","","796.6","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.098","0.0947","","","0.2385","0.2424","","","","","","1.081","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102872","9.3203","0.0002","13.5485","0.0002","6.5792","0.0001","90","","106.466","0.001","90","","796.72","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0968","0.094","","","0.2355","0.2401","","","","","","1.08","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102873","9.3201","0.0002","13.548","0.0002","6.5789","0.0001","90","","106.464","0.001","90","","796.65","0.02","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0971","0.0944","","","0.2376","0.2412","","","","","","1.078","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102874","9.3204","0.0002","13.548","0.0003","6.5788","0.0001","90","","106.46","0.001","90","","796.68","0.03","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0966","0.0939","","","0.2352","0.2395","","","","","","1.08","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102875","9.3208","0.0002","13.5481","0.0002","6.5791","0.0001","90","","106.456","0.001","90","","796.77","0.02","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0343","0.0329","","","0.0806","0.0817","","","","","","1.104","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102876","9.3211","0.0002","13.5484","0.0003","6.579","0.0001","90","","106.45","0.001","90","","796.83","0.03","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0959","0.0931","","","0.2332","0.2369","","","","","","1.08","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102877","9.3214","0.0002","13.5483","0.0003","6.5792","0.0001","90","","106.446","0.001","90","","796.89","0.03","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0963","0.093","","","0.2294","0.2334","","","","","","1.078","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102878","9.3218","0.0002","13.549","0.0002","6.5793","0.0001","90","","106.44","0.001","90","","797","0.02","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0949","0.0923","","","0.2324","0.2359","","","","","","1.082","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102879","9.3218","0.0002","13.5491","0.0002","6.5792","0.0001","90","","106.437","0.001","90","","797.01","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0945","0.0913","","","0.2299","0.234","","","","","","1.078","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102880","9.3222","0.0002","13.549","0.0002","6.5794","0.0001","90","","106.433","0.001","90","","797.07","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0951","0.0916","","","0.2294","0.2341","","","","","","1.082","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102881","9.3226","0.0002","13.5496","0.0002","6.5794","0.0001","90","","106.427","0.001","90","","797.17","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.094","0.0911","","","0.2277","0.2318","","","","","","1.082","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102882","9.3231","0.0002","13.5498","0.0002","6.5795","0.0001","90","","106.42","0.001","90","","797.26","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0934","0.0907","","","0.2256","0.2291","","","","","","1.092","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102883","9.3232","0.0002","13.5499","0.0002","6.5795","0.0001","90","","106.417","0.001","90","","797.29","0.02","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0932","0.0902","","","0.2258","0.2297","","","","","","1.095","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102884","9.3231","0.0002","13.5497","0.0003","6.5793","0.0001","90","","106.414","0.001","90","","797.26","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0932","0.0904","","","0.2252","0.2289","","","","","","1.085","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102885","9.3237","0.0002","13.55","0.0002","6.5797","0.0001","90","","106.408","0.001","90","","797.4","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0933","0.0903","","","0.2244","0.2283","","","","","","1.092","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102886","9.324","0.0002","13.5505","0.0002","6.5797","0.0001","90","","106.404","0.001","90","","797.47","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0925","0.0894","","","0.2256","0.2299","","","","","","1.071","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102887","9.3222","0.0001","13.5569","0.0001","6.5852","0.0001","90","","106.507","0.001","90","","797.938","0.016","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0512","0.0455","","","0.1149","0.1221","","","","","","1.03","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102888","9.3252","0.0002","13.5608","0.0002","6.5854","0.0001","90","","106.442","0.001","90","","798.72","0.02","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0482","0.0414","","","0.1119","0.1183","","","","","","1.03","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102889","9.3297","0.0002","13.5636","0.0003","6.5887","0.0002","90","","106.349","0.001","90","","800.05","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0556","0.0465","","","0.1263","0.1343","","","","","","1.035","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102890","9.3348","0.0003","13.5692","0.0005","6.5881","0.0003","90","","106.298","0.002","90","","800.95","0.05","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0626","0.0503","","","0.1314","0.1405","","","","","","1.033","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102891","9.3356","0.0003","13.5689","0.0005","6.5929","0.0003","90","","106.24","0.002","90","","801.82","0.05","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.088","0.0658","","","0.1645","0.1786","","","","","","1.04","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102892","9.3409","0.0006","13.5708","0.0009","6.5947","0.0004","90","","106.193","0.004","90","","802.8","0.09","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.1062","0.0605","","","0.1592","0.1856","","","","","","1.025","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102893","9.3362","0.0008","13.5746","0.0012","6.6014","0.0006","90","","106.262","0.006","90","","803.16","0.13","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.1157","0.0628","","","0.1655","0.1927","","","","","","1.042","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102894","9.3425","0.0008","13.5732","0.0012","6.6003","0.0006","90","","106.186","0.006","90","","803.79","0.13","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.1419","0.0878","","","0.2169","0.2556","","","","","","0.977","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102895","9.346","0.0007","13.5777","0.0012","6.5936","0.0005","90","","106.204","0.006","90","","803.47","0.11","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.1549","0.0895","","","0.2082","0.2509","","","","","","0.967","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102896","9.3485","0.0006","13.583","0.001","6.5934","0.0005","90","","106.167","0.005","90","","804.13","0.1","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.1505","0.0781","","","0.1766","0.214","","","","","","0.946","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102897","9.3479","0.0006","13.5823","0.001","6.5943","0.0005","90","","106.151","0.005","90","","804.21","0.1","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.1568","0.073","","","0.1689","0.2054","","","","","","0.954","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102898","9.3502","0.0006","13.5844","0.001","6.5948","0.0005","90","","106.122","0.005","90","","804.71","0.1","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.1652","0.0719","","","0.16","0.1933","","","","","","0.958","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102899","9.3316","0.0011","13.5678","0.0016","6.5866","0.0007","90","","106.178","0.007","90","","800.9","0.16","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.1942","0.0828","","","0.2118","0.2882","","","","","","1.894","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102900","9.3235","0.0006","13.5573","0.0009","6.5865","0.0005","90","","106.533","0.001","90","","798.12","0.1","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0252","0.024","","","0.0602","0.0607","","","","","","1.121","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102901","9.3242","0.0002","13.5575","0.0003","6.5875","0.0001","90","","106.517","0.001","90","","798.38","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0913","0.0576","","","0.1464","0.1665","","","","","","1.02","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102902","9.3244","0.0002","13.5579","0.0003","6.5877","0.0001","90","","106.512","0.001","90","","798.47","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0902","0.0569","","","0.1463","0.1671","","","","","","1.015","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102903","9.3245","0.0002","13.5582","0.0003","6.5876","0.0001","90","","106.504","0.001","90","","798.51","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0913","0.0575","","","0.1519","0.1743","","","","","","1.009","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102904","9.3249","0.0002","13.5583","0.0003","6.5875","0.0001","90","","106.5","0.001","90","","798.56","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0923","0.0595","","","0.1518","0.1721","","","","","","1.018","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102905","9.3257","0.0002","13.5589","0.0003","6.5879","0.0001","90","","106.496","0.001","90","","798.73","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0905","0.0585","","","0.1509","0.1708","","","","","","1.013","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102906","9.3253","0.0002","13.5586","0.0003","6.5877","0.0001","90","","106.492","0.001","90","","798.67","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0935","0.0595","","","0.1551","0.1776","","","","","","1.011","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102907","9.3257","0.0002","13.5587","0.0003","6.5876","0.0001","90","","106.487","0.001","90","","798.72","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0932","0.0589","","","0.1494","0.171","","","","","","1.013","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102908","9.3265","0.0002","13.5596","0.0003","6.5879","0.0001","90","","106.484","0.001","90","","798.89","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0946","0.0602","","","0.1551","0.1772","","","","","","1.022","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102909","9.3267","0.0002","13.5596","0.0003","6.588","0.0001","90","","106.48","0.001","90","","798.93","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0925","0.0594","","","0.155","0.1765","","","","","","1.017","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102910","9.3261","0.0002","13.5597","0.0003","6.5877","0.0001","90","","106.475","0.001","90","","798.87","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0931","0.0596","","","0.153","0.1747","","","","","","1.015","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102911","9.3268","0.0002","13.56","0.0003","6.5878","0.0001","90","","106.472","0.001","90","","798.97","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0936","0.06","","","0.1586","0.1816","","","","","","1.006","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102912","9.3264","0.0002","13.559","0.0003","6.5876","0.0001","90","","106.471","0.001","90","","798.86","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0932","0.0591","","","0.1508","0.1718","","","","","","1.014","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102913","9.3266","0.0002","13.5579","0.0003","6.5869","0.0001","90","","106.462","0.001","90","","798.77","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0961","0.0618","","","0.1582","0.1802","","","","","","1.015","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102914","9.3286","0.0002","13.5614","0.0003","6.5881","0.0001","90","","106.447","0.001","90","","799.35","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0948","0.0617","","","0.1597","0.1819","","","","","","1.007","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102915","9.3294","0.0002","13.5627","0.0003","6.5886","0.0001","90","","106.44","0.001","90","","799.58","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0962","0.0626","","","0.1617","0.1839","","","","","","1.012","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102916","9.3299","0.0002","13.5634","0.0003","6.5888","0.0001","90","","106.436","0.001","90","","799.71","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0973","0.0634","","","0.1657","0.1884","","","","","","1.011","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102917","9.3301","0.0002","13.5634","0.0003","6.5888","0.0001","90","","106.43","0.001","90","","799.75","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0973","0.0635","","","0.1654","0.1875","","","","","","1.013","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102918","9.3308","0.0002","13.5643","0.0003","6.589","0.0001","90","","106.428","0.001","90","","799.9","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0949","0.0622","","","0.1644","0.1878","","","","","","1.008","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102919","9.3303","0.0002","13.5634","0.0003","6.5888","0.0001","90","","106.422","0.001","90","","799.8","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0925","0.0603","","","0.1586","0.1799","","","","","","1.007","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102920","9.3298","0.0002","13.5627","0.0003","6.5882","0.0001","90","","106.421","0.001","90","","799.65","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0982","0.0622","","","0.1591","0.1814","","","","","","1.007","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102921","9.3303","0.0002","13.5624","0.0003","6.5879","0.0001","90","","106.411","0.001","90","","799.68","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0958","0.0601","","","0.1547","0.1765","","","","","","1.012","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102922","9.3313","0.0002","13.5636","0.0003","6.5884","0.0002","90","","106.402","0.001","90","","799.93","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As4 S4 -","- As4 S4 -","- As16 S16 -","4","1","","Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski","Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar","Journal of the American Chemical Society","2010","132","","11398","11401","10.1021/ja1030672","","","0.71073","MoKα","","0.0954","0.0605","","","0.1551","0.1759","","","","","","1.017","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102923","64.04","0.06","64.19","0.06","64.25","0.06","90","","90","","90","","264114","4","293","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C83 H115 Br N19 O23 -","- C338 Br2.65 N75.9 O182 -","- C4056 Br31.8 N910.8 O2184 -","12","3","","Omid Khakshoor; Aaron J. Lin; Tyler P. Korman; Michael R. Sawaya; Shiou-Chuan Tsai; David Eisenberg; James S. Nowick","X-ray Crystallographic Structure of an Artificial β-Sheet Dimer","Journal of the American Chemical Society","2010","132","","11622","11628","10.1021/ja103438w","","","0.97853","","","0.1504","","","","","","","","","","","","","","","has coordinates,has disorder","189821","2020-10-21","18:00:00",""
"4102924","8.2451","0.0014","19.209","0.003","8.738","0.0015","90","","103.634","0.002","90","","1344.9","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H38 Cl6 In2 N2 O4 -","- C14 H38 Cl6 In2 N2 O4 -","- C28 H76 Cl12 In4 N4 O8 -","2","0.5","","Agostino Pietrangelo; Spencer C. Knight; Aalo K. Gupta; Letitia J. Yao; Marc A. Hillmyer; William B. Tolman","Mechanistic Study of the Stereoselective Polymerization of d,l-Lactide Using Indium(III) Halides","Journal of the American Chemical Society","2010","132","","11649","11657","10.1021/ja103841h","","","0.71073","MoKα","","0.0604","0.0343","","","0.0655","0.074","","","","","","1.105","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102925","24.8548","0.0003","33.1678","0.0004","40.1311","0.0004","94.99","0.002","94.485","0.002","109.091","0.002","30944.7","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- Fe2 H474 K44 Na10 O640 Se8 W119 -","- Fe2 K28.95 Na5.35 O463.05 Se8 W119 -","- Fe4 K57.9 Na10.7 O926.1 Se16 W238 -","2","1","","Jun Yan; Jing Gao; De-Liang Long; Haralampos N. Miras; Leroy Cronin","Self-Assembly of a Nanosized, Saddle-Shaped, Solution-Stable Polyoxometalate Anion Built from Pentagonal Building Blocks: [H34W119Se8Fe2O420]54-","Journal of the American Chemical Society","2010","132","","11410","11411","10.1021/ja104043s","","","1.54184","CuKα","","0.0915","0.0669","","","0.1775","0.1998","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102926","9.0552","0.0004","12.8869","0.0006","12.0073","0.0005","90","","103.344","0.002","90","","1363.34","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","EMS-VIII-007D","bertozzi01","","- C36 H30 F6 -","- C36 H30 F6 -","- C72 H60 F12 -","2","1","","Ellen M. Sletten; Hitomi Nakamura; John C. Jewett; Carolyn R. Bertozzi","Difluorobenzocyclooctyne: Synthesis, Reactivity, and Stabilization by β-Cyclodextrin","Journal of the American Chemical Society","2010","132","","11799","11805","10.1021/ja105005t","","","1.54178","CuKα","","0.0282","0.0274","","","0.0735","0.0744","","","","","","1.038","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102927","10.961","0.0004","11.2443","0.0004","24.9515","0.0009","90.207","0.002","100.731","0.002","115.162","0.002","2722.88","0.18","100","2","100","2","","","","","","","","3","P -1","-P 1","2","EMS-VIII-007E","bertozzi02","","- C36 H30 F6 -","- C36 H30 F6 -","- C144 H120 F24 -","4","2","","Ellen M. Sletten; Hitomi Nakamura; John C. Jewett; Carolyn R. Bertozzi","Difluorobenzocyclooctyne: Synthesis, Reactivity, and Stabilization by β-Cyclodextrin","Journal of the American Chemical Society","2010","132","","11799","11805","10.1021/ja105005t","","","1.54178","CuKα","","0.0464","0.0428","","","0.107","0.11","","","","","","1.028","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4102928","10.9513","0.0005","14.9709","0.0007","15.4572","0.0007","63.01","0.002","75.207","0.002","80.666","0.002","2180.2","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","EMS-VIII-007B","bertozzi03","","- C51 H52 F8 O8 -","- C51 H52 F8 O8 -","- C102 H104 F16 O16 -","2","1","","Ellen M. Sletten; Hitomi Nakamura; John C. Jewett; Carolyn R. Bertozzi","Difluorobenzocyclooctyne: Synthesis, Reactivity, and Stabilization by β-Cyclodextrin","Journal of the American Chemical Society","2010","132","","11799","11805","10.1021/ja105005t","","","1.54178","CuKα","","0.0358","0.0336","","","0.0839","0.086","","","","","","1.025","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102929","7.5863","0.0004","8.9598","0.0005","14.6268","0.0008","91.07","0.003","96.218","0.002","104.754","0.003","954.66","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","EMS-VIII-007C","bertozzi04","","- C24 H20 F4 O2 -","- C24 H20 F4 O2 -","- C48 H40 F8 O4 -","2","1","","Ellen M. Sletten; Hitomi Nakamura; John C. Jewett; Carolyn R. Bertozzi","Difluorobenzocyclooctyne: Synthesis, Reactivity, and Stabilization by β-Cyclodextrin","Journal of the American Chemical Society","2010","132","","11799","11805","10.1021/ja105005t","","","1.54178","CuKα","","0.0351","0.0322","","","0.0853","0.0883","","","","","","1.036","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102930","5.057","0.004","6.437","0.006","43.83","0.04","90","","90","","90","","1427","2","93.1","","93.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N O3 -","- C15 H18 Br N O3 -","- C60 H72 Br4 N4 O12 -","4","1","","Masato Ito; Chika Kobayashi; Akio Himizu; Takao Ikariya","Highly Enantioselective Hydrogenative Desymmetrization of Bicyclic Imides Leading to Multiply Functionalized Chiral Cyclic Compounds","Journal of the American Chemical Society","2010","132","","11414","11415","10.1021/ja105048c","","","0.7107","MoKα","","","0.0222","","","","0.0767","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102931","6.264","0.005","8.121","0.006","23.197","0.019","90","","98.044","0.014","90","","1168.4","1.6","193.1","","193.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Masato Ito; Chika Kobayashi; Akio Himizu; Takao Ikariya","Highly Enantioselective Hydrogenative Desymmetrization of Bicyclic Imides Leading to Multiply Functionalized Chiral Cyclic Compounds","Journal of the American Chemical Society","2010","132","","11414","11415","10.1021/ja105048c","","","0.7107","MoKα","","","0.0387","","","","0.1412","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102932","11.161","0.005","9.014","0.004","13.808","0.006","90","","96.384","0.006","90","","1380.5","1.1","193.1","","193.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C72 H52 N4 O16 -","4","1","","Masato Ito; Chika Kobayashi; Akio Himizu; Takao Ikariya","Highly Enantioselective Hydrogenative Desymmetrization of Bicyclic Imides Leading to Multiply Functionalized Chiral Cyclic Compounds","Journal of the American Chemical Society","2010","132","","11414","11415","10.1021/ja105048c","","","0.7107","MoKα","","","0.038","","","","0.1121","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102933","6.071","0.003","11.108","0.006","19.141","0.011","90","","99.076","0.009","90","","1274.6","1.2","193.1","","193.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Masato Ito; Chika Kobayashi; Akio Himizu; Takao Ikariya","Highly Enantioselective Hydrogenative Desymmetrization of Bicyclic Imides Leading to Multiply Functionalized Chiral Cyclic Compounds","Journal of the American Chemical Society","2010","132","","11414","11415","10.1021/ja105048c","","","0.7107","MoKα","","","0.0279","","","","0.1358","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102934","6.172","0.005","8.622","0.006","12.85","0.009","90","","101.54","0.009","90","","670","0.9","93.1","","93.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","","Masato Ito; Chika Kobayashi; Akio Himizu; Takao Ikariya","Highly Enantioselective Hydrogenative Desymmetrization of Bicyclic Imides Leading to Multiply Functionalized Chiral Cyclic Compounds","Journal of the American Chemical Society","2010","132","","11414","11415","10.1021/ja105048c","","","0.7107","MoKα","","","0.0443","","","","0.1296","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102935","9.1093","0.0003","10.1239","0.0003","17.6114","0.0005","90","","90","","90","","1624.15","0.09","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 I N O -","- C17 H18 I N O -","- C68 H72 I4 N4 O4 -","4","1","","Achim Bruch; Andrea Ambrosius; Roland Fröhlich; Armido Studer; David B. Guthrie; Hanmo Zhang; Dennis P. Curran","Memory of Axial Chirality in Aryl Radical Phosphanylations","Journal of the American Chemical Society","2010","132","","11452","11454","10.1021/ja105070k","","","0.71073","MoKα","","0.046","0.0326","","","0.0681","0.0743","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102936","9.0213","0.0004","15.8242","0.0006","18.3522","0.0008","76.991","0.002","77.126","0.002","89.725","0.002","2485.62","0.18","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 N O P S -","- C28 H30 N O P S -","- C112 H120 N4 O4 P4 S4 -","4","2","","Achim Bruch; Andrea Ambrosius; Roland Fröhlich; Armido Studer; David B. Guthrie; Hanmo Zhang; Dennis P. Curran","Memory of Axial Chirality in Aryl Radical Phosphanylations","Journal of the American Chemical Society","2010","132","","11452","11454","10.1021/ja105070k","","","1.54178","CuKα","","0.0612","0.0519","","","0.1358","0.1437","","","","","","1.038","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102937","15.0114","0.0019","26.305","0.003","24.52","0.003","90","","90","","90","","9682","2","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C44 H60.5 Br2 Cl4 N4 O2.5 -","- C44 H61 Br2 Cl3.7 N4 O1.7 -","- C352 H488 Br16 Cl29.6 N32 O13.6 -","8","1","","Qing-Feng Wu; Hu He; Wen-Bo Liu; Shu-Li You","Enantioselective Construction of Spiroindolenines by Ir-Catalyzed Allylic Alkylation Reactions","Journal of the American Chemical Society","2010","132","","11418","11419","10.1021/ja105111n","","","0.71073","MoKα","","0.263","0.0758","","","0.1846","0.2279","","","","","","0.659","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102938","9.171","0.004","10.99","0.005","23.442","0.011","90","","90","","90","","2362.7","1.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Br Cl2 N2 O -","- C22 H29 Br Cl2 N2 O -","- C88 H116 Br4 Cl8 N8 O4 -","4","1","","Qing-Feng Wu; Hu He; Wen-Bo Liu; Shu-Li You","Enantioselective Construction of Spiroindolenines by Ir-Catalyzed Allylic Alkylation Reactions","Journal of the American Chemical Society","2010","132","","11418","11419","10.1021/ja105111n","","","0.71073","MoKα","","0.1358","0.0694","","","0.1689","0.1852","","","","","","0.874","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102939","12.713","0.003","14.02","0.003","20.454","0.004","103.03","0.04","94.58","0.03","93.89","0.03","3526.6","1.5","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H109 Mo24 N3 O98 P2 S10 V3 -","- C46 H109 Mo24 N3 O98 P2 S10 V3 -","- C46 H109 Mo24 N3 O98 P2 S10 V3 -","1","0.5","","Alexander M. Khenkin; Gregory Leitus; Ronny Neumann","Electron Transfer-Oxygen Transfer Oxygenation of Sulfides Catalyzed by the H5PV2Mo10O40 Polyoxometalate","Journal of the American Chemical Society","2010","132","","11446","11448","10.1021/ja105183w","","","0.71073","MoKα","","0.0975","0.0776","","","0.1656","0.1793","","","","","","1.139","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102940","12.813","0.007","19.418","0.011","13.857","0.007","90","","94.996","0.002","90","","3435","3","103.15","","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H110 B4 Li2 N4 O4 -","- C68 H110 B4 Li2 N4 O4 -","- C136 H220 B8 Li4 N8 O8 -","2","0.5","","Kyoko Nozaki; Yoshitaka Aramaki; Makoto Yamashita; Shau-Hua Ueng; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Boryltrihydroborate: Synthesis, Structure, and Reactivity as a Reductant in Ionic, Organometallic, and Radical Reactions","Journal of the American Chemical Society","2010","132","","11449","11451","10.1021/ja105277u","","","0.7107","MoKα","","0.0878","0.076","","","0.2006","0.2123","","","","","","1.06","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102941","39.937","0.006","11.3904","0.0015","16.069","0.002","90","","94.863","0.008","90","","7283.4","1.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C141 H240 Ir4 N8 P8 -","- C141 H240 Ir4 N8 P8 -","- C282 H480 Ir8 N16 P16 -","2","0.5","","Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig","N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes","Journal of the American Chemical Society","2010","132","","11458","11460","10.1021/ja1053835","","","0.71073","MoKα","","0.15","0.0569","","","0.0746","0.0933","","","","","","0.922","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102942","10.7017","0.0004","16.239","0.0007","20.6097","0.0009","90","","90","","90","","3581.7","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H55 Ir N2 P2 -","- C37 H55 Ir N2 P2 -","- C148 H220 Ir4 N8 P8 -","4","1","","Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig","N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes","Journal of the American Chemical Society","2010","132","","11458","11460","10.1021/ja1053835","","","0.71073","MoKα","","0.0267","0.0221","","","0.0393","0.0405","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102943","11.8165","0.0003","11.9552","0.0003","14.4984","0.0003","110.418","0.002","112.256","0.002","90.657","0.002","1751.97","0.08","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H67 Ir N2 P2 -","- C31 H67 Ir N2 P2 -","- C62 H134 Ir2 N4 P4 -","2","1","","Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig","N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes","Journal of the American Chemical Society","2010","132","","11458","11460","10.1021/ja1053835","","","0.71073","MoKα","","0.0238","0.0192","","","0.0451","0.0467","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102944","17.5546","0.0006","16.563","0.0007","21.3249","0.0008","90","","90","","90","","6200.4","0.4","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H53 Ir N2 P2 -","- C29 H53 Ir N2 P2 -","- C232 H424 Ir8 N16 P16 -","8","1","","Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig","N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes","Journal of the American Chemical Society","2010","132","","11458","11460","10.1021/ja1053835","","","0.71073","MoKα","","0.1408","0.0484","","","0.0647","0.0847","","","","","","0.926","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102945","20.6955","0.001","20.6955","0.001","14.3009","0.001","90","","90","","90","","6125.1","0.6","193","2","193","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C31 H50 Ir N P2 -","- C31 H50 Ir N P2 -","- C248 H400 Ir8 N8 P16 -","8","1","","Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig","N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes","Journal of the American Chemical Society","2010","132","","11458","11460","10.1021/ja1053835","","","0.71073","MoKα","","0.0238","0.0192","","","0.0411","0.0429","","","","","","1.041","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102946","10.4919","0.0009","10.692","0.0008","15.0748","0.0012","101.466","0.005","98.835","0.005","103.297","0.005","1577.3","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H51 Ir N2 P2 -","- C31 H51 Ir N2 P2 -","- C62 H102 Ir2 N4 P4 -","2","1","","Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig","N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes","Journal of the American Chemical Society","2010","132","","11458","11460","10.1021/ja1053835","","","0.71073","MoKα","","0.0567","0.035","","","0.0651","0.0709","","","","","","1.017","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102947","9.349","0.005","8.209","0.005","17.192","0.01","90","","90","","90","","1319.4","1.3","120","1","120","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B H5 K N -","- B H5 K N -","- B16 H80 K16 N16 -","16","2","","Himashinie V. K. Diyabalanage; Tessui Nakagawa; Roshan P. Shrestha; Troy A. Semelsberger; Benjamin L. Davis; Brian L. Scott; Anthony K. Burrell; William I. F. David; Kate R. Ryan; Martin Owen Jones; Peter P. Edwards","Potassium(I) Amidotrihydroborate: Structure and Hydrogen Release","Journal of the American Chemical Society","2010","132","","11836","11837","10.1021/ja100167z","","","0.71073","MoKα","","0.0764","0.0439","","","0.1405","0.1845","","","","","","0.697","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102948","10.1897","0.0001","11.8946","0.0002","15.8515","0.0003","83.299","0.003","86.941","0.003","80.846","0.003","1882.63","0.05","103.1","","103.1","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H42 Cl10 N4 O18 Ru4 -","- C71 H38 Cl10 N4 O18 Ru4 -","- C71 H38 Cl10 N4 O18 Ru4 -","1","0.5","","Natsuko Motokawa; Satoshi Matsunaga; Shinya Takaishi; Hitoshi Miyasaka; Masahiro Yamashita; Kim R. Dunbar","Reversible Magnetism between an Antiferromagnet and a Ferromagnet Related to Solvation/Desolvation in a Robust Layered [Ru2]2TCNQ Charge-Transfer System","Journal of the American Chemical Society","2010","132","","11943","11951","10.1021/ja102412g","","","0.71075","MoKα","","","0.0467","","","","0.1333","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102949","10.024","0.003","12.034","0.004","15.707","0.005","84.078","0.01","85.712","0.011","79.834","0.009","1851.9","1","103.1","","103.1","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H40 Cl8 N4 O18 Ru4 -","- C70 H36 Cl8 N4 O18 Ru4 -","- C70 H36 Cl8 N4 O18 Ru4 -","1","0.5","","Natsuko Motokawa; Satoshi Matsunaga; Shinya Takaishi; Hitoshi Miyasaka; Masahiro Yamashita; Kim R. Dunbar","Reversible Magnetism between an Antiferromagnet and a Ferromagnet Related to Solvation/Desolvation in a Robust Layered [Ru2]2TCNQ Charge-Transfer System","Journal of the American Chemical Society","2010","132","","11943","11951","10.1021/ja102412g","","","0.71075","MoKα","","","0.0485","","","","0.1417","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102950","10.1872","0.0015","11.8862","0.0017","15.811","0.002","83.433","0.003","86.957","0.003","80.85","0.003","1876.6","0.5","103.1","","103.1","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H42 Cl10 N4 O18 Ru4 -","- C71 H38 Cl10 N4 O18 Ru4 -","- C71 H38 Cl10 N4 O18 Ru4 -","1","0.5","","Natsuko Motokawa; Satoshi Matsunaga; Shinya Takaishi; Hitoshi Miyasaka; Masahiro Yamashita; Kim R. Dunbar","Reversible Magnetism between an Antiferromagnet and a Ferromagnet Related to Solvation/Desolvation in a Robust Layered [Ru2]2TCNQ Charge-Transfer System","Journal of the American Chemical Society","2010","132","","11943","11951","10.1021/ja102412g","","","0.71075","MoKα","","","0.0518","","","","0.1573","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102951","9.151","0.004","20.914","0.01","23.367","0.018","90","","90","","90","","4472","5","93.1","","93.1","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Cl4 O12 Ru2 -","- C44 H48 Cl4 O12 Ru2 -","- C176 H192 Cl16 O48 Ru8 -","4","0.5","","Natsuko Motokawa; Satoshi Matsunaga; Shinya Takaishi; Hitoshi Miyasaka; Masahiro Yamashita; Kim R. Dunbar","Reversible Magnetism between an Antiferromagnet and a Ferromagnet Related to Solvation/Desolvation in a Robust Layered [Ru2]2TCNQ Charge-Transfer System","Journal of the American Chemical Society","2010","132","","11943","11951","10.1021/ja102412g","","","0.7107","MoKα","","","0.04","","","","0.0938","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102952","14.8115","0.0019","15.9646","0.0019","18.929","0.002","90","","106.665","0.0016","90","","4288","0.9","93.1","","93.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 B Cl4 F4 O11 Ru2 -","- C40 H20 B Cl4 F4 O11 Ru2 -","- C160 H80 B4 Cl16 F16 O44 Ru8 -","4","1","","Natsuko Motokawa; Satoshi Matsunaga; Shinya Takaishi; Hitoshi Miyasaka; Masahiro Yamashita; Kim R. Dunbar","Reversible Magnetism between an Antiferromagnet and a Ferromagnet Related to Solvation/Desolvation in a Robust Layered [Ru2]2TCNQ Charge-Transfer System","Journal of the American Chemical Society","2010","132","","11943","11951","10.1021/ja102412g","","","0.7107","MoKα","","","0.0518","","","","0.122","","","","","","1.142","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102953","5.0151","0.0018","16.013","0.006","22.861","0.008","90","","90","","90","","1835.9","1.1","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C84 H100 N4 O8 -","4","1","","Maryll E. Geherty; Robert D. Dura; Scott G. Nelson","Catalytic Asymmetric Claisen Rearrangement of Unactivated Allyl Vinyl Ethers","Journal of the American Chemical Society","2010","132","","11875","11877","10.1021/ja1039314","","","0.71073","MoKα","","0.1151","0.0739","","","0.1629","0.1812","","","","","","1.046","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102954","5.0268","0.0012","15.831","0.004","22.862","0.006","90","","90","","90","","1819.3","0.8","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Br N O -","- C20 H22 Br N O -","- C80 H88 Br4 N4 O4 -","4","1","","Maryll E. Geherty; Robert D. Dura; Scott G. Nelson","Catalytic Asymmetric Claisen Rearrangement of Unactivated Allyl Vinyl Ethers","Journal of the American Chemical Society","2010","132","","11875","11877","10.1021/ja1039314","","","0.71073","MoKα","","0.114","0.0618","","","0.1292","0.1474","","","","","","0.922","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102955","19.358","0.003","12.646","0.002","18.038","0.003","90","","90","","90","","4415.7","1.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H45 Cl Ir P3 -","- C54 H45 Cl Ir P3 -","- C216 H180 Cl4 Ir4 P12 -","4","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3M(X)] (M = Rh, Ir). The Red and Orange Forms of [(Ph3P)3Ir(Cl)]. Which Phosphine Dissociates Faster from Wilkinson's Catalyst?","Journal of the American Chemical Society","2010","132","","12013","12026","10.1021/ja1039693","","","0.71073","MoKα","","0.0898","0.0436","","","0.0673","0.0811","","","","","","0.961","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102956","32.705","0.009","12.187","0.003","10.985","0.003","90","","90","","90","","4378","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H45 Cl Ir P3 -","- C54 H45 Cl Ir P3 -","- C216 H180 Cl4 Ir4 P12 -","4","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3M(X)] (M = Rh, Ir). The Red and Orange Forms of [(Ph3P)3Ir(Cl)]. Which Phosphine Dissociates Faster from Wilkinson's Catalyst?","Journal of the American Chemical Society","2010","132","","12013","12026","10.1021/ja1039693","","","0.71073","MoKα","","0.043","0.0303","","","0.06","0.0635","","","","","","1.01","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102957","32.86","0.005","12.2247","0.0018","10.9774","0.0015","90","","90","","90","","4409.7","1.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H48 O0 P3 Rh -","- C55 H48 P3 Rh -","- C220 H192 P12 Rh4 -","4","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3M(X)] (M = Rh, Ir). The Red and Orange Forms of [(Ph3P)3Ir(Cl)]. Which Phosphine Dissociates Faster from Wilkinson's Catalyst?","Journal of the American Chemical Society","2010","132","","12013","12026","10.1021/ja1039693","","","0.71073","MoKα","","0.1659","0.1166","","","0.2596","0.28","","","","","","1.404","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102958","13.773","0.002","24.303","0.004","24.367","0.004","90","","90","","90","","8156","2","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 B2 Cl3 Co N6 O6 S4 -","- C35 H35 B2 Cl3 Co N6 O6 S4 -","- C280 H280 B16 Cl24 Co8 N48 O48 S32 -","8","2","","Wenjun Liu; Weijie Huang; Maren Pink; Dongwhan Lee","Layer-by-Layer Synthesis of Metal-Containing Conducting Polymers: Caged Metal Centers for Interlayer Charge Transport","Journal of the American Chemical Society","2010","132","","11844","11846","10.1021/ja104038s","","","0.71073","MoKα","","0.1098","0.0649","","","0.152","0.1766","","","","","","1.025","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102959","28.888","0.004","9.1516","0.0013","16.023","0.003","90","","121.953","0.008","90","","3594.2","1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 B2 Fe N6 O6 S4 -","- C34 H34 B2 Fe N6 O6 S4 -","- C136 H136 B8 Fe4 N24 O24 S16 -","4","0.5","","Wenjun Liu; Weijie Huang; Maren Pink; Dongwhan Lee","Layer-by-Layer Synthesis of Metal-Containing Conducting Polymers: Caged Metal Centers for Interlayer Charge Transport","Journal of the American Chemical Society","2010","132","","11844","11846","10.1021/ja104038s","","","0.71073","MoKα","","0.0525","0.0366","","","0.0888","0.0974","","","","","","1.023","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4102960","9.372","0.001","15.564","0.001","48.161","0.004","95.861","0.002","93.037","0.002","95.182","0.002","6946","1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C316.74 H356.19 N20 Ni4 O6.75 -","- C316.74 H356.186 N20 Ni4 O6.752 -","- C316.74 H356.186 N20 Ni4 O6.752 -","1","0.5","","Jianxin Song; Naoki Aratani; Ji Haeng Heo; Dongho Kim; Hiroshi Shinokubo; Atsuhiro Osuka","Directly Pd(II)-Bridged Porphyrin Belts with Remarkable Curvatures","Journal of the American Chemical Society","2010","132","","11868","11869","10.1021/ja1046654","","","0.71069","MoKα","","0.1167","0.0735","","","0.1745","0.1973","","","","","","1.033","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102961","15.633","0.002","19.14","0.002","26.565","0.003","76.928","0.002","89.395","0.002","72.777","0.002","7381.9","1.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C146 H153 Cl2 N10 Ni2 Pd -","- C146 H153 Cl2 N10 Ni2 Pd -","- C292 H306 Cl4 N20 Ni4 Pd2 -","2","1","","Jianxin Song; Naoki Aratani; Ji Haeng Heo; Dongho Kim; Hiroshi Shinokubo; Atsuhiro Osuka","Directly Pd(II)-Bridged Porphyrin Belts with Remarkable Curvatures","Journal of the American Chemical Society","2010","132","","11868","11869","10.1021/ja1046654","","","0.71069","MoKα","","0.0891","0.0744","","","0.2143","0.2279","","","","","","1.095","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102962","17.66","0.004","22.964","0.005","28.213","0.006","81.593","0.004","88.742","0.004","80.885","0.004","11176","4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C198 H205 Cl N16 Ni3 -","- C198 H205 Cl N16 Ni3 -","- C396 H410 Cl2 N32 Ni6 -","2","1","","Jianxin Song; Naoki Aratani; Ji Haeng Heo; Dongho Kim; Hiroshi Shinokubo; Atsuhiro Osuka","Directly Pd(II)-Bridged Porphyrin Belts with Remarkable Curvatures","Journal of the American Chemical Society","2010","132","","11868","11869","10.1021/ja1046654","","","0.71069","MoKα","","0.1325","0.0741","","","0.1859","0.2065","","","","","","0.868","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102963","25.3421","0.0006","14.7875","0.0004","20.3492","0.0005","90","","96.447","0.002","90","","7577.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Sc2O@Cs(6)-C82.Ni[OEP].1.4(toluene).0.6(benzene)","","","- C131.4 H58.8 N4 Ni O Sc2 -","- C129.55 H55.8 N4 Ni O Sc1.75 -","- C518.202 H223.2 N16 Ni4 O4 Sc7 -","4","0.5","","Brandon Q. Mercado; Melissa A. Stuart; Mary A. Mackey; Jane E. Pickens; Bridget S. Confait; Steven Stevenson; Michael L. Easterling; Ramón Valencia; Antonio Rodríguez-Fortea; Josep M. Poblet; Marilyn M. Olmstead; Alan L. Balch","Sc2(μ2-O) Trapped in a Fullerene Cage: The Isolation and Structural Characterization of Sc2(μ2-O)@Cs(6)-C82 and the Relevance of the Thermal and Entropic Effects in Fullerene Isomer Selection","Journal of the American Chemical Society","2010","132","","12098","12105","10.1021/ja104902e","","","0.7749","","","0.0852","0.0748","","","0.2054","0.2147","","","","","","1.017","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102964","12.777","0.003","23.903","0.005","18.151","0.004","90","","106.495","0.004","90","","5315","2","100.1","","100.1","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C92 H42 Si -","- C92 H42 Si -","- C368 H168 Si4 -","4","1","","Junko Nagatsuka; Sachie Sugitani; Masahiro Kako; Tsukasa Nakahodo; Naomi Mizorogi; Midori O. Ishitsuka; Yutaka Maeda; Takahiro Tsuchiya; Takeshi Akasaka; Xingfa Gao; Shigeru Nagase","Photochemical Addition of C60 with Siliranes: Synthesis and Characterization of Carbosilylated and Hydrosilylated C60 Derivatives","Journal of the American Chemical Society","2010","132","","12106","12120","10.1021/ja1049719","","","0.71075","MoKα","","","0.0869","","","","0.2675","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102965","12.7665","0.0005","23.9369","0.001","18.2436","0.0006","90","","106.826","0.001","90","","5336.4","0.4","120.1","","120.1","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C92 H42 Si -","- C92 H42 Si -","- C368 H168 Si4 -","4","1","","Junko Nagatsuka; Sachie Sugitani; Masahiro Kako; Tsukasa Nakahodo; Naomi Mizorogi; Midori O. Ishitsuka; Yutaka Maeda; Takahiro Tsuchiya; Takeshi Akasaka; Xingfa Gao; Shigeru Nagase","Photochemical Addition of C60 with Siliranes: Synthesis and Characterization of Carbosilylated and Hydrosilylated C60 Derivatives","Journal of the American Chemical Society","2010","132","","12106","12120","10.1021/ja1049719","","","0.71075","MoKα","","","0.063","","","","0.1784","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102966","19.694","0.004","13.366","0.002","24.195","0.004","90","","90.091","0.008","90","","6368.8","1.9","100.1","","100.1","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C106 H58 Si -","- C106 H58 Si -","- C424 H232 Si4 -","4","1","","Junko Nagatsuka; Sachie Sugitani; Masahiro Kako; Tsukasa Nakahodo; Naomi Mizorogi; Midori O. Ishitsuka; Yutaka Maeda; Takahiro Tsuchiya; Takeshi Akasaka; Xingfa Gao; Shigeru Nagase","Photochemical Addition of C60 with Siliranes: Synthesis and Characterization of Carbosilylated and Hydrosilylated C60 Derivatives","Journal of the American Chemical Society","2010","132","","12106","12120","10.1021/ja1049719","","","0.71075","MoKα","","","0.0665","","","","0.1833","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102967","14.287","0.002","23.441","0.005","19.533","0.003","90","","104.27","0.005","90","","6339.8","1.9","90.1","","90.1","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C105 H54 Si -","- C105 H54 Si -","- C420 H216 Si4 -","4","1","","Junko Nagatsuka; Sachie Sugitani; Masahiro Kako; Tsukasa Nakahodo; Naomi Mizorogi; Midori O. Ishitsuka; Yutaka Maeda; Takahiro Tsuchiya; Takeshi Akasaka; Xingfa Gao; Shigeru Nagase","Photochemical Addition of C60 with Siliranes: Synthesis and Characterization of Carbosilylated and Hydrosilylated C60 Derivatives","Journal of the American Chemical Society","2010","132","","12106","12120","10.1021/ja1049719","","","0.71075","MoKα","","","0.0778","","","","0.2284","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102968","14.8322","0.0005","15.7438","0.0006","16.037","0.001","100.665","0.001","105.054","0.001","111.784","0.001","3188.4","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H81 N7 O9 -","- C68 H81 N7 O9 -","- C136 H162 N14 O18 -","2","1","","Ho Yong Lee; Xinli Song; Hyunsoo Park; Mu-Hyun Baik; Dongwhan Lee","Torsionally Responsive C3-Symmetric Azo Dyes: Azo-Hydrazone Tautomerism, Conformational Switching, and Application for Chemical Sensing","Journal of the American Chemical Society","2010","132","","12133","12144","10.1021/ja105121z","","x-ray","0.41328","synchrotron","","0.1084","0.0697","","","0.1903","0.2192","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102969","14.5285","0.0009","16.1699","0.001","18.5044","0.0011","94.488","0.001","108.717","0.001","106.896","0.001","3868.3","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C148 H170 B2 F48 Ni2 O3 P4 Si2 -","- C148 H170 B2 F48 Ni2 O3 P4 Si2 -","- C148 H170 B2 F48 Ni2 O3 P4 Si2 -","1","0.5","","Vlad M. Iluc; Gregory L. Hillhouse","Arrested 1,2-Hydrogen Migration from Silicon to Nickel upon Oxidation of a Three-Coordinate Ni(I) Silyl Complex","Journal of the American Chemical Society","2010","132","","11890","11892","10.1021/ja1052329","","","0.71073","MoKα","","0.0969","0.0857","","","0.212","0.2227","","","","","","1.107","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102970","8.6888","0.0008","18.7901","0.0017","22.348","0.002","90","","96.061","0.002","90","","3628.2","0.6","100","2","100","2","","","","","","","synthetic","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H63 Ni P2 Si -","- C36 H63 Ni P2 Si -","- C144 H252 Ni4 P8 Si4 -","4","1","","Vlad M. Iluc; Gregory L. Hillhouse","Arrested 1,2-Hydrogen Migration from Silicon to Nickel upon Oxidation of a Three-Coordinate Ni(I) Silyl Complex","Journal of the American Chemical Society","2010","132","","11890","11892","10.1021/ja1052329","","x-ray","0.71073","MoKα","","0.0935","0.071","","","0.1335","0.1413","","","","","","1.174","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102971","32.4278","0.0012","11.0563","0.0005","14.1912","0.0005","90","","109.461","0.002","90","","4797.3","0.3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-(tert-butyl)phenyl)-5-iodo-3-methyl-1- n-octyl-1H-1,2,3-triazol-3-ium bromide","","- C21 H33 Br I N3 -","- C21 H33 Br I N3 -","- C168 H264 Br8 I8 N24 -","8","1","","Nathan L. Kilah; Matthew D. Wise; Christopher J. Serpell; Amber L. Thompson; Nicholas G. White; Kirsten E. Christensen; Paul D. Beer","Enhancement of Anion Recognition Exhibited by a Halogen-Bonding Rotaxane Host System","Journal of the American Chemical Society","2010","132","","11893","11895","10.1021/ja105263q","","","0.71073","MoKα","","0.0525","0.037","","0.054","0.0425","0.0425","","","","","","1.0289","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102972","14.038","0.0017","10.9503","0.0017","15.929","0.003","90","","101.329","0.011","90","","2400.9","0.7","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4-(4-(tert-butyl)phenyl)-5-iodo-3-methyl-1- n-octyl-1H-1,2,3-triazol-3-ium chloride","","- C21 H33 Cl I N3 -","- C21 H33 Cl I N3 -","- C84 H132 Cl4 I4 N12 -","4","1","","Nathan L. Kilah; Matthew D. Wise; Christopher J. Serpell; Amber L. Thompson; Nicholas G. White; Kirsten E. Christensen; Paul D. Beer","Enhancement of Anion Recognition Exhibited by a Halogen-Bonding Rotaxane Host System","Journal of the American Chemical Society","2010","132","","11893","11895","10.1021/ja105263q","","","0.71073","MoKα","","0.1773","0.1482","","0.2109","0.1734","0.1734","","","","","","1.1198","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102973","11.1796","0.0004","14.7396","0.0005","15.5956","0.0006","81.4488","0.0012","80.4591","0.0012","89.9085","0.0016","2505.47","0.16","150","","150","","","","","","","","","4","P -1","-P 1","2","","4-(4-(tert-butyl)phenyl)-5-iodo-3-methyl-1- n-octyl-1H-1,2,3-triazol-3-ium iodide","","- C21 H33 I2 N3 -","- C21 H33 I2 N3 -","- C84 H132 I8 N12 -","4","2","","Nathan L. Kilah; Matthew D. Wise; Christopher J. Serpell; Amber L. Thompson; Nicholas G. White; Kirsten E. Christensen; Paul D. Beer","Enhancement of Anion Recognition Exhibited by a Halogen-Bonding Rotaxane Host System","Journal of the American Chemical Society","2010","132","","11893","11895","10.1021/ja105263q","","","0.71073","MoKα","","0.1062","0.072","","0.109","0.0805","0.0805","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102974","14.684","0.004","14.875","0.003","30.286","0.01","76.35","0.05","77.67","0.05","62.34","0.04","5652","4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C113 H132 Br I N6 O12 -","- C113 H132 Br I N6 O12 -","- C226 H264 Br2 I2 N12 O24 -","2","1","","Nathan L. Kilah; Matthew D. Wise; Christopher J. Serpell; Amber L. Thompson; Nicholas G. White; Kirsten E. Christensen; Paul D. Beer","Enhancement of Anion Recognition Exhibited by a Halogen-Bonding Rotaxane Host System","Journal of the American Chemical Society","2010","132","","11893","11895","10.1021/ja105263q","","","0.6889","MoKα","","0.213","0.1501","","0.4124","0.3494","0.4124","","","","","","1.0063","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102975","23.0412","0.0005","13.5764","0.0003","17.4038","0.0004","90","","110.892","0.0012","90","","5086.3","0.2","223","","","","","","","","","","LOC ETH Zurich","8","C 1 2/c 1","-C 2yc","15","","","","- C54 H38 Cl6 I Ir N2 O4 P2 -","- C54 H38 Cl6 I Ir N2 O4 P2 -","- C216 H152 Cl24 I4 Ir4 N8 O16 P8 -","4","0.5","","Markus Roggen; Erick M. Carreira","Stereospecific Substitution of Allylic Alcohols To Give Optically Active Primary Allylic Amines: Unique Reactivity of a (P,alkene)Ir Complex Modulated by Iodide","Journal of the American Chemical Society","2010","132","","11917","11919","10.1021/ja105271z","","","0.71073","MoKα","","0.0578","0.0482","","","0.1445","0.1545","","","","","","1.148","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102976","5.25","0.004","17.886","0.01","6.314","0.004","90","","112.536","0.01","90","","547.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H4 N5 O3 -","- C2 H4 N5 O3 -","- C8 H16 N20 O12 -","4","1","","Ruihu Wang; Hongyan Xu; Yong Guo; Rongjian Sa; Jean'ne M. Shreeve","Bis[3-(5-nitroimino-1,2,4-triazolate)]-Based Energetic Salts: Synthesis and Promising Properties of a New Family of High-Density Insensitive Materials","Journal of the American Chemical Society","2010","132","","11904","11905","10.1021/ja1055033","","","0.71073","MoKα","","0.0724","0.0527","","","0.145","0.1781","","","","","","1.109","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102977","19.7429","0.0005","13.5697","0.0004","18.3723","0.0005","90","","96.805","0.002","90","","4887.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H76 Al N7 Ni O -","- C48 H76 Al N7 Ni O -","- C192 H304 Al4 N28 Ni4 O4 -","4","1","","Chung-Chih Tsai; Wei-Chih Shih; Cyong-Hui Fang; Chia-Yi Li; Tiow-Gan Ong; Glenn P. A. Yap","Bimetallic Nickel Aluminun Mediated Para-Selective Alkenylation of Pyridine: Direct Observation of η2,η1-Pyridine Ni(0)-Al(III) Intermediates Prior to C-H Bond Activation","Journal of the American Chemical Society","2010","132","","11887","11889","10.1021/ja1061246","","","0.71073","MoKα","","0.059","0.0389","","","0.0913","0.1018","","","","","","1.011","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102978","14.981","0.003","25.995","0.005","6.9486","0.0014","90","","90","","90","","2706","0.9","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H39 Al2 Cl2 N3 -","- C22 H39 Al2 Cl2 N3 -","- C88 H156 Al8 Cl8 N12 -","4","1","","Chung-Chih Tsai; Wei-Chih Shih; Cyong-Hui Fang; Chia-Yi Li; Tiow-Gan Ong; Glenn P. A. Yap","Bimetallic Nickel Aluminun Mediated Para-Selective Alkenylation of Pyridine: Direct Observation of η2,η1-Pyridine Ni(0)-Al(III) Intermediates Prior to C-H Bond Activation","Journal of the American Chemical Society","2010","132","","11887","11889","10.1021/ja1061246","","","0.71073","MoKα","","0.2269","0.0932","","","0.1643","0.2139","","","","","","1.007","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102979","7.329","0.0017","16.483","0.004","8.629","0.002","90","","102.646","0.003","90","","1017.1","0.4","220","2","220","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H32 Cl2 Mo N2 -","- C18 H32 Cl2 Mo N2 -","- C36 H64 Cl4 Mo2 N4 -","2","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0449","0.0325","","","0.0666","0.0699","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102980","9.3437","0.0002","14.8268","0.0003","14.6366","0.0003","90","","96.2349","0.0003","90","","2015.72","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Cl2 N2 W -","- C18 H32 Cl2 N2 W -","- C72 H128 Cl8 N8 W4 -","4","1","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0139","0.0133","","","0.0293","0.0295","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102981","12.7891","0.0003","10.0138","0.0002","16.7916","0.0004","90","","104.019","0.0003","90","","2086.41","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H70 Mo2 N8 -","- C38 H70 Mo2 N8 -","- C76 H140 Mo4 N16 -","2","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0226","0.0205","","","0.0447","0.0454","","","","","","0.999","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102982","9.6229","0.0018","10.344","0.002","11.664","0.002","105.2","0.0018","99.511","0.0019","114.24","0.0017","971.3","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H64 N6 W2 -","- C36 H64 N6 W2 -","- C36 H64 N6 W2 -","1","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0331","0.0275","","","0.0645","0.0671","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102983","12.993","0.0014","18.5117","0.0019","16.9536","0.0018","90","","107.973","0.002","90","","3878.7","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 N6 Ti2 -","- C36 H64 N6 Ti2 -","- C144 H256 N24 Ti8 -","4","1","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0585","0.038","","","0.0821","0.0898","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102984","9.6215","0.0005","15.9429","0.0008","13.061","0.0006","90","","104.501","0.001","90","","1939.66","0.17","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cmpd4","","","- C36 H66 Mo2 N6 -","- C36 H66 Mo2 N6 -","- C72 H132 Mo4 N12 -","2","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0327","0.0258","","","0.0551","0.058","","","","","","0.999","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102985","9.0568","0.0003","10.9451","0.0004","19.97","0.0007","90","","92.153","0.001","90","","1978.18","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","W-complex","","- C36 H64 Cl2 N6 W2 -","- C36 H64 Cl2 N6 W2 -","- C72 H128 Cl4 N12 W4 -","2","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0182","0.0152","","","0.0366","0.0374","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102986","20.2729","0.0011","16.968","0.001","18.6155","0.0011","90","","112.493","0.0007","90","","5916.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H192 Cl4 N18 W6 -","- C108 H192 Cl4 N18 W6 -","- C216 H384 Cl8 N36 W12 -","2","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0778","0.0428","","","0.0823","0.0899","","","","","","1","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102987","9.4556","0.0007","11.328","0.0008","16.6763","0.0012","77.4608","0.0009","78.9713","0.001","72.9418","0.0009","1651.3","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H50 Mo N4 -","- C36 H50 Mo N4 -","- C72 H100 Mo2 N8 -","2","1","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0406","0.0325","","","0.0627","0.0648","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102988","9.4665","0.0005","11.3904","0.0006","16.7481","0.0009","77.4871","0.0005","79.3452","0.0005","72.7116","0.0005","1669.23","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H50 N4 W -","- C36 H50 N4 W -","- C72 H100 N8 W2 -","2","1","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0214","0.0198","","","0.0466","0.0471","","","","","","1.001","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102989","8.8808","0.0003","16.4776","0.0005","14.277","0.0005","90","","90","","90","","2089.21","0.12","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 Mo N2 O2 -","- C20 H32 Mo N2 O2 -","- C80 H128 Mo4 N8 O8 -","4","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0178","0.0167","","","0.0363","0.0366","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102990","14.0017","0.0009","15.7393","0.001","9.1904","0.0006","90","","90","","90","","2025.4","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 N2 O2 W -","- C20 H32 N2 O2 W -","- C80 H128 N8 O8 W4 -","4","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0133","0.0111","","","0.0248","0.0254","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102991","8.2012","0.0002","10.4016","0.0002","17.8398","0.0004","90","","95.877","0.001","90","","1513.84","0.06","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18.67 H29.33 N5.33 Ni1.33 O4 -","- C18.6667 H29.3333 N5.33333 Ni1.33333 O4 -","- C56 H88 N16 Ni4 O12 -","3","0.75","","Xavi Ribas; Carlos Calle; Albert Poater; Alicia Casitas; Laura Gómez; Raül Xifra; Teodor Parella; Jordi Benet-Buchholz; Arthur Schweiger; George Mitrikas; Miquel Solà; Antoni Llobet; T. Daniel P. Stack","Facile C-H Bond Cleavage via a Proton-Coupled Electron Transfer Involving a C-H...CuII Interaction","Journal of the American Chemical Society","2010","132","","12299","12306","10.1021/ja101599e","","","0.71073","MoKα","","0.036","0.033","","","0.0887","0.0909","","","","","","1.048","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102992","18.595","0.002","22.072","0.002","15.8951","0.0017","90","","106.429","0.002","90","","6257.4","1.1","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","1","","","- C78 H84 Au N O4 P2 -","- C78 H84 Au N O4 P2 -","- C312 H336 Au4 N4 O16 P8 -","4","1","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.0467","0.0354","","","0.0738","0.0837","","","","","","1.043","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102993","17.8938","0.0009","15.1515","0.0008","15.3494","0.0008","90","","103.356","0.001","90","","4048.9","0.4","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2","","","- C50 H48 Au N O2 P2 -","- C50 H48 Au N O2 P2 -","- C200 H192 Au4 N4 O8 P8 -","4","0.5","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.0372","0.029","","","0.0625","0.0655","","","","","","1.03","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102994","17.9902","0.0017","16.2836","0.0016","15.1191","0.0015","90","","103.233","0.002","90","","4311.5","0.7","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3","","","- C52 H52 Au N O2 P2 -","- C52 H52 Au N O2 P2 -","- C208 H208 Au4 N4 O8 P8 -","4","0.5","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.0975","0.0487","","","0.0843","0.0993","","","","","","0.986","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102995","17.815","0.002","17.815","0.002","55.126","0.007","90","","90","","90","","17496","4","100","0.1","100","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","4","","","- C168 H216 Au4 Cu4 O16 -","- C168 H216 Au4 Cu4 O16 -","- C672 H864 Au16 Cu16 O64 -","4","0.5","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.1235","0.0758","","","0.1809","0.2011","","","","","","0.98","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102996","17.1668","0.0012","16.0171","0.0011","26.2354","0.0018","90","","103.724","0.001","90","","7007.8","0.8","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","6a","","","- C78 H84 Au3 Cu2 N O6 P2 -","- C78 H84 Au3 Cu2 N O6 P2 -","- C312 H336 Au12 Cu8 N4 O24 P8 -","4","1","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.089","0.0444","","","0.0829","0.0977","","","","","","0.99","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102997","18.0506","0.0013","20.7398","0.0015","22.5954","0.0016","90","","90","","90","","8458.9","1.1","100","0.1","100","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","6b","","","- C82 H92 Au3 Cl8 Cu2 N O6 P2 -","- C82 H92 Au3 Cl8 Cu2 N O6 P2 -","- C328 H368 Au12 Cl32 Cu8 N4 O24 P8 -","4","1","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.093","0.0496","","","0.1084","0.126","","","","","","1.026","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102998","11.7932","0.001","26.194","0.002","13.0147","0.0011","90","","97.469","0.002","90","","3986.3","0.6","100","0.1","100","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","7a","","","- C88 H106 Au3 Cu2 N O7 P2 -","- C88 H106 Au3 Cu2 N O7 P2 -","- C176 H212 Au6 Cu4 N2 O14 P4 -","2","0.5","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.1106","0.0544","","","0.1026","0.1219","","","","","","1.028","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102999","22.7061","0.0017","14.5944","0.0011","26.198","0.002","90","","91.06","0.002","90","","8680.1","1.1","100","0.1","100","0.1","","","","","","","","8","C 1 c 1","C -2yc","9","7b","","","- C90.39 H111.35 Au3 Cl2.53 Cu2 N O7.28 P2 -","- C90.391 H111.346 Au3 Cl2.526 Cu2 N O7.282 P2 -","- C361.564 H445.384 Au12 Cl10.104 Cu8 N4 O29.128 P8 -","4","1","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.0656","0.048","","","0.0968","0.1034","","","","","","0.995","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4103000","18.3693","0.0013","18.5923","0.0013","23.6603","0.0017","90","","94.312","0.001","90","","8057.8","1","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","7c","","","- C84 H96 Au3 Cu2 N O6 P2 -","- C84 H96 Au3 Cu2 N O6 P2 -","- C336 H384 Au12 Cu8 N4 O24 P8 -","4","1","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.0922","0.0514","","","0.1084","0.1198","","","","","","0.983","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103001","7.488","0.005","5.266","0.002","9.131","0.006","90","","112.604","0.008","90","","332.4","0.3","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 N8 -","- C4 H4 N8 -","- C8 H8 N16 -","2","0.5","","Yu-Chuan Li; Cai Qi; Sheng-Hua Li; Hui-Juan Zhang; Cheng-Hui Sun; Yong-Zhong Yu; Si-Ping Pang","1,1'-Azobis-1,2,3-triazole: A High-Nitrogen Compound with Stable N8Structure and Photochromism","Journal of the American Chemical Society","2010","132","","12172","12173","10.1021/ja103525v","","","0.71073","MoKα","","0.0365","0.0304","","","0.0814","0.0847","","","","","","1.006","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103002","6.0927","0.0002","7.3057","0.0003","21.0808","0.0008","80.027","0.002","86.454","0.002","67.354","0.002","852.89","0.06","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C20 H34 O -","- C20 H34 O -","- C40 H68 O2 -","2","2","","Yajing Lian; Laura C. Miller; Stephen Born; Richmond Sarpong; Huw M. L. Davies","Catalyst-Controlled Formal [4 + 3] Cycloaddition Applied to the Total Synthesis of (+)-Barekoxide and (-)-Barekol","Journal of the American Chemical Society","2010","132","","12422","12425","10.1021/ja103916t","","","1.54178","CuKα","","0.039","0.0389","","","0.1081","0.1082","","","","","","1.04","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103003","10.4699","0.001","14.4005","0.0014","14.6794","0.0015","90","","105.735","0.002","90","","2130.3","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonmg11","","","- C19 H35 N Ni P2 S -","- C19 H35 N Ni P2 S -","- C76 H140 N4 Ni4 P8 S4 -","4","1","","Matthew R. Grochowski; Ting Li; William W. Brennessel; William D. Jones","Competitive Carbon-Sulfur vs Carbon-Carbon Bond Activation of 2-Cyanothiophene with [Ni(dippe)H]2","Journal of the American Chemical Society","2010","132","","12412","12421","10.1021/ja104158h","","","0.71073","MoKα","","0.083","0.0508","","","0.1264","0.1413","","","","","","1.051","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103004","10.4435","0.0014","15.405","0.002","14.9862","0.0019","90","","110.245","0.002","90","","2262.1","0.5","100","0.1","100","0.1","","","","","","","","6","P 1 c 1","P -2yc","7","jonmg19","","","- C20 H34 N2 Ni P2 S -","- C20 H34 N2 Ni P2 S -","- C80 H136 N8 Ni4 P8 S4 -","4","2","","Matthew R. Grochowski; Ting Li; William W. Brennessel; William D. Jones","Competitive Carbon-Sulfur vs Carbon-Carbon Bond Activation of 2-Cyanothiophene with [Ni(dippe)H]2","Journal of the American Chemical Society","2010","132","","12412","12421","10.1021/ja104158h","","","0.71073","MoKα","","0.1083","0.0639","","","0.119","0.1374","","","","","","0.977","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103005","15.893","0.003","13.864","0.002","19.718","0.003","90","","90","","90","","4344.7","1.2","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","jonmg15","","","- C19 H35 N Ni P2 S -","- C19 H35 N Ni P2 S -","- C152 H280 N8 Ni8 P16 S8 -","8","1","","Matthew R. Grochowski; Ting Li; William W. Brennessel; William D. Jones","Competitive Carbon-Sulfur vs Carbon-Carbon Bond Activation of 2-Cyanothiophene with [Ni(dippe)H]2","Journal of the American Chemical Society","2010","132","","12412","12421","10.1021/ja104158h","","","0.71073","MoKα","","0.1014","0.0483","","","0.0875","0.1056","","","","","","1.015","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103006","8.3149","0.0004","15.7589","0.0008","17.7572","0.0009","81.337","0.001","88.804","0.001","78.284","0.001","2252.21","0.19","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","jonmg17","","","- C20.5 H36.5 N Ni P2 S -","- C20.5 H36.5 N Ni P2 S -","- C82 H146 N4 Ni4 P8 S4 -","4","2","","Matthew R. Grochowski; Ting Li; William W. Brennessel; William D. Jones","Competitive Carbon-Sulfur vs Carbon-Carbon Bond Activation of 2-Cyanothiophene with [Ni(dippe)H]2","Journal of the American Chemical Society","2010","132","","12412","12421","10.1021/ja104158h","","","0.71073","MoKα","","0.0965","0.0517","","","0.0933","0.1117","","","","","","0.989","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103007","6.709","0.002","11.712","0.004","23.352","0.007","90","","90","","90","","1834.9","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 S -","- C20 H26 O4 S -","- C80 H104 O16 S4 -","4","1","","Jimmie D. Weaver; Being J. Ka; David K. Morris; Ward Thompson; Jon A. Tunge","Stereospecific Decarboxylative Allylation of Sulfones","Journal of the American Chemical Society","2010","132","","12179","12181","10.1021/ja104196x","","","0.71073","MoKα","","0.0599","0.0496","","","0.0879","0.0913","","","","","","0.987","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103008","9.11919","0.00008","9.11919","0.00008","9.11919","0.00008","90","","90","","90","","758.348","0.012","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Bi3 Mn3 O10.5 -","- Bi2.9998 Mn3 O10.5 -","- Bi11.9992 Mn12 O42 -","4","0.166667","","Alexei A. Belik; Eiji Takayama-Muromachi","Effects of Oxygen Content on Bi3Mn3O11+δ: From 45 K Antiferromagnetism to Room-Temperature True Ferromagnetism","Journal of the American Chemical Society","2010","132","","12426","12432","10.1021/ja1043598","powder diffraction","","0.41916","CuK\α~1~","","","","","","","","","","3.03","","","","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103009","9.11151","0.00006","9.11151","0.00006","9.11151","0.00006","90","","90","","90","","756.434","0.009","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Bi3 Mn3 O11.6 -","- Bi2.9998 Mn3 O11 -","- Bi11.9992 Mn12 O44 -","4","0.166667","","Alexei A. Belik; Eiji Takayama-Muromachi","Effects of Oxygen Content on Bi3Mn3O11+δ: From 45 K Antiferromagnetism to Room-Temperature True Ferromagnetism","Journal of the American Chemical Society","2010","132","","12426","12432","10.1021/ja1043598","powder diffraction","","0.41916","CuK\α~1~","","","","","","","","","","2.42","","","","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103010","32.562","0.008","10.769","0.003","10.969","0.003","90","","102.276","0.005","90","","3758.4","1.7","240","2","240","","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H25 N3 O3 Si -","- C14 H25 N3 O3 Si -","- C112 H200 N24 O24 Si8 -","8","1","","Michel Prévost; Olivier St-Jean; Yvan Guindon","Synthesis of 1',2'-cis-Nucleoside Analogues: Evidence of Stereoelectronic Control for SN2 Reactions at the Anomeric Center of Furanosides","Journal of the American Chemical Society","2010","132","","12433","12439","10.1021/ja104429y","","","0.71073","MoKα","","0.1383","0.086","","","0.2967","0.3362","","","","","","1.127","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103011","13.9007","0.0005","13.6243","0.0005","20.236","0.0008","90","","104.66","0.0004","90","","3707.7","0.2","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H56 Fe K N9 O6 -","- C27 H56 Fe K N9 O6 -","- C108 H224 Fe4 K4 N36 O24 -","4","1","","David C. Lacy; Rupal Gupta; Kari L. Stone; John Greaves; Joseph W. Ziller; Michael P. Hendrich; A. S. Borovik","Formation, Structure, and EPR Detection of a High Spin FeIV-Oxo Species Derived from Either an FeIII-Oxo or FeIII-OH Complex","Journal of the American Chemical Society","2010","132","","12188","12190","10.1021/ja1047818","","","0.71073","MoKα","","0.0289","0.025","","","0.0658","0.0681","","","","","","1.016","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103012","13.3724","0.0003","13.3724","0.0003","13.3724","0.0003","90","","90","","90","","2391.27","0.09","298","2","298","2","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Cs18 O6 Tl8 -","- Cs18 O6 Tl8 -","- Cs36 O12 Tl16 -","2","0.0833333","","Ulrich Wedig; Vyacheslav Saltykov; Jürgen Nuss; Martin Jansen","Homoatomic Stella Quadrangula [Tl8]6- in Cs18Tl8O6, Interplay of Spin-Orbit Coupling, and Jahn-Teller Distortion","Journal of the American Chemical Society","2010","132","","12458","12463","10.1021/ja1051022","","x-ray","0.71073","MoKα","","0.0299","0.0248","","","0.0519","0.0536","","","","","","1.098","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103013","31.782","0.005","31.782","0.005","12.388","0.003","90","","90","","120","","10837","4","90","2","90","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C39.72 H36 N24 O19.44 -","- C39.72 H36 N24 O19.44 -","- C357.48 H324 N216 O174.96 -","9","0.5","","Hyunuk Kim; Yonghwi Kim; Minyoung Yoon; Soyoung Lim; Se Min Park; Gon Seo; Kimoon Kim","Highly Selective Carbon Dioxide Sorption in an Organic Molecular Porous Material","Journal of the American Chemical Society","2010","132","","12200","12202","10.1021/ja105211w","","","0.75","synchrotron","","0.0957","0.0821","","","0.2335","0.2466","","","","","","1.094","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103014","9.752","0.002","11.925","0.003","12.577","0.003","102.896","0.002","107.463","0.004","95.645","0.002","1338.3","0.5","113","2","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N O4 -","- C36 H25 N O4 -","- C72 H50 N2 O8 -","2","1","","Koya Prabhakara Rao; Tetsuro Kusamoto; Fumiyuki Toshimitsu; Kiyotaka Inayoshi; Shoko Kume; Ryota Sakamoto; Hiroshi Nishihara","Double Protonation of 1,5-Bis(triarylaminoethynyl)anthraquinone To Form a Paramagnetic Pentacyclic Dipyrylium Salt","Journal of the American Chemical Society","2010","132","","12472","12479","10.1021/ja105250f","","","0.71073","MoKα","","","0.0475","","","","0.1386","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103015","15.703","0.008","10.301","0.004","15.738","0.008","90","","119.718","0.006","90","","2210.9","1.8","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H42 N2 O6 -","- C58 H42 N2 O6 -","- C116 H84 N4 O12 -","2","0.5","","Koya Prabhakara Rao; Tetsuro Kusamoto; Fumiyuki Toshimitsu; Kiyotaka Inayoshi; Shoko Kume; Ryota Sakamoto; Hiroshi Nishihara","Double Protonation of 1,5-Bis(triarylaminoethynyl)anthraquinone To Form a Paramagnetic Pentacyclic Dipyrylium Salt","Journal of the American Chemical Society","2010","132","","12472","12479","10.1021/ja105250f","","","0.71073","MoKα","","0.1363","0.0823","","","0.1698","0.2045","","","","","","1.101","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103016","19.183","0.004","12.104","0.002","21.435","0.004","90","","111.302","0.002","90","","4637","1.5","113.15","","113.115","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H46 Cl2 N2 O6 -","- C59 H46 Cl2 N2 O6 -","- C236 H184 Cl8 N8 O24 -","4","1","","Koya Prabhakara Rao; Tetsuro Kusamoto; Fumiyuki Toshimitsu; Kiyotaka Inayoshi; Shoko Kume; Ryota Sakamoto; Hiroshi Nishihara","Double Protonation of 1,5-Bis(triarylaminoethynyl)anthraquinone To Form a Paramagnetic Pentacyclic Dipyrylium Salt","Journal of the American Chemical Society","2010","132","","12472","12479","10.1021/ja105250f","","","0.71073","MoKα","","0.1117","0.0912","","","0.2544","0.2767","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103017","13.6756","0.0006","18.0856","0.0004","16.844","0.0006","90","","93.29","0.002","90","","4159.2","0.3","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H98 Ca2 I2 O12 -","- C74 H98 Ca2 I2 O12 -","- C148 H196 Ca4 I4 O24 -","2","0.5","","Sven Krieck; Helmar Görls; Matthias Westerhausen","Mechanistic Elucidation of the Formation of the Inverse Ca(I) Sandwich Complex [(thf)~3~Ca(μ-C~6~H~3~-1,3,5-Ph~3~)Ca(thf)~3~]and Stability of Aryl-Substituted Phenylcalcium Complexes","Journal of the American Chemical Society","2010","132","","12492","12501","10.1021/ja105534w","","","0.71073","MoKα","","0.1182","0.0611","","","0.166","0.1957","","","","","","1.025","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103018","24.6771","0.0005","14.9476","0.0004","22.7395","0.0005","90","","92.546","0.001","90","","8379.5","0.3","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H113 Ca2 O10.5 -","- C88 H113 Ca2 O10.5 -","- C352 H452 Ca8 O42 -","4","1","","Sven Krieck; Helmar Görls; Matthias Westerhausen","Mechanistic Elucidation of the Formation of the Inverse Ca(I) Sandwich Complex [(thf)~3~Ca(μ-C~6~H~3~-1,3,5-Ph~3~)Ca(thf)~3~]and Stability of Aryl-Substituted Phenylcalcium Complexes","Journal of the American Chemical Society","2010","132","","12492","12501","10.1021/ja105534w","","","0.71073","MoKα","","0.1591","0.0847","","","0.2304","0.2772","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103019","16.2058","0.0003","8.3923","0.0002","20.4013","0.0007","90","","90","","90","","2774.66","0.13","133","2","133","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H38 Ca N6 -","- C26 H38 Ca N6 -","- C104 H152 Ca4 N24 -","4","1","","Sven Krieck; Helmar Görls; Matthias Westerhausen","Mechanistic Elucidation of the Formation of the Inverse Ca(I) Sandwich Complex [(thf)~3~Ca(μ-C~6~H~3~-1,3,5-Ph~3~)Ca(thf)~3~]and Stability of Aryl-Substituted Phenylcalcium Complexes","Journal of the American Chemical Society","2010","132","","12492","12501","10.1021/ja105534w","","","0.71073","MoKα","","0.0675","0.0491","","","0.1253","0.1346","","","","","","1.043","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103020","10.3305","0.0002","39.9525","0.0009","8.7003","0.0003","90","","121.825","0.002","90","","3051.03","0.15","183","2","183","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H41 Ca I O3 -","- C32 H41 Ca I O3 -","- C128 H164 Ca4 I4 O12 -","4","1","","Sven Krieck; Helmar Görls; Matthias Westerhausen","Mechanistic Elucidation of the Formation of the Inverse Ca(I) Sandwich Complex [(thf)~3~Ca(μ-C~6~H~3~-1,3,5-Ph~3~)Ca(thf)~3~]and Stability of Aryl-Substituted Phenylcalcium Complexes","Journal of the American Chemical Society","2010","132","","12492","12501","10.1021/ja105534w","","","0.71073","MoKα","","0.0527","0.0354","","","0.071","0.0771","","","","","","0.994","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103021","8.50004","0.00012","15.59226","0.00017","11.79506","0.00017","90","","107.735","0.0015","90","","1488.97","0.04","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H32 Cl3 Fe N3 O3 S -","- C28 H32 Cl3 Fe N3 O3 S -","- C56 H64 Cl6 Fe2 N6 O6 S2 -","2","1","","Yunbo Jiang; Leland R. Widger; Gary D. Kasper; Maxime A. Siegler; David P. Goldberg","Iron(II)-Thiolate S-Oxygenation by O2: Synthetic Models of Cysteine Dioxygenase","Journal of the American Chemical Society","2010","132","","12214","12215","10.1021/ja105591q","","","0.71073","MoKα","","0.0419","0.0399","","","0.1134","0.1148","","","","","","1.12","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103022","18.8432","0.0004","19.1963","0.0003","8.27657","0.00018","90","","101.465","0.002","90","","2934.06","0.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 F3 Fe N3 O3 S2 -","- C28 H30 F3 Fe N3 O3 S2 -","- C112 H120 F12 Fe4 N12 O12 S8 -","4","1","","Yunbo Jiang; Leland R. Widger; Gary D. Kasper; Maxime A. Siegler; David P. Goldberg","Iron(II)-Thiolate S-Oxygenation by O2: Synthetic Models of Cysteine Dioxygenase","Journal of the American Chemical Society","2010","132","","12214","12215","10.1021/ja105591q","","","0.71073","MoKα","","0.061","0.0413","","","0.0936","0.0996","","","","","","1.052","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103023","8.19913","0.00015","18.9654","0.0003","29.7683","0.0004","84.8769","0.0012","82.5395","0.0014","79.5386","0.0014","4503.22","0.13","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C85 H93 F9 N10 O11 S6 Zn3 -","- C85 H93 F9 N10 O11 S6 Zn3 -","- C170 H186 F18 N20 O22 S12 Zn6 -","2","1","","Yunbo Jiang; Leland R. Widger; Gary D. Kasper; Maxime A. Siegler; David P. Goldberg","Iron(II)-Thiolate S-Oxygenation by O2: Synthetic Models of Cysteine Dioxygenase","Journal of the American Chemical Society","2010","132","","12214","12215","10.1021/ja105591q","","","0.71073","MoKα","","0.0646","0.04","","","0.0895","0.0947","","","","","","0.958","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103024","15.8965","0.0005","18.4656","0.0007","19.6998","0.0007","103.979","0.003","104.433","0.003","111.394","0.003","4846.8","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C139.2 H252.8 Cu24 N8 O24 Si16 -","- C139.2 H252.8 Cu24 N8 O24 Si16 -","- C139.2 H252.8 Cu24 N8 O24 Si16 -","1","0.5","","Gengwen Tan; Ying Yang; Chenhui Chu; Hongping Zhu; Herbert W. Roesky","Cu24O24Si8R8: Organic Soluble 56-Membered Copper(I) Siloxane Cage and Its Use in Homogeneous Catalysis","Journal of the American Chemical Society","2010","132","","12231","12233","10.1021/ja1056104","","","0.71073","MoKα","","0.0929","0.0399","","","0.0619","0.0672","","","","","","0.727","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103025","34.7585","0.0006","17.8536","0.0004","25.6731","0.0005","90","","129.476","0.001","90","","12297.6","0.5","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C101 H34 Cl O S2 -","- C101.5 H34 Cl2 O S -","- C812 H272 Cl16 O8 S8 -","8","1","","Zuo Xiao; Yutaka Matsuo; Eiichi Nakamura","Copper-Catalyzed Formal [4 + 2] Annulation between Alkyne and Fullerene Bromide","Journal of the American Chemical Society","2010","132","","12234","12236","10.1021/ja1056399","","x-ray","1.5418","CuKα","","0.1087","0.0799","","","0.2424","0.2643","","","","","","1.08","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103026","34.6322","0.0006","17.6805","0.0003","25.6132","0.0005","90","","129.525","0.001","90","","12097.3","0.4","123","2","123","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","C60Ph4CHCC6H4BrC6H3","","- C99.5 H29 Br S3 -","- C99.5 H29 Br S3 -","- C796 H232 Br8 S24 -","8","1","","Zuo Xiao; Yutaka Matsuo; Eiichi Nakamura","Copper-Catalyzed Formal [4 + 2] Annulation between Alkyne and Fullerene Bromide","Journal of the American Chemical Society","2010","132","","12234","12236","10.1021/ja1056399","","x-ray","1.54187","CuKα","","0.0904","0.0839","","","0.2623","0.269","","","","","","1.083","","","","has coordinates","269108","2021-09-13","08:22:43",""
"4103027","14.134","","17.167","","27.418","","90","","105.99","","90","","6395.27","","153","2","153","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C104 H34 Cl6 -","- C103.5 H33.5 Cl6 -","- C414 H134 Cl24 -","4","1","","Zuo Xiao; Yutaka Matsuo; Eiichi Nakamura","Copper-Catalyzed Formal [4 + 2] Annulation between Alkyne and Fullerene Bromide","Journal of the American Chemical Society","2010","132","","12234","12236","10.1021/ja1056399","","x-ray","1.54187","CuKα","","0.2169","0.128","","","0.3543","0.3937","","","","","","1.068","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103028","15.478","0.003","14.753","0.003","16.184","0.003","90","","95.025","0.004","90","","3681.4","1.2","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H57 Cl9 N4 O5 P2 -","- C84 H57 Cl9 N4 O5 P2 -","- C168 H114 Cl18 N8 O10 P4 -","2","1","","Daisuke Uraguchi; Natsuko Kinoshita; Takashi Ooi","Catalytic Asymmetric Protonation of α-Amino Acid-Derived Ketene Disilyl Acetals Using P-Spiro Diaminodioxaphosphonium Barfates as Chiral Proton","Journal of the American Chemical Society","2010","132","","12240","12242","10.1021/ja105945z","","","0.71073","MoKα","","0.073","0.0618","","","0.1501","0.1591","","","","","","1.052","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103029","27.528","0.005","12.447","0.002","13.383","0.002","90","","90","","90","","4585.6","1.3","153","2","153","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C58 H45 N2 O4 P -","- C58 H45 N2 O4 P -","- C232 H180 N8 O16 P4 -","4","1","","Daisuke Uraguchi; Natsuko Kinoshita; Takashi Ooi","Catalytic Asymmetric Protonation of α-Amino Acid-Derived Ketene Disilyl Acetals Using P-Spiro Diaminodioxaphosphonium Barfates as Chiral Proton","Journal of the American Chemical Society","2010","132","","12240","12242","10.1021/ja105945z","","","0.71073","MoKα","","0.1117","0.0835","","","0.1446","0.1557","","","","","","1.113","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103030","10.5548","0.0016","6.4174","0.001","15.7227","0.0019","90","","98.09","0.011","90","","1054.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C52 H46 N2 O6 -","2","1","","Manuel Weber; Sascha Jautze; Wolfgang Frey; René Peters","Bispalladacycle-Catalyzed Brønsted Acid/Base-Promoted Asymmetric Tandem Azlactone Formation-Michael Addition","Journal of the American Chemical Society","2010","132","","12222","12225","10.1021/ja106088v","","","0.71073","MoKα","","0.0798","0.0522","","","0.1033","0.1139","","","","","","1.051","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103031","9.4054","0.0013","10.0178","0.0018","13.724","0.002","90","","93.009","0.012","90","","1291.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 N2 O5 -","- C27 H34 N2 O5 -","- C54 H68 N4 O10 -","2","1","","Manuel Weber; Sascha Jautze; Wolfgang Frey; René Peters","Bispalladacycle-Catalyzed Brønsted Acid/Base-Promoted Asymmetric Tandem Azlactone Formation-Michael Addition","Journal of the American Chemical Society","2010","132","","12222","12225","10.1021/ja106088v","","","0.71073","MoKα","","0.1144","0.0633","","","0.1065","0.1209","","","","","","1.046","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103032","26.6125","0.0009","12.1901","0.0004","21.7234","0.0007","90","","105.191","0.002","90","","6801","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ru2(D(3,5-Cl2)PhF)3N(C13H6N2Cl4)(Hexane)","","","- C58 H42 Cl16 N9 Ru2 -","- C58 H42 Cl16 N9 Ru2 -","- C232 H168 Cl64 N36 Ru8 -","4","0.5","","Amanda Kae Musch Long; Renyuan Pony Yu; George H. Timmer; John F. Berry","Aryl C-H Bond Amination by an Electrophilic Diruthenium Nitride","Journal of the American Chemical Society","2010","132","","12228","12230","10.1021/ja1062955","","","0.71073","MoKα","","0.0515","0.0455","","","0.1277","0.1331","","","","","","1.079","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103033","18.753","0.0018","8.7476","0.0008","24.797","0.003","90","","108.605","0.005","90","","3855.2","0.7","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","mp_apso","mp_apso","","- C24 H24 N4 O -","- C24 H24 N4 O -","- C192 H192 N32 O8 -","8","1","","Dinesh G. Patel; Michelle M. Paquette; Roni A. Kopelman; Werner Kaminsky; Michael J. Ferguson; Natia L. Frank","A Solution- and Solid-State Investigation of Medium Effects on Charge Separation in Metastable Photomerocyanines","Journal of the American Chemical Society","2010","132","","12568","12586","10.1021/ja100238h","","","0.71073","MoKα","","0.0702","0.0469","","","0.1174","0.1352","","","","","","1.005","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103034","11.0123","0.0006","11.1746","0.0006","14.6641","0.0008","72.493","0.003","89.767","0.003","83.308","0.003","1708.31","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","IIQSO_triclinic","IIQSO_triclinic","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","2","","Dinesh G. Patel; Michelle M. Paquette; Roni A. Kopelman; Werner Kaminsky; Michael J. Ferguson; Natia L. Frank","A Solution- and Solid-State Investigation of Medium Effects on Charge Separation in Metastable Photomerocyanines","Journal of the American Chemical Society","2010","132","","12568","12586","10.1021/ja100238h","","","0.71073","MoKα","","0.0597","0.0507","","","0.1273","0.1362","","","","","","1.081","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103035","14.5008","0.0005","8.9511","0.0003","14.8771","0.0006","90","","107.092","0.002","90","","1845.73","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","IPSO","IPSO","","- C24 H20 N4 O -","- C24 H20 N4 O -","- C96 H80 N16 O4 -","4","1","","Dinesh G. Patel; Michelle M. Paquette; Roni A. Kopelman; Werner Kaminsky; Michael J. Ferguson; Natia L. Frank","A Solution- and Solid-State Investigation of Medium Effects on Charge Separation in Metastable Photomerocyanines","Journal of the American Chemical Society","2010","132","","12568","12586","10.1021/ja100238h","","","0.71073","MoKα","","0.0608","0.045","","","0.1236","0.1368","","","","","","1.022","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103036","6.6536","0.0012","16.165","0.003","20.809","0.004","90","","93.277","0.002","90","","2234.5","0.7","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N4 O4 -","- C24 H30 N4 O4 -","- C96 H120 N16 O16 -","4","1","","Dinesh G. Patel; Michelle M. Paquette; Roni A. Kopelman; Werner Kaminsky; Michael J. Ferguson; Natia L. Frank","A Solution- and Solid-State Investigation of Medium Effects on Charge Separation in Metastable Photomerocyanines","Journal of the American Chemical Society","2010","132","","12568","12586","10.1021/ja100238h","","","0.71073","MoKα","","0.1056","0.0906","","","0.2458","0.2565","","","","","","1.149","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103037","18.7213","0.0009","28.552","0.0013","15.053","0.0007","90","","110.596","0.0011","90","","7532","0.6","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H114 N4 O4 Sn -","- C84 H114 N4 O4 Sn -","- C336 H456 N16 O16 Sn4 -","4","0.5","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.042","0.0374","","","0.0927","0.0951","","","","","","1.096","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103038","17.2189","0.0016","26.742","0.002","18.455","0.0013","90","","117.39","0.006","90","","7545.3","1.1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H114 N4 O5 Zn -","- C82 H109 N4 O5 Zn -","- C328 H436 N16 O20 Zn4 -","4","1","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.1542","0.0885","","","0.2168","0.2582","","","","","","1.038","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103039","17.5658","0.0004","27.0237","0.0007","18.013","0.0004","90","","117.338","0.0007","90","","7595.6","0.3","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C79 H98 Cl6 Cu N4 -","- C79 H98 Cl6 Cu N4 -","- C316 H392 Cl24 Cu4 N16 -","4","1","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.102","0.0713","","","0.1704","0.1857","","","","","","1.06","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103040","17.56","0.02","27.034","0.014","18.17","0.03","90","","117.05","0.17","90","","7682","2","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C79 H98 Cl6 N4 Pd -","- C79 H98 Cl6 N4 Pd -","- C316 H392 Cl24 N16 Pd4 -","4","1","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.0868","0.056","","","0.1611","0.1703","","","","","","1.03","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103041","19.1765","0.0009","19.4319","0.0009","41.7319","0.0019","90","","90","","90","","15550.8","1.2","173","","173","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C76 H106 Cu F6 N4 O7 Sb -","- C76 H92 Cu F6 N4 O7 Sb -","- C608 H736 Cu8 F48 N32 O56 Sb8 -","8","0.5","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.0647","0.0627","","","0.179","0.1811","","","","","","1.096","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103042","14.2691","0.001","14.3504","0.001","20.8703","0.0014","99.7682","0.0019","97.5856","0.0019","108.675","0.0018","3909.6","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C78.5 H97 Cl6.5 N4 Zn2 -","- C78.5 H97 Cl6.5 N4 Zn2 -","- C157 H194 Cl13 N8 Zn4 -","2","1","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.1712","0.0845","","","0.2012","0.2569","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103043","10.2451","0.0004","18.7518","0.0007","29.8201","0.0013","90","","91.639","0.003","90","","5726.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C1-#23863-C78(C6H5CH2OO)Cl7","","","- C85 H7 Cl7 O2 -","- C85 H7 Cl7 O2 -","- C340 H28 Cl28 O8 -","4","1","","Yuan-Zhi Tan; Jia Li; Ting Zhou; Yu-Qi Feng; Shui-Chao Lin; Xin Lu; Zhuang-Ping Zhan; Su-Yuan Xie; Rong-Bin Huang; Lan-Sun Zheng","Pentagon-Fused Hollow Fullerene in C78 Family Retrieved by Chlorination","Journal of the American Chemical Society","2010","132","","12648","12652","10.1021/ja102887t","","","0.71073","MoKα","","0.1275","0.0624","","","0.1132","0.1278","","","","","","0.926","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103044","9.952","0.002","15.876","0.003","15.877","0.003","77.41","0.03","83.69","0.03","88.42","0.03","2433.4","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H26 Cl3 N3 O3 -","- C80 H26 Cl3 N3 O3 -","- C160 H52 Cl6 N6 O6 -","2","1","","Cheng-Che Chu; Guillaume Raffy; Debdas Ray; André Del Guerzo; Brice Kauffmann; Guillaume Wantz; Lionel Hirsch; Dario M. Bassani","Self-Assembly of Supramolecular Fullerene Ribbons via Hydrogen-Bonding Interactions and Their Impact on Fullerene Electronic Interactions and Charge Carrier Mobility","Journal of the American Chemical Society","2010","132","","12717","12723","10.1021/ja104750f","","","0.855","synchrotronradiation","","0.125","0.1122","","","0.3345","0.349","","","","","","1.657","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103045","23.8726","0.0016","5.0504","0.0003","21.1244","0.0014","90","","107.107","0.002","90","","2434.2","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C112 H128 O24 -","8","1","","Tse-Min Teng; Arindam Das; Deepak B. Huple; Rai-Shung Liu","Gold-Catalyzed Stereoselective Synthesis of 9-Oxabicyclo[3.3.1]nona-4,7-dienes from Diverse 1-Oxo-4-oxy-5-ynes: A Viable Formal [4 + 2] Cycloaddition on an s-trans-Heterodiene Framework","Journal of the American Chemical Society","2010","132","","12565","12567","10.1021/ja106493h","","","0.71073","MoKα","","0.0851","0.0445","","","0.1189","0.153","","","","","","1.043","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103046","39.583","0.007","39.583","0.007","9.3091","0.0015","90","","90","","90","","14586","4","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C40 H44 O8 -","- C40 H44 O8 -","- C640 H704 O128 -","16","1","","Tse-Min Teng; Arindam Das; Deepak B. Huple; Rai-Shung Liu","Gold-Catalyzed Stereoselective Synthesis of 9-Oxabicyclo[3.3.1]nona-4,7-dienes from Diverse 1-Oxo-4-oxy-5-ynes: A Viable Formal [4 + 2] Cycloaddition on an s-trans-Heterodiene Framework","Journal of the American Chemical Society","2010","132","","12565","12567","10.1021/ja106493h","","","0.71073","MoKα","","0.1624","0.0745","","","0.1663","0.1991","","","","","","0.929","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103047","14.5979","0.001","13.6986","0.0011","21.6725","0.0016","90","","103.25","0.006","90","","4218.5","0.6","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H20 N8 O14 Ru Zn -","- C40 H20 N8 O14 Ru Zn -","- C160 H80 N32 O56 Ru4 Zn4 -","4","1","","Caleb A. Kent; Brian P. Mehl; Liqing Ma; John M. Papanikolas; Thomas J. Meyer; Wenbin Lin","Energy Transfer Dynamics in Metal-Organic Frameworks","Journal of the American Chemical Society","2010","132","","12767","12769","10.1021/ja102804s","","","1.54178","CuKα","","0.1074","0.0802","","","0.2164","0.2401","","","","","","1.083","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103048","14.5979","0.001","13.6986","0.0011","21.6725","0.0016","90","","103.25","0.006","90","","4218.5","0.6","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 N6 O8 Ru Zn -","- C34 H20 N6 O8 Ru Zn -","- C136 H80 N24 O32 Ru4 Zn4 -","4","1","","Caleb A. Kent; Brian P. Mehl; Liqing Ma; John M. Papanikolas; Thomas J. Meyer; Wenbin Lin","Energy Transfer Dynamics in Metal-Organic Frameworks","Journal of the American Chemical Society","2010","132","","12767","12769","10.1021/ja102804s","","","1.54178","CuKα","","0.0813","0.0624","","","0.1558","0.1634","","","","","","1.085","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103049","13.2807","0.0004","13.2807","0.0004","52.5695","0.0017","90","","90","","120","","8029.8","0.4","123","2","123","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C57.5 H62 N2 O2 Zn2 -","- C57.5 H62 N2 O2 Zn2 -","- C345 H372 N12 O12 Zn12 -","6","1","","Sefer Ay; R. E. Ziegert; H. Zhang; Martin Nieger; Kari Rissanen; K. Fink; A. Kubas; Ruth M. Gschwind; Stefan Bräse","NMR-Spectroscopic and Solid-State Investigations of Cometal-Free Asymmetric Conjugate Addition: A Dinuclear Paracyclophaneimine Zinc Methyl Complex","Journal of the American Chemical Society","2010","132","","12899","12905","10.1021/ja1032502","","","0.71073","MoKα","","0.0534","0.046","","","0.1149","0.12","","","","","","1.092","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103050","14.362","0.0017","17.989","0.003","15.7391","0.0017","90","","94.13","0.009","90","","4055.8","0.9","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H19 B Cu F20 N3 O -","- C44 H19 B Cu F20 N3 O -","- C176 H76 B4 Cu4 F80 N12 O4 -","4","1","","Heather R. Lucas; Gerald J. Meyer; Kenneth D. Karlin","CO and O2 Binding to Pseudo-tetradentate Ligand-Copper(I) Complexes with a Variable N-Donor Moiety: Kinetic/Thermodynamic Investigation Reveals Ligand-Induced Changes in Reaction Mechanism","Journal of the American Chemical Society","2010","132","","12927","12940","10.1021/ja104107q","","","0.71073","MoKα","","0.0496","0.0309","","","0.0764","0.0797","","","","","","1.064","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103051","20.1276","0.0002","20.3135","0.0002","20.7405","0.0002","90","","90","","90","","8480","0.14","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H20 B Cu F20 N4 -","- C46 H20 B Cu F20 N4 -","- C368 H160 B8 Cu8 F160 N32 -","8","1","","Heather R. Lucas; Gerald J. Meyer; Kenneth D. Karlin","CO and O2 Binding to Pseudo-tetradentate Ligand-Copper(I) Complexes with a Variable N-Donor Moiety: Kinetic/Thermodynamic Investigation Reveals Ligand-Induced Changes in Reaction Mechanism","Journal of the American Chemical Society","2010","132","","12927","12940","10.1021/ja104107q","","","0.71073","MoKα","","0.066","0.04","","","0.0859","0.106","","","","","","1.135","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103052","16.5778","0.0008","16.6516","0.0005","17.8893","0.0007","90","","100.426","0.004","90","","4856.8","0.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H30 B Cu F20 N4 O -","- C53 H30 B Cu F20 N4 O -","- C212 H120 B4 Cu4 F80 N16 O4 -","4","1","","Heather R. Lucas; Gerald J. Meyer; Kenneth D. Karlin","CO and O2 Binding to Pseudo-tetradentate Ligand-Copper(I) Complexes with a Variable N-Donor Moiety: Kinetic/Thermodynamic Investigation Reveals Ligand-Induced Changes in Reaction Mechanism","Journal of the American Chemical Society","2010","132","","12927","12940","10.1021/ja104107q","","","0.71073","MoKα","","0.1079","0.0544","","","0.1119","0.1384","","","","","","1.033","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103053","17.87","0.05","19.62","0.05","23.8","0.07","102.46","0.04","104.83","0.04","96.28","0.04","7756","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tb4Mn4","","","- C135 H155 Mn4 N9 O43 Tb4 -","- C135 H137 Mn4 N9 O43 Tb4 -","- C270 H274 Mn8 N18 O86 Tb8 -","2","1","","Georgios Karotsis; Stuart Kennedy; Simon J. Teat; Christine M. Beavers; Drew A. Fowler; Juan J. Morales; Marco Evangelisti; Scott J. Dalgarno; Euan K. Brechin","[MnIII4LnIII4] Calix[4]arene Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2010","132","","12983","12990","10.1021/ja104848m","","","0.71073","MoKα","","0.0822","0.0507","","","0.129","0.1413","","","","","","0.977","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103054","17.805","0.002","19.781","0.002","23.563","0.003","102.752","0.002","104.586","0.002","96.203","0.002","7714.7","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","GK2748","","","- C130 H140 Dy4 Mn4 N8 O40 -","- C130 H122 Dy4 Mn4 N8 O40 -","- C260 H244 Dy8 Mn8 N16 O80 -","2","1","","Georgios Karotsis; Stuart Kennedy; Simon J. Teat; Christine M. Beavers; Drew A. Fowler; Juan J. Morales; Marco Evangelisti; Scott J. Dalgarno; Euan K. Brechin","[MnIII4LnIII4] Calix[4]arene Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2010","132","","12983","12990","10.1021/ja104848m","","","0.7749","synchrotron","","0.0776","0.0511","","","0.1219","0.1313","","","","","","0.921","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103055","12.5554","0.0016","19.869","0.003","19.126","0.002","90","","96.678","0.002","90","","4738.9","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di(Lithium tetrahydrofuran) Iron(II) tetrakis(bistert-butyl ketimide)","","- C44 H88 Fe Li2 N4 O2 -","- C44 H88 Fe Li2 N4 O2 -","- C176 H352 Fe4 Li8 N16 O8 -","4","1","","Richard A. Lewis; Guang Wu; Trevor W. Hayton","Synthesis and Characterization of an Iron(IV) Ketimide Complex","Journal of the American Chemical Society","2010","132","","12814","12816","10.1021/ja104934n","","","0.71073","MoKα","","0.1309","0.072","","","0.1488","0.1828","","","","","","1.063","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103056","10.7816","0.0017","11.8835","0.0019","18.739","0.003","87.016","0.003","81.074","0.003","69.225","0.003","2217.6","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Lithium dimethoxyethane Iron(III) tetrakis(bistert-butyl ketimide)","","- C40 H82 Fe Li N4 O2 -","- C40 H82 Fe Li N4 O2 -","- C80 H164 Fe2 Li2 N8 O4 -","2","1","","Richard A. Lewis; Guang Wu; Trevor W. Hayton","Synthesis and Characterization of an Iron(IV) Ketimide Complex","Journal of the American Chemical Society","2010","132","","12814","12816","10.1021/ja104934n","","","0.71073","MoKα","","0.0737","0.0465","","","0.101","0.1161","","","","","","1.055","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103057","22.138","0.004","8.5192","0.0016","22.613","0.004","90","","111.493","0.003","90","","3968.2","1.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Iron(IV) tetrakis(bistert-butyl ketimide)","","- C36 H72 Fe N4 -","- C36 H54 Fe N4 -","- C144 H216 Fe4 N16 -","4","0.5","","Richard A. Lewis; Guang Wu; Trevor W. Hayton","Synthesis and Characterization of an Iron(IV) Ketimide Complex","Journal of the American Chemical Society","2010","132","","12814","12816","10.1021/ja104934n","","","0.71073","MoKα","","0.0962","0.0716","","","0.1824","0.1989","","","","","","1.078","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103058","8.7176","0.0018","10.561","0.002","17.692","0.004","90","","104.079","0.003","90","","1579.9","0.6","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 N2 -","- C44 H32 N2 -","- C88 H64 N4 -","2","0.5","","Timothy D. Lash; Sarah A. Jones; Gregory M. Ferrence","Synthesis and Characterization of Tetraphenyl-21,23-dideazaporphyrin: The Best Evidence Yet That Porphyrins Really Are the [18]Annulenes of Nature","Journal of the American Chemical Society","2010","132","","12786","12787","10.1021/ja105146a","","x-ray","0.71073","MoKα","","0.1041","0.0556","","","0.1093","0.1298","","","","","","1.013","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103059","3.8159","0.0001","3.8159","0.0001","6.246","0.0003","90","","90","","90","","90.949","0.006","249","2","249","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","Iron telluride","Iron telluride","","- Fe1.13 S0.05 Te0.95 -","- Fe1.123 S0.052 Te0.948 -","- Fe2.246 S0.104 Te1.896 -","2","0.125","","Pawel Zajdel; Ping-Yen Hsieh; Efrain E. Rodriguez; Nicholas P. Butch; Jeff D. Magill; Johnpierre Paglione; Peter Zavalij; Matthew R. Suchomel; Mark A. Green","Phase Separation and Suppression of the Structural and Magnetic Transitions in Superconducting Doped Iron Tellurides, Fe1+xTe1-ySy","Journal of the American Chemical Society","2010","132","","13000","13007","10.1021/ja105279p","","","0.71073","MoKα","","0.0194","0.0193","","","0.0422","0.0423","","","","","","1","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103060","10.2808","0.0002","11.0503","0.0002","17.9965","0.0004","84.552","0.001","89.25","0.001","67.981","0.001","1886.26","0.07","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H58 N3 P Si -","- C39 H58 N3 P Si -","- C78 H116 N6 P2 Si2 -","2","1","","David Gau; Ricardo Rodriguez; Tsuyoshi Kato; Nathalie Saffon-Merceron; Antoine Baceiredo","Diastereoselective Synthesis of Bulky, Strongly Nucleophilic, and Configurationally Stable P-Stereogenic Tricyclic Phosphines","Journal of the American Chemical Society","2010","132","","12841","12843","10.1021/ja1054912","","","0.71073","MoKα","","0.0626","0.0459","","","0.1134","0.1236","","","","","","1.041","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103061","11.759","0.0003","12.459","0.0002","18.486","0.0003","72.49","0.001","85.614","0.001","62.576","0.001","2286.38","0.08","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H66 N3 O P Si -","- C51 H66 N3 O P Si -","- C102 H132 N6 O2 P2 Si2 -","2","1","","David Gau; Ricardo Rodriguez; Tsuyoshi Kato; Nathalie Saffon-Merceron; Antoine Baceiredo","Diastereoselective Synthesis of Bulky, Strongly Nucleophilic, and Configurationally Stable P-Stereogenic Tricyclic Phosphines","Journal of the American Chemical Society","2010","132","","12841","12843","10.1021/ja1054912","","","0.71073","MoKα","","0.0726","0.0541","","","0.1403","0.154","","","","","","1.05","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103062","11.2805","0.0008","10.0135","0.0007","33.283","0.002","90","","93.313","0.002","90","","3753.3","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H54 N3 P Si -","- C41 H54 N3 P Si -","- C164 H216 N12 P4 Si4 -","4","1","","David Gau; Ricardo Rodriguez; Tsuyoshi Kato; Nathalie Saffon-Merceron; Antoine Baceiredo","Diastereoselective Synthesis of Bulky, Strongly Nucleophilic, and Configurationally Stable P-Stereogenic Tricyclic Phosphines","Journal of the American Chemical Society","2010","132","","12841","12843","10.1021/ja1054912","","","0.71073","MoKα","","0.114","0.0556","","","0.1114","0.1328","","","","","","1.008","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103063","10.2915","0.0002","14.4688","0.0002","17.2543","0.0003","108.789","0.001","100.115","0.001","92.699","0.001","2379.69","0.07","193","2","193","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C48 H72 Cl3 N3 P Rh Si -","- C48 H72 Cl3 N3 P Rh Si -","- C96 H144 Cl6 N6 P2 Rh2 Si2 -","2","1","","David Gau; Ricardo Rodriguez; Tsuyoshi Kato; Nathalie Saffon-Merceron; Antoine Baceiredo","Diastereoselective Synthesis of Bulky, Strongly Nucleophilic, and Configurationally Stable P-Stereogenic Tricyclic Phosphines","Journal of the American Chemical Society","2010","132","","12841","12843","10.1021/ja1054912","","x-ray","0.71073","MoKα","","0.0752","0.0451","","","0.0945","0.1067","","","","","","0.973","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103064","6.0604","0.0012","10.0127","0.0019","24.814","0.005","90","","90","","90","","1505.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 F5 N O2 -","- C15 H12 F5 N O2 -","- C60 H48 F20 N4 O8 -","4","1","","Shifa Zhu; Xue Xu; Jason A. Perman; X. Peter Zhang","A General and Efficient Cobalt(II)-Based Catalytic System for Highly Stereoselective Cyclopropanation of Alkenes with α-Cyanodiazoacetates","Journal of the American Chemical Society","2010","132","","12796","12799","10.1021/ja1056246","","","1.54178","CuKα","","0.053","0.051","","","0.1296","0.1364","","","","","","1.085","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103065","8.5842","0.0002","8.5197","0.0002","8.4723","0.0002","90","","90","","90","","619.62","0.03","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C14 H19 N O2 -","- C14 H20 N O2 -","- C28 H40 N2 O4 -","2","0.5","","Shifa Zhu; Xue Xu; Jason A. Perman; X. Peter Zhang","A General and Efficient Cobalt(II)-Based Catalytic System for Highly Stereoselective Cyclopropanation of Alkenes with α-Cyanodiazoacetates","Journal of the American Chemical Society","2010","132","","12796","12799","10.1021/ja1056246","","","1.54178","CuKα","","0.0376","0.0375","","","0.0911","0.0915","","","","","","1.145","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103066","6.1618","0.0007","12.7291","0.0014","15.3398","0.0017","90","","90","","90","","1203.2","0.2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-hydroxy-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindol-1-one","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Satoshi Takebayashi; Jeremy M. John; Steven H. Bergens","Desymmetrization of meso-Cyclic Imides via Enantioselective Monohydrogenation","Journal of the American Chemical Society","2010","132","","12832","12834","10.1021/ja105783u","","","0.71073","MoKα","","0.0411","0.0358","","","0.083","0.0866","","","","","","1.062","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103067","6.1944","0.0004","12.7213","0.0008","15.5031","0.0009","90","","90","","90","","1221.66","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 F N O2 -","- C15 H14 F N O2 -","- C60 H56 F4 N4 O8 -","4","1","","Satoshi Takebayashi; Jeremy M. John; Steven H. Bergens","Desymmetrization of meso-Cyclic Imides via Enantioselective Monohydrogenation","Journal of the American Chemical Society","2010","132","","12832","12834","10.1021/ja105783u","","","0.71073","MoKα","","0.0304","0.0295","","","0.0799","0.081","","","","","","1.071","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103068","8.7288","0.0003","11.5872","0.0004","17.581","0.0006","90","","103.441","0.0004","90","","1729.48","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O -","- C24 H21 N O -","- C96 H84 N4 O4 -","4","2","","Satoshi Takebayashi; Jeremy M. John; Steven H. Bergens","Desymmetrization of meso-Cyclic Imides via Enantioselective Monohydrogenation","Journal of the American Chemical Society","2010","132","","12832","12834","10.1021/ja105783u","","","0.71073","MoKα","","0.0328","0.0302","","","0.0783","0.0841","","","","","","1.052","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103069","13.8572","0.0002","7.249","0.0001","15.4928","0.0003","90","","104.936","0.001","90","","1503.69","0.04","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","RajanBabu1733","","","- C24 H46 B N3 O2 Si Sn -","- C24 H46 B N3 O2 Si Sn -","- C48 H92 B2 N6 O4 Si2 Sn2 -","2","1","","Ramakrishna Reddy Singidi; Amanda M. Kutney; Judith C. Gallucci; T. V. RajanBabu","Stereoselective Cyclization of Functionalized 1,n-Diynes Mediated by [X-Y] Reagents [X-Y = R3Si-SnR'3 or (R2N)2B-SnR'3]: Synthesis and Properties of Atropisomeric 1,3-Dienes","Journal of the American Chemical Society","2010","132","","13078","13087","10.1021/ja105939v","","x-ray","0.71073","MoKα","","0.041","0.0286","","","0.0556","0.0591","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103070","11.561","0.004","11.7","0.004","6.524","0.002","90","","90","","90","","882.5","0.5","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- B5 I O9 Pb2 -","- B5 I O9 Pb2 -","- B20 I4 O36 Pb8 -","4","1","","Yi-Zhi Huang; Li-Ming Wu; Xin-Tao Wu; Long-Hua Li; Ling Chen; Yong-Fan Zhang","Pb2B5O9I: An Iodide Borate with Strong Second Harmonic Generation","Journal of the American Chemical Society","2010","132","","12788","12789","10.1021/ja106066k","","","0.71073","MoKα","","0.0475","0.0454","","","0.1185","0.1212","","","","","","1.14","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103071","12.199","0.004","12.756","0.004","20.89","0.007","90.313","0.004","96.724","0.004","94.821","0.004","3216.5","1.8","95","2","95","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H81 Au2 Cl9 F2 N4 -","- C56 H78 Au2 F2 N4 -","- C112 H156 Au4 F4 N8 -","2","1","","Neal P. Mankad; F. Dean Toste","C-C Coupling Reactivity of an Alkylgold(III) Fluoride Complex with Arylboronic Acids","Journal of the American Chemical Society","2010","132","","12859","12861","10.1021/ja106257n","","","0.71073","MoKα","","0.0788","0.0442","","","0.0948","0.1071","","","","","","0.775","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103072","11.884","0.002","12.592","0.003","12.596","0.003","81.025","0.003","86.999","0.003","66.552","0.002","1708","0.6","128","2","128","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H43 Au Cl6 F2 N2 -","- C28 H41 Au F N2 -","- C56 H82 Au2 F2 N4 -","2","1","","Neal P. Mankad; F. Dean Toste","C-C Coupling Reactivity of an Alkylgold(III) Fluoride Complex with Arylboronic Acids","Journal of the American Chemical Society","2010","132","","12859","12861","10.1021/ja106257n","","","0.71073","MoKα","","0.0271","0.0241","","","0.0744","0.0795","","","","","","0.41","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103073","8.27048","0.00015","11.4124","0.0002","14.4475","0.0003","69.8042","0.001","84.6144","0.0011","88.0854","0.0011","1274.15","0.04","123.1","","123.1","","","","","","","","","5","P 1","P 1","1","","","","- C28 H35 N O2 Si -","- C28 H35 N O2 Si -","- C56 H70 N2 O4 Si2 -","2","2","","Takahiro Nishimura; Hiroki Makino; Makoto Nagaosa; Tamio Hayashi","Rhodium-Catalyzed Enantioselective 1,6-Addition of Arylboronic Acids to Enynamides: Asymmetric Synthesis of Axially Chiral Allenylsilanes","Journal of the American Chemical Society","2010","132","","12865","12867","10.1021/ja1066509","","","1.54187","CuKα","","","0.0576","","","","0.2049","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103074","11.81","0.002","14.161","0.003","28.699","0.005","90","","90","","90","","4799.7","1.5","123","2","123","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56.33 H52.65 Cl0.65 F4 N O Rh Si -","- C56.325 H52.65 Cl0.65 F4 N O Rh Si -","- C225.3 H210.6 Cl2.6 F16 N4 O4 Rh4 Si4 -","4","1","","Takahiro Nishimura; Hiroki Makino; Makoto Nagaosa; Tamio Hayashi","Rhodium-Catalyzed Enantioselective 1,6-Addition of Arylboronic Acids to Enynamides: Asymmetric Synthesis of Axially Chiral Allenylsilanes","Journal of the American Chemical Society","2010","132","","12865","12867","10.1021/ja1066509","","","0.71075","MoKα","","0.0463","0.0407","","","0.0895","0.0927","","","","","","1.011","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103075","15.341","0.002","12.998","0.002","23.922","0.004","90","","94.07","0.02","90","","4758.1","1.3","301","2","301","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cl6 Fe2 N4 -","- C16 H20 Cl6 Fe2 N4 -","- C128 H160 Cl48 Fe16 N32 -","8","1","","Toby Wai-Shan Chow; Ella Lai-Ming Wong; Zhen Guo; Yungen Liu; Jie-Sheng Huang; Chi-Ming Che","cis-Dihydroxylation of Alkenes with Oxone Catalyzed by Iron Complexes of a Macrocyclic Tetraaza Ligand and Reaction Mechanism by ESI-MS Spectrometry and DFT Calculations","Journal of the American Chemical Society","2010","132","","13229","13239","10.1021/ja100967g","","","0.71073","MoKα","","0.0379","0.0338","","","0.086","0.0892","","","","","","1.045","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103076","13.806","0.003","9.909","0.002","16.903","0.004","90","","90","","90","","2312.4","0.9","301","2","301","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H23 Cl3 Fe N5 O4 -","- C18 H24 Cl3 Fe N5 O4 -","- C72 H96 Cl12 Fe4 N20 O16 -","4","0.5","","Toby Wai-Shan Chow; Ella Lai-Ming Wong; Zhen Guo; Yungen Liu; Jie-Sheng Huang; Chi-Ming Che","cis-Dihydroxylation of Alkenes with Oxone Catalyzed by Iron Complexes of a Macrocyclic Tetraaza Ligand and Reaction Mechanism by ESI-MS Spectrometry and DFT Calculations","Journal of the American Chemical Society","2010","132","","13229","13239","10.1021/ja100967g","","","0.71073","MoKα","","0.0379","0.0295","","","0.0797","0.0866","","","","","","1.031","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103077","10.332","0.001","15.908","0.001","24.346","0.001","90","","101.907","0.001","90","","3915.4","0.5","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Cl N2 P2 S2 Sc -","- C42 H38 Cl N2 P2 S2 Sc -","- C168 H152 Cl4 N8 P8 S8 Sc4 -","4","1","","Marie Fustier; Xavier F. Le Goff; Pascal Le Floch; Nicolas Mézailles","Nucleophilic Scandium Carbene Complexes","Journal of the American Chemical Society","2010","132","","13108","13110","10.1021/ja103220s","","","0.71069","MoKα","","0.096","0.049","","","0.1108","0.1264","","","","","","1.036","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103078","11.473","0.001","11.567","0.001","17.119","0.001","75.186","0.001","75.057","0.001","79.232","0.001","2104.2","0.3","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C70 H80 Cl4 O7 P4 S4 Sc4 -","- C66 H72 Cl4 O6 P4 S4 Sc4 -","- C66 H72 Cl4 O6 P4 S4 Sc4 -","1","0.5","","Marie Fustier; Xavier F. Le Goff; Pascal Le Floch; Nicolas Mézailles","Nucleophilic Scandium Carbene Complexes","Journal of the American Chemical Society","2010","132","","13108","13110","10.1021/ja103220s","","","0.71069","MoKα","","0.0714","0.0494","","","0.1473","0.1572","","","","","","0.989","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103079","18.17","0.004","9.5255","0.0019","20.973","0.004","90","","107.4","0.03","90","","3463.9","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 Fe Ni P2 -","- C34 H62 Fe Ni P2 -","- C136 H248 Fe4 Ni4 P8 -","4","1","","Inmaculada Matas; George R. Whittell; Benjamin M. Partridge; Jason P. Holland; Mairi F. Haddow; Jennifer C. Green; Ian Manners","Synthesis, Electronic Structure, and Reactivity of Strained Nickel-, Palladium-, and Platinum-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2010","132","","13279","13289","10.1021/ja103367e","","","0.71073","MoKα","","0.1244","0.0827","","","0.1459","0.1693","","","","","","1.143","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103080","18.29","0.004","9.6288","0.0019","20.917","0.004","90","","107.63","0.03","90","","3510.7","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 Fe P2 Pd -","- C34 H62 Fe P2 Pd -","- C136 H248 Fe4 P8 Pd4 -","4","1","","Inmaculada Matas; George R. Whittell; Benjamin M. Partridge; Jason P. Holland; Mairi F. Haddow; Jennifer C. Green; Ian Manners","Synthesis, Electronic Structure, and Reactivity of Strained Nickel-, Palladium-, and Platinum-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2010","132","","13279","13289","10.1021/ja103367e","","","0.71073","MoKα","","0.0859","0.0599","","","0.1182","0.1328","","","","","","1.144","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103081","18.301","0.004","9.6527","0.0019","20.902","0.004","90","","107.77","0.03","90","","3516.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 Fe P2 Pt -","- C34 H62 Fe P2 Pt -","- C136 H248 Fe4 P8 Pt4 -","4","1","","Inmaculada Matas; George R. Whittell; Benjamin M. Partridge; Jason P. Holland; Mairi F. Haddow; Jennifer C. Green; Ian Manners","Synthesis, Electronic Structure, and Reactivity of Strained Nickel-, Palladium-, and Platinum-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2010","132","","13279","13289","10.1021/ja103367e","","","0.71073","MoKα","","0.0488","0.0382","","","0.0716","0.0772","","","","","","1.08","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103082","10.3014","0.0011","18.0421","0.0019","19.625","0.002","90","","90.787","0.007","90","","3647.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H62 Fe O P2 Pd -","- C35 H62 Fe O P2 Pd -","- C140 H248 Fe4 O4 P8 Pd4 -","4","1","","Inmaculada Matas; George R. Whittell; Benjamin M. Partridge; Jason P. Holland; Mairi F. Haddow; Jennifer C. Green; Ian Manners","Synthesis, Electronic Structure, and Reactivity of Strained Nickel-, Palladium-, and Platinum-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2010","132","","13279","13289","10.1021/ja103367e","","","0.71073","MoKα","","0.1303","0.0473","","","0.0799","0.102","","","","","","0.962","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103083","13.0565","0.001","17.1744","0.0013","15.4708","0.0013","90","","90.521","0.005","90","","3469","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 Ni P2 -","- C34 H62 Ni P2 -","- C136 H248 Ni4 P8 -","4","1","","Inmaculada Matas; George R. Whittell; Benjamin M. Partridge; Jason P. Holland; Mairi F. Haddow; Jennifer C. Green; Ian Manners","Synthesis, Electronic Structure, and Reactivity of Strained Nickel-, Palladium-, and Platinum-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2010","132","","13279","13289","10.1021/ja103367e","","","1.54178","CuKα","","0.0491","0.037","","","0.1022","0.1248","","","","","","0.514","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103084","9.9919","0.001","17.1547","0.0017","20.575","0.002","90","","90.144","0.006","90","","3526.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H62 P2 Pd -","- C34 H62 P2 Pd -","- C136 H248 P8 Pd4 -","4","1","","Inmaculada Matas; George R. Whittell; Benjamin M. Partridge; Jason P. Holland; Mairi F. Haddow; Jennifer C. Green; Ian Manners","Synthesis, Electronic Structure, and Reactivity of Strained Nickel-, Palladium-, and Platinum-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2010","132","","13279","13289","10.1021/ja103367e","","","0.71073","MoKα","","0.0444","0.0297","","","0.0671","0.0734","","","","","","1.007","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103085","11.0266","0.0009","16.0425","0.0013","20.8119","0.0017","85.394","0.004","83.297","0.004","75.518","0.004","3535.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H62 P2 Pt -","- C34 H62 P2 Pt -","- C136 H248 P8 Pt4 -","4","2","","Inmaculada Matas; George R. Whittell; Benjamin M. Partridge; Jason P. Holland; Mairi F. Haddow; Jennifer C. Green; Ian Manners","Synthesis, Electronic Structure, and Reactivity of Strained Nickel-, Palladium-, and Platinum-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2010","132","","13279","13289","10.1021/ja103367e","","","0.71073","MoKα","","0.0382","0.0266","","","0.0516","0.055","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103086","15.242","0.002","6.8033","0.0012","15.381","0.002","90","","114.544","0.003","90","","1450.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N4 -","- C19 H14 N4 -","- C76 H56 N16 -","4","1","","Youjun Yang; Stephanie K. Seidlits; Michelle M. Adams; Vincent M. Lynch; Christine E. Schmidt; Eric V. Anslyn; Jason B. Shear","A Highly Selective Low-Background Fluorescent Imaging Agent for Nitric Oxide","Journal of the American Chemical Society","2010","132","","13114","13116","10.1021/ja1040013","","","0.71073","MoKα","","0.0945","0.0515","","","0.1085","0.1275","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103087","18.4363","0.0009","19.1408","0.001","31.0479","0.0016","89.481","0.001","79.964","0.001","62.354","0.001","9524.5","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","U18Py2PCP6","","","- C6 K11 O127 P16 U18.5 -","- C6 K11 O127 P16 U18.5 -","- C12 K22 O254 P32 U37 -","2","1","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0512","0.0371","","","0.0909","0.094","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103088","29.819","0.002","27.014","0.002","26.777","0.002","90","","90","","90","","21570","3","193","2","193","2","","","","","","","","4","C m c e","-C 2ac 2","64","U20Py6a","","","- K10 O134 P12 U20 -","- K10 O134 P12 U20 -","- K40 O536 P48 U80 -","4","0.25","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.053","0.0469","","","0.1499","0.1527","","","","","","1.173","","","","has coordinates","270822","2021-11-23","08:35:27",""
"4103089","35.968","0.005","18.094","0.002","31.033","0.005","90","","115.851","0.004","90","","18175","4","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","U20Py6b","","","- K14 O132 P12 U20 -","- K14 O132 P12 U20 -","- K56 O528 P48 U80 -","4","0.5","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0959","0.0608","","","0.1473","0.16","","","","","","0.945","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103090","30.641","0.002","19.1329","0.0015","21.936","0.003","90","","129.563","0.001","90","","9914.1","1.7","273","2","273","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","U20Py10","","","- K29 O158 P20 U20 -","- K29 O158 P20 U20 -","- K58 O316 P40 U40 -","2","0.25","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0445","0.0346","","","0.0957","0.0986","","","","","","1.076","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103091","25.237","0.0008","25.237","0.0008","21.9026","0.0007","90","","90","","90","","13949.9","0.8","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","U24PCP12","","","- C12 O168 P24 U24 -","- C12 O168 P24 U24 -","- C24 O336 P48 U48 -","2","0.125","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0397","0.0302","","","0.0721","0.0736","","","","","","0.935","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103092","22.746","0.002","22.746","0.002","30.426","0.004","90","","90","","90","","15742","3","273","2","273","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","U24Py12","","","- Na8 O180 P24 U24 -","- Na8 O180 P24 U24 -","- Na16 O360 P48 U48 -","2","0.125","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0598","0.0493","","","0.1329","0.1369","","","","","","1.015","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103093","32.035","0.002","18.9376","0.0013","37.919","0.003","90","","106.728","0.002","90","","22031","3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","U26Py6","","","- K9 O162 P12 U26 -","- K9 O162 P12 U26 -","- K36 O648 P48 U104 -","4","0.5","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0606","0.0452","","","0.1135","0.1176","","","","","","0.998","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103094","25.225","0.002","19.7976","0.0019","27.139","0.003","90","","95.21","0.001","90","","13497","2","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","U26Py11","","","- K20 O185 P22 U26 -","- K20 O185 P22 U26 -","- K40 O370 P44 U52 -","2","0.5","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0564","0.0481","","","0.1269","0.1299","","","","","","1.055","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103095","28.456","0.003","28.456","0.003","28.08","0.007","90","","90","","90","","22738","7","273","2","273","2","","","","","","","","4","I 4 m m","I 4 -2","107","U32Py16","","","- Na4 O240 P32 U32 -","- Na4 O240 P32 U32 -","- Na8 O480 P64 U64 -","2","0.125","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0313","0.0279","","","0.0686","0.0691","","","","","","0.968","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103096","12.73","0.002","28.884","0.005","18.417","0.003","90","","94.92","0.002","90","","6746.9","1.9","15","2","15","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Dipp*GeAgGeDipp*][SbF6].2chlorobenzene","","","- C72 H84 Ag Cl2 F6 Ge2 Sb -","- C72 H84 Ag Cl2 F6 Ge2 Sb -","- C288 H336 Ag4 Cl8 F24 Ge8 Sb4 -","4","0.5","","Xinping Wang; Yang Peng; Marilyn M. Olmstead; Håkon Hope; Philip P. Power","A Ditetrylyne as a π-Electron Donor: Synthesis and Characterization of [AgAr'GeGeAr']+SbF6- and [Ag2Ar'GeGe(F)Ar']+SbF6- (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2)","Journal of the American Chemical Society","2010","132","","13150","13151","10.1021/ja1051236","","","0.71073","MoKα","","0.0933","0.0746","","","0.166","0.1767","","","","","","1.22","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103097","21.2232","0.0006","12.9714","0.0004","24.1179","0.0009","90","","108.767","0.003","90","","6286.5","0.4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[D*GeAgGeFAgD*][SbF6].chlorobenzene","","","- C66 H79 Ag2 Cl F7 Ge2 Sb -","- C66 H79 Ag2 Cl F7 Ge2 Sb -","- C264 H316 Ag8 Cl4 F28 Ge8 Sb4 -","4","0.5","","Xinping Wang; Yang Peng; Marilyn M. Olmstead; Håkon Hope; Philip P. Power","A Ditetrylyne as a π-Electron Donor: Synthesis and Characterization of [AgAr'GeGeAr']+SbF6- and [Ag2Ar'GeGe(F)Ar']+SbF6- (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2)","Journal of the American Chemical Society","2010","132","","13150","13151","10.1021/ja1051236","","","0.71073","MoKα","","0.046","0.0424","","","0.0836","0.0849","","","","","","1.22","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103098","8.5681","0.0004","17.6354","0.0008","8.9391","0.0004","90","","98.93","0.001","90","","1334.34","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Thiourea - 1,2-bis(4-pyridyl)ethylene (1:1 co-crystal)","","- C13 H14 N4 S -","- C13 H14 N4 S -","- C52 H56 N16 S4 -","4","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0421","0.0369","","","0.1008","0.107","","","","","","1.046","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103099","8.5377","0.0007","37.726","0.003","9.988","0.0008","90","","113.591","0.001","90","","2948.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Thiourea - 1-(4-pyridyl)-2-(4-cyanophenyl)ethylene (2:2 co-crystal)","","- C30 H28 N8 S2 -","- C30 H28 N8 S2 -","- C120 H112 N32 S8 -","4","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0641","0.0467","","","0.1215","0.1374","","","","","","1.065","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103100","8.4015","0.0005","17.9557","0.001","18.3422","0.001","90","","90.894","0.001","90","","2766.7","0.3","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","Thiourea - 1-(4-pyridyl)-2-(phenyl)ethylene (4:4 co-crystal)","","- C56 H60 N12 S4 -","- C56 H60 N12 S4 -","- C112 H120 N24 S8 -","2","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.078","0.0438","","","0.0934","0.1089","","","","","","1.015","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103101","8.6368","0.0004","9.0716","0.0004","18.1959","0.0009","90","","101.156","0.001","90","","1398.7","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Thiourea - 1-(4-pyridyl)-2-(4-fluorophenyl)ethylene (1:1 co-crystal)","","- C14 H14 F N3 S -","- C14 H14 F N3 S -","- C56 H56 F4 N12 S4 -","4","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0736","0.045","","","0.1146","0.1314","","","","","","1.025","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103102","8.5011","0.0005","18.8095","0.0011","18.3865","0.001","90","","98.242","0.001","90","","2909.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Thiourea - 1-(4-pyridyl)-2-(4-chlorophenyl)ethylene (1:1 co-crystal)","","- C14 H14 Cl N3 S -","- C14 H14 Cl N3 S -","- C112 H112 Cl8 N24 S8 -","8","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0702","0.049","","","0.1164","0.131","","","","","","1.061","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103103","8.5033","0.0004","18.8687","0.0008","18.5703","0.0008","90","","97.819","0.001","90","","2951.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Thiourea - 1-(4-pyridyl)-2-(4-bromophenyl)ethylene (1:1 co-crystal)","","- C14 H14 Br N3 S -","- C14 H14 Br N3 S -","- C112 H112 Br8 N24 S8 -","8","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0567","0.0372","","","0.0881","0.0977","","","","","","1.084","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103104","30.3481","0.0014","8.5791","0.0004","11.2687","0.0005","90","","95.238","0.001","90","","2921.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Thiourea - 1-(4-pyridyl)-2-(4-tolyl)ethylene (2:2 co-crystal)","","- C30 H34 N6 S2 -","- C30 H34 N6 S2 -","- C120 H136 N24 S8 -","4","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0654","0.0457","","","0.114","0.1293","","","","","","1.022","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103105","8.4917","0.0009","11.8893","0.0013","15.9374","0.0017","83.888","0.002","82.103","0.002","72.755","0.002","1518.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Thiourea - 1-(4-pyridyl)-2-(4-methoxyphenyl)ethylene (2:2 co-crystal)","","- C30 H34 N6 O2 S2 -","- C30 H34 N6 O2 S2 -","- C60 H68 N12 O4 S4 -","2","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0662","0.0447","","","0.1132","0.13","","","","","","1.017","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103106","8.1013","0.0004","19.9354","0.001","9.799","0.0005","90","","90","","90","","1582.56","0.14","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Thiourea - 1-(4-pyridyl)-2-(2,4-dichlorophenyl)ethylene (1:1 co-crystal)","","- C14 H13 Cl2 N3 S -","- C14 H13 Cl2 N3 S -","- C56 H52 Cl8 N12 S4 -","4","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.043","0.0306","","","0.0686","0.0744","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103107","30.6036","0.0019","8.7108","0.0005","11.9036","0.0007","90","","98.025","0.001","90","","3142.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Thiourea - 1-(4-pyridyl)-2-(4-ethylphenyl)ethylene (2:2 co-crystal)","","- C32 H38 N6 S2 -","- C32 H38 N6 S2 -","- C128 H152 N24 S8 -","4","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0795","0.059","","","0.151","0.1739","","","","","","1.04","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103108","8.5713","0.0009","13.2462","0.0014","15.878","0.0017","70.433","0.002","82.671","0.002","71.703","0.002","1612.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Thiourea - 1-(4-pyridyl)-2-(2-naphthyl)ethylene (2:2 co-crystal)","","- C36 H34 N6 S2 -","- C36 H34 N6 S2 -","- C72 H68 N12 S4 -","2","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.06","0.0459","","","0.1145","0.1311","","","","","","1.024","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103109","8.4795","0.0003","9.5571","0.0003","10.604","0.0003","91.245","0.001","98.067","0.001","95.441","0.001","846.47","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Thiourea - trans-1-(2-Pyridyl)-2-(4-pyridyl)ethylene (2:1 co-crystal)","","- C14 H18 N6 S2 -","- C14 H18 N6 S2 -","- C28 H36 N12 S4 -","2","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0437","0.0407","","","0.1028","0.1072","","","","","","1.082","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103110","8.5533","0.0006","9.606","0.0006","11.5275","0.0008","68.215","0.001","75.05","0.001","83.772","0.001","849.64","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","thiourea and 1-(2-pyridyl)-2-(3-pyridyl)ethylene (2:1 Co-crystal)","","- C14 H18 N6 S2 -","- C14 H18 N6 S2 -","- C28 H36 N12 S4 -","2","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.051","0.0403","","","0.1003","0.1083","","","","","","1.017","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103111","8.1625","0.0007","22.6","0.002","9.7018","0.0009","90","","107.557","0.001","90","","1706.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Thiourea - 1,2-bis(2-pyridyl)ethylene (2:1 co-crystal)","","- C14 H18 N6 S2 -","- C14 H18 N6 S2 -","- C56 H72 N24 S8 -","4","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.0481","0.0436","","","0.1052","0.1082","","","","","","1.147","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103112","10.3592","0.0002","10.4724","0.0002","11.3705","0.0001","102.787","0.001","93.846","0.001","90.24","","1200.01","0.03","84","2","84","2","","","","","","","","8","P 1","P 1","1","","","","- C49 H51 F6 Ir N O P3 S3 -","- C49 H51 F6 Ir N O P3 S3 -","- C49 H51 F6 Ir N O P3 S3 -","1","1","","George R. Clark; Lauren A. Ferguson; Amy E. McIntosh; Tilo Söhnel; L. James Wright","Functionalization of Metallabenzenes through Nucleophilic Aromatic Substitution of Hydrogen","Journal of the American Chemical Society","2010","132","","13443","13452","10.1021/ja105239t","","","0.71073","MoKα","","0.064","0.0623","","","0.152","0.1542","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103113","11.4866","0.0008","14.6889","0.001","27.657","0.002","96.337","0.006","90.484","0.006","102.217","0.005","4530.5","0.6","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H47 F6 Ir N P3 S3 -","- C47 H47 F6 Ir N P3 S3 -","- C188 H188 F24 Ir4 N4 P12 S12 -","4","2","","George R. Clark; Lauren A. Ferguson; Amy E. McIntosh; Tilo Söhnel; L. James Wright","Functionalization of Metallabenzenes through Nucleophilic Aromatic Substitution of Hydrogen","Journal of the American Chemical Society","2010","132","","13443","13452","10.1021/ja105239t","","","0.71073","MoKα","","0.2261","0.0907","","","0.1925","0.2505","","","","","","1.012","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103114","17.8209","0.001","10.1255","0.0006","23.1175","0.0012","90","","96.557","0.004","90","","4144.2","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H44 Ir N P2 S3 -","- C47 H44 Ir N P2 S3 -","- C188 H176 Ir4 N4 P8 S12 -","4","1","","George R. Clark; Lauren A. Ferguson; Amy E. McIntosh; Tilo Söhnel; L. James Wright","Functionalization of Metallabenzenes through Nucleophilic Aromatic Substitution of Hydrogen","Journal of the American Chemical Society","2010","132","","13443","13452","10.1021/ja105239t","","","0.71073","MoKα","","0.2008","0.0791","","","0.1388","0.1816","","","","","","0.965","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103115","11.86","0.0003","21.6582","0.0005","19.9376","0.0005","90","","101.649","0.001","90","","5015.8","0.2","89","2","89","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H53 Cl2 F6 Ir N P3 S3 -","- C50 H53 Cl2 F6 Ir N P3 S3 -","- C200 H212 Cl8 F24 Ir4 N4 P12 S12 -","4","1","","George R. Clark; Lauren A. Ferguson; Amy E. McIntosh; Tilo Söhnel; L. James Wright","Functionalization of Metallabenzenes through Nucleophilic Aromatic Substitution of Hydrogen","Journal of the American Chemical Society","2010","132","","13443","13452","10.1021/ja105239t","","","0.71073","MoKα","","0.0492","0.0303","","","0.0615","0.0688","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103116","9.899","0.003","13.034","0.005","15.353","0.007","90","","101.97","0.015","90","","1937.8","1.3","123.1","","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H20 Cl N O2 S -","- C21 H20 Cl N O2 S -","- C84 H80 Cl4 N4 O8 S4 -","4","2","","Ryo Shintani; Momotaro Takeda; Takaoki Tsuji; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Arylation of N-Tosyl Ketimines","Journal of the American Chemical Society","2010","132","","13168","13169","10.1021/ja106114q","","","0.71075","MoKα","","","0.0501","","","","0.061","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103117","18.014","0.004","24.694","0.005","26.113","0.005","90","","90","","90","","11616","4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37.75 N2 O7 -","- C31 H37.75 N2 O7 -","- C496 H604 N32 O112 -","16","4","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.152","0.0784","","","0.1919","0.2458","","","","","","0.992","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103118","8.8278","0.0018","16.708","0.003","30.252","0.006","90","","90","","90","","4462","1.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C192 H240 N16 O40 -","8","2","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.0778","0.0614","","","0.1359","0.1439","","","","","","1.117","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103119","10.979","0.002","9.2119","0.0018","11.677","0.002","90","","90.66","0.03","90","","1180.9","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O7 -","- C24 H30 N2 O7 -","- C48 H60 N4 O14 -","2","1","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.0892","0.0661","","","0.1245","0.1344","","","","","","1.107","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103120","15.515","0.003","16.884","0.003","17.999","0.004","90","","90","","90","","4714.9","1.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Cl N2 O5 -","- C24 H31 Cl N2 O5 -","- C192 H248 Cl8 N16 O40 -","8","2","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.0698","0.0595","","","0.1313","0.136","","","","","","1.156","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103121","15.716","0.003","16.897","0.003","18.545","0.004","90","","90","","90","","4924.7","1.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 I N2 O5 -","- C24 H31 I N2 O5 -","- C192 H248 I8 N16 O40 -","8","2","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.0506","0.0445","","","0.1113","0.116","","","","","","1.064","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103122","7.8185","0.0016","8.3688","0.0017","22.032","0.004","90","","95","0.03","90","","1436.1","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O7 -","- C30 H36 N2 O7 -","- C60 H72 N4 O14 -","2","1","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.0979","0.0758","","","0.1988","0.219","","","","","","0.908","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103123","13.2107","0.001","11.2408","0.0009","13.749","0.001","90","","91.133","0.002","90","","2041.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 B F10 N2 -","- C19 H15 B F10 N2 -","- C76 H60 B4 F40 N8 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0921","0.0425","","","0.0921","0.1135","","","","","","0.997","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103124","11.4966","0.0006","11.8061","0.0006","16.2558","0.0009","90","","101.241","0.003","90","","2164.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 B F10 N2 -","- C21 H19 B F10 N2 -","- C84 H76 B4 F40 N8 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0639","0.0388","","","0.0841","0.0944","","","","","","1.016","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103125","34.51","0.003","11.4156","0.001","12.7933","0.0011","90","","109.377","0.008","90","","4754.5","0.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H15.5 B Cl F10 N2 O2 -","- C20.5 H15.5 B Cl F10 N2 O2 -","- C164 H124 B8 Cl8 F80 N16 O16 -","8","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.1895","0.0686","","","0.1894","0.2653","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103126","11.2343","0.0005","16.3811","0.0007","15.2027","0.0007","90","","97.19","0.002","90","","2775.8","0.2","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 B F10 N4 -","- C26 H29 B F10 N4 -","- C104 H116 B4 F40 N16 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.076","0.0396","","","0.0849","0.0989","","","","","","1.011","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103127","16.1775","0.0008","9.8189","0.0005","12.9563","0.0006","90","","95.769","0.001","90","","2047.62","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 B F10 N2 O -","- C20 H15 B F10 N2 O -","- C80 H60 B4 F40 N8 O4 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0471","0.0358","","","0.0929","0.1005","","","","","","1.026","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103128","10.3891","0.0004","11.689","0.0004","21.6116","0.0007","90","","96.453","0.001","90","","2607.85","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 B F10 N3 -","- C24 H24 B F10 N3 -","- C96 H96 B4 F40 N12 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0779","0.0453","","","0.1158","0.1359","","","","","","1.029","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103129","9.7338","0.0003","14.8731","0.0004","18.2826","0.0005","90","","93.477","0.002","90","","2641.93","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 B F10 N2 O -","- C28 H25 B F10 N2 O -","- C112 H100 B4 F40 N8 O4 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0649","0.0405","","","0.1043","0.1176","","","","","","1.026","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103130","8.2916","0.0012","10.6546","0.0015","12.5718","0.0018","100.759","0.007","98.769","0.007","101.432","0.007","1048.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 B F10 N3 -","- C21 H18 B F10 N3 -","- C42 H36 B2 F20 N6 -","2","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0701","0.0429","","","0.1141","0.1282","","","","","","1.027","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103131","8.4288","0.0003","9.3068","0.0004","17.6394","0.0008","76.475","0.002","85.958","0.002","89.111","0.002","1342","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 B F10 N2 -","- C27 H21 B F10 N2 -","- C54 H42 B2 F20 N4 -","2","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.1082","0.0531","","","0.1387","0.169","","","","","","1.014","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103132","14.6255","0.0012","16.4744","0.0016","20.2803","0.0018","90","","90","","90","","4886.5","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H19 B F10 N2 -","- C25 H19 B F10 N2 -","- C200 H152 B8 F80 N16 -","8","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0614","0.0374","","","0.0761","0.0875","","","","","","0.966","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103133","14.3554","0.0003","15.9382","0.0003","20.1115","0.0004","89.598","0.001","74.192","0.001","64.346","0.001","3958.26","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 B F10 N2 -","- C19 H15 B F10 N2 -","- C152 H120 B8 F80 N16 -","8","4","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0947","0.0517","","","0.1192","0.1406","","","","","","1.025","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103134","9.4012","0.0005","10.2413","0.0004","17.7652","0.0008","90","","90","","90","","1710.44","0.14","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 B N O3 -","- C19 H26 B N O3 -","- C76 H104 B4 N4 O12 -","4","1","","Toshimichi Ohmura; Tomotsugu Awano; Michinori Suginome","Stereospecific Suzuki-Miyaura Coupling of Chiral α-(Acylamino)benzylboronic Esters with Inversion of Configuration","Journal of the American Chemical Society","2010","132","","13191","13193","10.1021/ja106632j","","","0.71075","MoKα","","0.0687","0.0402","","","0.0747","0.0919","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103135","5.6619","0.0003","10.3717","0.0006","30.2873","0.0014","90","","90","","90","","1778.58","0.16","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Cl N O2 -","- C22 H20 Cl N O2 -","- C88 H80 Cl4 N4 O8 -","4","1","","Toshimichi Ohmura; Tomotsugu Awano; Michinori Suginome","Stereospecific Suzuki-Miyaura Coupling of Chiral α-(Acylamino)benzylboronic Esters with Inversion of Configuration","Journal of the American Chemical Society","2010","132","","13191","13193","10.1021/ja106632j","","","0.71075","MoKα","","0.0317","0.0292","","","0.0715","0.0732","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103136","8.1081","0.0005","20.472","0.0013","19.2978","0.0013","90","","92.273","0.001","90","","3200.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H38 Br N3 O4 -","- C35 H39.5 Br N3 O4 -","- C140 H158 Br4 N12 O16 -","4","2","","Zhiwei Zuo; Weiqing Xie; Dawei Ma","Total Synthesis and Absolute Stereochemical Assignment of (-)-Communesin F","Journal of the American Chemical Society","2010","132","","13226","13228","10.1021/ja106739g","","","0.71073","MoKα","","0.1061","0.0535","","","0.1023","0.1131","","","","","","0.742","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103137","9.9282","0.0004","9.1895","0.0003","14.1922","0.0005","90","","91.579","0.002","90","","1294.34","0.08","193","2","193","2","","","","","","","chemical synthesis","4","P 1 2/c 1","-P 2yc","13","","Bis[2-(N,N-dimethylaminomethyl)phenyl-C,N]pyridineiron(II) Benzene Solvate","","- C29 H35 Fe N3 -","- C29 H35 Fe N3 -","- C58 H70 Fe2 N6 -","2","0.5","","Wu, Jessica Y.; Stanzl, Benjamin N.; Ritter, Tobias","A Strategy for the Synthesis of Well-Defined Iron Catalysts and Application to Regioselective Diene Hydrosilylation","Journal of the American Chemical Society","2010","132","38","13214","13216","10.1021/ja106853y","","","0.71073","MoKα","","0.0529","0.032","","","0.0589","0.0656","","","","","","1.04","","","","has coordinates,has disorder","276389","2022-06-29","09:14:29",""
"4103138","11.816","0.002","17.074","0.003","19.126","0.003","102.702","0.003","100.082","0.003","99.736","0.003","3618.4","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Bis((2,6-diisopropylphenyl)iminopyridyl) pyridine iron(II)","","","- C41 H49 Fe N5 -","- C41 H49 Fe N5 -","- C164 H196 Fe4 N20 -","4","2","","Wu, Jessica Y.; Stanzl, Benjamin N.; Ritter, Tobias","A Strategy for the Synthesis of Well-Defined Iron Catalysts and Application to Regioselective Diene Hydrosilylation","Journal of the American Chemical Society","2010","132","38","13214","13216","10.1021/ja106853y","","","0.71073","MoKα","","0.1065","0.0561","","","0.1221","0.1462","","","","","","0.975","","","","has coordinates","219217","2020-10-21","18:00:00",""
"4103139","37.4619","0.0019","37.4619","0.0019","20.9301","0.0015","90","","90","","120","","25438","3","93.1","","93.1","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C390 H336 Br6 I12 N18 O6 -","- C390.36 H324.36 Br6.12 I12 N18 O6 -","- C1171.08 H973.08 Br18.36 I36 N54 O18 -","3","0.166667","","Shuichi Hiraoka; Takashi Nakamura; Motoo Shiro; Mitsuhiko Shionoya","In-Water Truly Monodisperse Aggregation of Gear-Shaped Amphiphiles Based on Hydrophobic Surface Engineering","Journal of the American Chemical Society","2010","132","","13223","13225","10.1021/ja1069135","","","1.54187","CuKα","","","0.1452","","","","0.4109","","","","","","1.421","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103140","7.6944","0.0019","8.914","0.002","9.926","0.003","96.945","0.004","102.309","0.004","91.532","0.004","659.3","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N2 O2 -","- C32 H32 N2 O2 -","- C32 H32 N2 O2 -","1","0.5","","Seong-Jun Yoon; Jong Won Chung; Johannes Gierschner; Kil Suk Kim; Moon-Gun Choi; Dongho Kim; Soo Young Park","Multistimuli Two-Color Luminescence Switching via Different Slip-Stacking of Highly Fluorescent Molecular Sheets","Journal of the American Chemical Society","2010","132","","13675","13683","10.1021/ja1044665","","","0.71073","MoKα","","0.0721","0.0618","","","0.1809","0.1938","","","","","","1.052","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103141","12.863","0.01","19.259","0.015","3.596","0.003","90","","90","","90","","890.8","1.2","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl H10 O9 Yb3 -","- O7 Yb3 -","- O28 Yb12 -","4","0.25","","Helen V. Goulding; Sarah E. Hulse; William Clegg; Ross W. Harrington; Helen Y. Playford; Richard I. Walton; Andrew M. Fogg","Yb3O(OH)6Cl.2H2O: An Anion-Exchangeable Hydroxide with a Cationic Inorganic Framework Structure","Journal of the American Chemical Society","2010","132","","13618","13620","10.1021/ja104636x","","","0.6889","synchrotron","","0.0749","0.0582","","","0.1418","0.1485","","","","","","0.986","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103142","19.3079","0.0012","16.9887","0.0011","24.5185","0.0017","90","","104.227","0.005","90","","7795.8","0.9","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H55 B F4 N5 O P2 Rh -","- C33 H55 B F4 N5 O P2 Rh -","- C264 H440 B8 F32 N40 O8 P16 Rh8 -","8","2","","Lisa D. Julian; John F. Hartwig","Intramolecular Hydroamination of Unbiased and Functionalized Primary Aminoalkenes Catalyzed by a Rhodium Aminophosphine Complex","Journal of the American Chemical Society","2010","132","","13813","13822","10.1021/ja1052126","","","0.71073","MoKα","","0.2036","0.0762","","","0.1877","0.2532","","","","","","0.989","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103143","17.6713","0.0007","23.1701","0.0009","28.4113","0.0011","90","","90","","90","","11632.9","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 F12 N3 O2 S -","- C26 H23 F12 N3 O2 S -","- C416 H368 F192 N48 O32 S16 -","16","4","","Eric G. Klauber; Chandra Kanta De; Tejas K. Shah; Daniel Seidel","Merging Nucleophilic and Hydrogen Bonding Catalysis: An Anion Binding Approach to the Kinetic Resolution of Propargylic Amines","Journal of the American Chemical Society","2010","132","","13624","13626","10.1021/ja105337h","","","0.71073","MoKα","","0.1346","0.0778","","","0.1667","0.1877","","","","","","1.024","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103144","4.9747","0.0003","9.0028","0.0006","16.3273","0.0011","90","","94.265","0.001","90","","729.21","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl N O -","- C17 H14 Cl N O -","- C34 H28 Cl2 N2 O2 -","2","1","","Eric G. Klauber; Chandra Kanta De; Tejas K. Shah; Daniel Seidel","Merging Nucleophilic and Hydrogen Bonding Catalysis: An Anion Binding Approach to the Kinetic Resolution of Propargylic Amines","Journal of the American Chemical Society","2010","132","","13624","13626","10.1021/ja105337h","","","0.71073","MoKα","","0.044","0.0407","","","0.0909","0.0927","","","","","","1.007","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103145","13.7797","0.0006","9.5135","0.0005","16.2298","0.0006","90","","117.249","0.003","90","","1891.5","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N3 Ni -","- C21 H23 N3 Ni -","- C84 H92 N12 Ni4 -","4","1","","Anna Magdalena Oertel; Vincent Ritleng; Michael J. Chetcuti; Luis F. Veiros","C-H Activation of Acetonitrile at Nickel: Ligand Flip and Conversion of N-Bound Acetonitrile into a C-Bound Cyanomethyl Ligand","Journal of the American Chemical Society","2010","132","","13588","13589","10.1021/ja105368p","","","0.71073","MoKα","","0.0446","0.034","","","0.0973","0.1093","","","","","","1.176","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103146","14.0902","0.0004","11.4279","0.0005","16.0073","0.0006","90","","110.029","0.002","90","","2421.63","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N3 Ni -","- C28 H31 N3 Ni -","- C112 H124 N12 Ni4 -","4","1","","Anna Magdalena Oertel; Vincent Ritleng; Michael J. Chetcuti; Luis F. Veiros","C-H Activation of Acetonitrile at Nickel: Ligand Flip and Conversion of N-Bound Acetonitrile into a C-Bound Cyanomethyl Ligand","Journal of the American Chemical Society","2010","132","","13588","13589","10.1021/ja105368p","","","0.71073","MoKα","","0.068","0.0417","","","0.0834","0.094","","","","","","1.014","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103147","13.8731","0.0011","20.8602","0.0017","21.8492","0.0018","90","","90","","90","","6323.1","0.9","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C81 H66 Br Fe N2 O6 -","- C81 H62 Br Fe N2 O6 -","- C324 H248 Br4 Fe4 N8 O24 -","4","1","","Hiromichi Egami; Kenji Matsumoto; Takuya Oguma; Takashi Kunisu; Tsutomu Katsuki","Enantioenriched Synthesis of C1-Symmetric BINOLs: Iron-Catalyzed Cross-Coupling of 2-Naphthols and Some Mechanistic Insight","Journal of the American Chemical Society","2010","132","","13633","13635","10.1021/ja105442m","","","0.71073","MoKα","","0.0607","0.0427","","","0.0947","0.1022","","","","","","0.998","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103148","15.1812","0.0018","15.1812","0.0018","52.476","0.006","90","","90","","90","","12094","2","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C152 H142 Fe2 N4 O10 -","- C152 H100 Fe2 N4 O10 -","- C608 H400 Fe8 N16 O40 -","4","0.5","","Hiromichi Egami; Kenji Matsumoto; Takuya Oguma; Takashi Kunisu; Tsutomu Katsuki","Enantioenriched Synthesis of C1-Symmetric BINOLs: Iron-Catalyzed Cross-Coupling of 2-Naphthols and Some Mechanistic Insight","Journal of the American Chemical Society","2010","132","","13633","13635","10.1021/ja105442m","","","0.71073","MoKα","","0.0817","0.0688","","","0.1985","0.2076","","","","","","1.106","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103149","10.4897","0.0004","12.1851","0.0004","19.8709","0.0011","100.796","0.002","99.262","0.002","93.058","0.001","2453.23","0.19","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 Au2 N2 O7 P4 -","- C52 H46 Au2 N2 O7 P4 -","- C104 H92 Au4 N4 O14 P8 -","2","1","","Andrea Deák; Tünde Tunyogi; Zoltán Károly; Szilvia Klébert; Gábor Pálinkás","Guest Escape and Uptake in Nonporous Crystals of a Gold(I) Macrocycle","Journal of the American Chemical Society","2010","132","","13627","13629","10.1021/ja105458e","","","0.7107","MoKα","","0.084","0.0627","","","0.1798","0.2188","","","","","","1.081","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103150","10.2469","0.0016","12.2663","0.0019","19.899","0.003","100.672","0.007","99.456","0.007","91.69","0.007","2419.8","0.7","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.81 H47.23 Au2 N2 O6.81 P4 -","- C52.808 H47.232 Au2 N2 O6.808 P4 -","- C105.616 H94.464 Au4 N4 O13.616 P8 -","2","1","","Andrea Deák; Tünde Tunyogi; Zoltán Károly; Szilvia Klébert; Gábor Pálinkás","Guest Escape and Uptake in Nonporous Crystals of a Gold(I) Macrocycle","Journal of the American Chemical Society","2010","132","","13627","13629","10.1021/ja105458e","","","0.7107","MoKα","","0.0493","0.0439","","","0.098","0.1","","","","","","1.112","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103151","10.3075","0.0014","12.0786","0.0016","19.744","0.003","102.098","0.003","98.414","0.003","93.488","0.004","2367","0.6","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H44 Au2 N2 O6 P4 -","- C52 H44 Au2 N2 O6 P4 -","- C104 H88 Au4 N4 O12 P8 -","2","1","","Andrea Deák; Tünde Tunyogi; Zoltán Károly; Szilvia Klébert; Gábor Pálinkás","Guest Escape and Uptake in Nonporous Crystals of a Gold(I) Macrocycle","Journal of the American Chemical Society","2010","132","","13627","13629","10.1021/ja105458e","","","0.56089","AgKα","","0.042","0.0322","","","0.0672","0.0704","","","","","","1.052","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103152","10.1132","0.0018","12.053","0.002","19.88","0.004","98.638","0.008","101.042","0.007","90.974","0.008","2348.8","0.7","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H44 Au2 N2 O6 P4 -","- C52 H44 Au2 N2 O6 P4 -","- C104 H88 Au4 N4 O12 P8 -","2","1","","Andrea Deák; Tünde Tunyogi; Zoltán Károly; Szilvia Klébert; Gábor Pálinkás","Guest Escape and Uptake in Nonporous Crystals of a Gold(I) Macrocycle","Journal of the American Chemical Society","2010","132","","13627","13629","10.1021/ja105458e","","","0.7107","MoKα","","0.0568","0.0469","","","0.0806","0.0843","","","","","","1.063","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103153","7.2955","0.0002","11.2522","0.0003","9.2269","0.0002","90","","103.73","0.001","90","","735.8","0.03","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium dodecafluoro-closo-dodecaborate(2-) dihydrate","","","- B12 F12 H4 K2 O2 -","- B12 F12 H4 K2 O2 -","- B24 F24 H8 K4 O4 -","2","0.5","","Dmitry V. Peryshkov; Alexey A. Popov; Steven H. Strauss","Latent Porosity in Potassium Dodecafluoro-closo-dodecaborate(2-). Structures and Rapid Room Temperature Interconversions of Crystalline K2B12F12, K2(H2O)2B12F12, and K2(H2O)4B12F12 in the Presence of Water Vapor","Journal of the American Chemical Society","2010","132","","13902","13913","10.1021/ja105522d","","","0.71073","MoKα","","0.0211","0.0198","","","0.0572","0.058","","","","","","1.109","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103154","8.3988","0.0003","8.5982","0.0004","12.7454","0.0005","98.83","0.002","102.056","0.002","104.958","0.002","848.39","0.06","110","2","110","2","","","","","","","","5","P -1","-P 1","2","potassium dodecafluoro-closo-dodecaborate(2-) tetrahydrate","","","- B12 F12 H8 K2 O4 -","- B12 F12 H8 K2 O4 -","- B24 F24 H16 K4 O8 -","2","1","","Dmitry V. Peryshkov; Alexey A. Popov; Steven H. Strauss","Latent Porosity in Potassium Dodecafluoro-closo-dodecaborate(2-). Structures and Rapid Room Temperature Interconversions of Crystalline K2B12F12, K2(H2O)2B12F12, and K2(H2O)4B12F12 in the Presence of Water Vapor","Journal of the American Chemical Society","2010","132","","13902","13913","10.1021/ja105522d","","","0.71073","MoKα","","0.0221","0.0204","","","0.057","0.0582","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103155","4.6663","0.0004","8.7995","0.0007","9.4153","0.0008","90","","90.325","0.005","90","","386.6","0.06","243","2","243","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","F Xe O N O2","","","- F N O3 Xe -","- F N O3 Xe -","- F4 N4 O12 Xe4 -","4","1","","Matthew D. Moran; David S. Brock; Hélène P. A. Mercier; Gary J. Schrobilgen","Xe3OF3+, a Precursor to a Noble-Gas Nitrate; Syntheses and Structural Characterizations of FXeONO2, XeF2.HNO3, and XeF2.N2O4","Journal of the American Chemical Society","2010","132","","13823","13839","10.1021/ja105618w","","","0.71073","MoKα","","0.0559","0.0417","","","0.0771","0.0807","","","","","","1.755","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103156","17.3543","0.0007","5.6539","0.0002","4.7658","0.0002","90","","90","","90","","467.62","0.03","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- F2 H N O3 Xe -","- F2 H N O3 Xe -","- F8 H4 N4 O12 Xe4 -","4","0.5","","Matthew D. Moran; David S. Brock; Hélène P. A. Mercier; Gary J. Schrobilgen","Xe3OF3+, a Precursor to a Noble-Gas Nitrate; Syntheses and Structural Characterizations of FXeONO2, XeF2.HNO3, and XeF2.N2O4","Journal of the American Chemical Society","2010","132","","13823","13839","10.1021/ja105618w","","","0.71073","MoKα","","0.016","0.014","","","0.0311","0.0317","","","","","","1.302","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4103157","4.5822","0.0003","5.0597","0.0003","6.2761","0.0005","79.17","0.007","88.454","0.005","81.083","0.005","141.189","0.017","243","2","243","2","","","","","","","","4","P -1","-P 1","2","Xe F2 N2 O4","","","- F2 N2 O4 Xe -","- F2 N2 O4 Xe -","- F2 N2 O4 Xe -","1","0.5","","Matthew D. Moran; David S. Brock; Hélène P. A. Mercier; Gary J. Schrobilgen","Xe3OF3+, a Precursor to a Noble-Gas Nitrate; Syntheses and Structural Characterizations of FXeONO2, XeF2.HNO3, and XeF2.N2O4","Journal of the American Chemical Society","2010","132","","13823","13839","10.1021/ja105618w","","","0.71073","MoKα","","0.0419","0.0385","","","0.0725","0.0742","","","","","","1.066","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103158","10.4241","0.0005","10.8197","0.0004","14.1094","0.0006","90","","101.722","0.002","90","","1558.15","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H37 Br O6 -","- C36 H37 Br O6 -","- C72 H74 Br2 O12 -","2","1","","Ji Qi; Aaron B. Beeler; Qiang Zhang; John A. Porco, Jr.","Catalytic Enantioselective Alkylative Dearomatization-Annulation: Total Synthesis and Absolute Configuration Assignment of Hyperibone K","Journal of the American Chemical Society","2010","132","","13642","13644","10.1021/ja1057828","","","0.71073","MoKα","","0.0563","0.0376","","","0.0728","0.0798","","","","","","0.938","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103159","10.858","0.002","13.071","0.003","13.421","0.003","98.01","0.03","114.7","0.03","95.4","0.03","1688.9","0.8","393","2","393","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H33 Cu F12 N4 O6 -","- C27.5 H33 Cu F12 N4 O6 -","- C55 H66 Cu2 F24 N8 O12 -","2","1","","Matvey V. Fedin; Sergey L. Veber; Ksenia Yu. Maryunina; Galina V. Romanenko; Elizaveta A. Suturina; Nina P. Gritsan; Renad Z. Sagdeev; Victor I. Ovcharenko; Elena G. Bagryanskaya","Intercluster Exchange Pathways in Polymer-Chain Molecular Magnets Cu(hfac)2LR Unveiled by Electron Paramagnetic Resonance","Journal of the American Chemical Society","2010","132","","13886","13891","10.1021/ja105862w","","","0.71073","MoKα","","0.0437","0.0414","","","0.1123","0.1144","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103160","10.8114","0.0017","13.26","0.002","13.415","0.002","99.515","0.002","95.225","0.002","114.016","0.002","1705.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cu F12 N4 O6 -","- C28 H34 Cu F12 N4 O6 -","- C56 H68 Cu2 F24 N8 O12 -","2","1","","Matvey V. Fedin; Sergey L. Veber; Ksenia Yu. Maryunina; Galina V. Romanenko; Elizaveta A. Suturina; Nina P. Gritsan; Renad Z. Sagdeev; Victor I. Ovcharenko; Elena G. Bagryanskaya","Intercluster Exchange Pathways in Polymer-Chain Molecular Magnets Cu(hfac)2LR Unveiled by Electron Paramagnetic Resonance","Journal of the American Chemical Society","2010","132","","13886","13891","10.1021/ja105862w","","","0.71073","MoKα","","0.0412","0.0378","","","0.0987","0.1014","","","","","","1.034","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103161","10.0757","0.0018","13.044","0.002","13.736","0.003","99.469","0.003","103.364","0.002","105.094","0.002","1646.6","0.5","60","2","60","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Matvey V. Fedin; Sergey L. Veber; Ksenia Yu. Maryunina; Galina V. Romanenko; Elizaveta A. Suturina; Nina P. Gritsan; Renad Z. Sagdeev; Victor I. Ovcharenko; Elena G. Bagryanskaya","Intercluster Exchange Pathways in Polymer-Chain Molecular Magnets Cu(hfac)2LR Unveiled by Electron Paramagnetic Resonance","Journal of the American Chemical Society","2010","132","","13886","13891","10.1021/ja105862w","","","0.71073","MoKα","","0.0508","0.0422","","","0.102","0.1061","","","","","","1.057","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103162","29.726","0.003","9.5736","0.0011","24.757","0.003","90","","125.289","0.001","90","","5750.9","1.1","50","2","50","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cu F12 N4 O6 -","- C23 H23 Cu F12 N4 O6 -","- C184 H184 Cu8 F96 N32 O48 -","8","1","","Matvey V. Fedin; Sergey L. Veber; Ksenia Yu. Maryunina; Galina V. Romanenko; Elizaveta A. Suturina; Nina P. Gritsan; Renad Z. Sagdeev; Victor I. Ovcharenko; Elena G. Bagryanskaya","Intercluster Exchange Pathways in Polymer-Chain Molecular Magnets Cu(hfac)2LR Unveiled by Electron Paramagnetic Resonance","Journal of the American Chemical Society","2010","132","","13886","13891","10.1021/ja105862w","","","0.71073","MoKα","","0.0485","0.0407","","","0.0982","0.1012","","","","","","1.241","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103163","7.52136","0.00006","14.49051","0.00013","39.6415","0.0003","90","","90","","90","","4320.46","0.06","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H26 O4 -","- C28 H26 O4 -","- C224 H208 O32 -","8","1","","Jian He; Jason L. Crase; Shriya H. Wadumethrige; Khushabu Thakur; Lin Dai; Shouzhong Zou; Rajendra Rathore; C. Scott Hartley","ortho-Phenylenes: Unusual Conjugated Oligomers with a Surprisingly Long Effective Conjugation Length","Journal of the American Chemical Society","2010","132","","13848","13857","10.1021/ja106050s","","","1.5418","CuKα","","0.0362","0.0341","","","0.0869","0.0886","","","","","","1.025","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103164","9.3709","0.0002","12.4562","0.0002","15.7073","0.0003","77.5803","0.0017","82.0708","0.0017","81.3866","0.0017","1759.7","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H41 N O6 -","- C44 H41 N O6 -","- C88 H82 N2 O12 -","2","1","","Jian He; Jason L. Crase; Shriya H. Wadumethrige; Khushabu Thakur; Lin Dai; Shouzhong Zou; Rajendra Rathore; C. Scott Hartley","ortho-Phenylenes: Unusual Conjugated Oligomers with a Surprisingly Long Effective Conjugation Length","Journal of the American Chemical Society","2010","132","","13848","13857","10.1021/ja106050s","","","1.5418","CuKα","","0.0377","0.0338","","","0.0874","0.0898","","","","","","1.053","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103165","6.5667","0.0006","15.2297","0.0014","18.5936","0.0018","90","","90","","90","","1859.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 O P S -","- C19 H25 O P S -","- C76 H100 O4 P4 S4 -","4","1","","Jonathan J. Gammon; Viktoria H. Gessner; Greg R. Barker; Johan Granander; Adrian C. Whitwood; Carsten Strohmann; Peter O'Brien; Brian Kelly","Synthesis of P-Stereogenic Compounds via Kinetic Deprotonation and Dynamic Thermodynamic Resolution of Phosphine Sulfides: Opposite Sense of Induction Using (-)-Sparteine","Journal of the American Chemical Society","2010","132","","13922","13927","10.1021/ja1060966","","","0.71073","MoKα","","0.0374","0.035","","","0.0918","0.094","","","","","","1.066","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103166","11.5593","0.0008","11.6886","0.0008","33.86","0.002","90","","90","","90","","4574.9","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H40 Li N2 P S -","- C21 H40 Li N2 P S -","- C168 H320 Li8 N16 P8 S8 -","8","2","","Jonathan J. Gammon; Viktoria H. Gessner; Greg R. Barker; Johan Granander; Adrian C. Whitwood; Carsten Strohmann; Peter O'Brien; Brian Kelly","Synthesis of P-Stereogenic Compounds via Kinetic Deprotonation and Dynamic Thermodynamic Resolution of Phosphine Sulfides: Opposite Sense of Induction Using (-)-Sparteine","Journal of the American Chemical Society","2010","132","","13922","13927","10.1021/ja1060966","","","0.71073","MoKα","","0.0533","0.0469","","","0.1118","0.1187","","","","","","1.065","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103167","6.2989","0.0003","10.875","0.0005","20.2407","0.001","90","","93.892","0.001","90","","1383.3","0.11","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(RP,RC)-1-(t-Butylmethylphosphinothioyl)-3,3-dimethylbutan-2-ol","","- C11 H25 O P S -","- C11 H25 O P S -","- C44 H100 O4 P4 S4 -","4","2","","Jonathan J. Gammon; Viktoria H. Gessner; Greg R. Barker; Johan Granander; Adrian C. Whitwood; Carsten Strohmann; Peter O'Brien; Brian Kelly","Synthesis of P-Stereogenic Compounds via Kinetic Deprotonation and Dynamic Thermodynamic Resolution of Phosphine Sulfides: Opposite Sense of Induction Using (-)-Sparteine","Journal of the American Chemical Society","2010","132","","13922","13927","10.1021/ja1060966","","x-ray","0.71073","MoKα","","0.0292","0.0276","","","0.0663","0.067","","","","","","1.03","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103168","10.5593","0.0002","18.815","0.0004","22.6797","0.0005","90","","90","","90","","4505.85","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H65 Cl3 N4 O7 -","- C39 H65 Cl3 N4 O7 -","- C156 H260 Cl12 N16 O28 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of 12-Helical Secondary Structure in β-Peptides Containing Side Chain Groups","Journal of the American Chemical Society","2010","132","","13879","13885","10.1021/ja1062532","","","0.71073","Mo-Kα","","0.042","0.0348","","","0.0869","0.0944","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103169","9.491","0.003","9.624","0.003","11.899","0.004","94.225","0.005","93.287","0.005","112.31","0.005","998.5","0.6","105","2","105","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H60 N4 O7 -","- C40 H60 N4 O7 -","- C40 H60 N4 O7 -","1","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of 12-Helical Secondary Structure in β-Peptides Containing Side Chain Groups","Journal of the American Chemical Society","2010","132","","13879","13885","10.1021/ja1062532","","","0.71073","Mo-Kα","","0.065","0.0513","","","0.1215","0.1294","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103170","10.446","0.002","19.955","0.004","12.161","0.002","90","","95.02","0.003","90","","2525.2","0.8","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H79 N5 O9 -","- C50 H79 N5 O9 -","- C100 H158 N10 O18 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of 12-Helical Secondary Structure in β-Peptides Containing Side Chain Groups","Journal of the American Chemical Society","2010","132","","13879","13885","10.1021/ja1062532","","","0.71073","Mo-Kα","","0.0841","0.0623","","","0.1509","0.1627","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103171","10.6925","0.0013","25.843","0.003","30.397","0.004","90","","90","","90","","8399.5","1.8","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H104 N8 O11 -","- C68 H104 N8 O11 -","- C272 H416 N32 O44 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of 12-Helical Secondary Structure in β-Peptides Containing Side Chain Groups","Journal of the American Chemical Society","2010","132","","13879","13885","10.1021/ja1062532","","","0.71073","Mo-Kα","","0.1079","0.0993","","","0.2633","0.2706","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103172","9.4582","0.0001","15.6589","0.0003","23.444","0.0004","105.277","0.001","97.885","0.001","94.084","0.001","3296.8","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C62 H94 Br N7 O12 -","- C62 H94 Br N7 O12 -","- C124 H188 Br2 N14 O24 -","2","2","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of 12-Helical Secondary Structure in β-Peptides Containing Side Chain Groups","Journal of the American Chemical Society","2010","132","","13879","13885","10.1021/ja1062532","","","1.54178","CuKα","","0.0704","0.0689","","","0.1916","0.194","","","","","","0.987","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103173","11.3031","0.0014","21.144","0.003","25.31","0.003","90","","90","","90","","6048.9","1.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C64.5 H99 K N4 Ni2 -","- C64.5 H99 K N4 Ni2 -","- C258 H396 K4 N16 Ni8 -","4","1","","Stefan Pfirrmann; Christian Limberg; Christian Herwig; Christina Knispel; Beatrice Braun; Eckhard Bill; Reinhard Stösser","A Reduced β-Diketiminato-Ligated Ni3H4 Unit Catalyzing H/D Exchange","Journal of the American Chemical Society","2010","132","","13684","13691","10.1021/ja106266v","","","0.71073","MoKα","","0.0859","0.0535","","","0.1206","0.1377","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103174","15.9902","0.0008","19.8449","0.0006","12.4857","0.0006","90","","124.252","0.003","90","","3274.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C64 H100 K2 N4 Ni3 -","- C64 H100 K2 N4 Ni3 -","- C128 H200 K4 N8 Ni6 -","2","0.25","","Stefan Pfirrmann; Christian Limberg; Christian Herwig; Christina Knispel; Beatrice Braun; Eckhard Bill; Reinhard Stösser","A Reduced β-Diketiminato-Ligated Ni3H4 Unit Catalyzing H/D Exchange","Journal of the American Chemical Society","2010","132","","13684","13691","10.1021/ja106266v","","","0.71073","MoKα","","0.0557","0.0361","","","0.0706","0.0754","","","","","","0.993","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103175","14.0286","0.0008","21.2222","0.0011","20.5735","0.0012","90","","93.221","0.005","90","","6115.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H96 K N4 Ni3 O -","- C62 H96 K N4 Ni3 O -","- C248 H384 K4 N16 Ni12 O4 -","4","1","","Stefan Pfirrmann; Christian Limberg; Christian Herwig; Christina Knispel; Beatrice Braun; Eckhard Bill; Reinhard Stösser","A Reduced β-Diketiminato-Ligated Ni3H4 Unit Catalyzing H/D Exchange","Journal of the American Chemical Society","2010","132","","13684","13691","10.1021/ja106266v","","","0.71073","MoKα","","0.0364","0.0288","","","0.0647","0.0674","","","","","","1.033","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103176","14.1224","0.0014","21.321","0.002","25.094","0.002","90","","123.442","0.004","90","","6305","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H96 K2 N4 Ni2 O2 -","- C66 H96 K2 N4 Ni2 O2 -","- C264 H384 K8 N16 Ni8 O8 -","4","1","","Stefan Pfirrmann; Christian Limberg; Christian Herwig; Christina Knispel; Beatrice Braun; Eckhard Bill; Reinhard Stösser","A Reduced β-Diketiminato-Ligated Ni3H4 Unit Catalyzing H/D Exchange","Journal of the American Chemical Society","2010","132","","13684","13691","10.1021/ja106266v","","","0.71073","MoKα","","0.1012","0.0597","","","0.102","0.1167","","","","","","1.056","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103177","23.7702","0.0005","12.1352","0.0006","23.323","0.0011","90","","116.306","0.002","90","","6030.9","0.4","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H16 B F15 -","- C34.5 H16 B F15 -","- C276 H128 B8 F120 -","8","1","","Chao Chen; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Carbon-Carbon Bond Activation by 1,1-Carboboration of Internal Alkynes","Journal of the American Chemical Society","2010","132","","13594","13595","10.1021/ja106365j","","","1.54178","CuKα","","0.0533","0.0442","","","0.1128","0.1204","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103178","12.2855","0.0005","12.4303","0.0006","18.0373","0.0008","70.022","0.004","70.262","0.004","69.078","0.002","2343.94","0.19","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H37 B F15 P -","- C53 H37 B F15 P -","- C106 H74 B2 F30 P2 -","2","1","","Chao Chen; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Carbon-Carbon Bond Activation by 1,1-Carboboration of Internal Alkynes","Journal of the American Chemical Society","2010","132","","13594","13595","10.1021/ja106365j","","","1.54178","CuKα","","0.0878","0.0583","","","0.1392","0.1598","","","","","","1.046","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103179","31.2753","0.001","5.7604","0.0002","20.1748","0.0011","90","","103.369","0.004","90","","3536.2","0.3","223","2","223","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 -","- C23 H22 -","- C184 H176 -","8","1","","Chao Chen; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Carbon-Carbon Bond Activation by 1,1-Carboboration of Internal Alkynes","Journal of the American Chemical Society","2010","132","","13594","13595","10.1021/ja106365j","","","1.54178","CuKα","","0.0548","0.0465","","","0.1208","0.1279","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103180","15.6115","0.0007","15.652","0.0006","23.8733","0.0011","86.806","0.001","78.394","0.001","69.151","0.001","5339.2","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H142 O43 Ti14 -","- C66 H142 O43 Ti14 -","- C132 H284 O86 Ti28 -","2","1","","Jason B. Benedict; Renata Freindorf; Elzbieta Trzop; Jeffrey Cogswell; Philip Coppens","Large Polyoxotitanate Clusters: Well-Defined Models for Pure-Phase TiO2Structures and Surfaces","Journal of the American Chemical Society","2010","132","","13669","13671","10.1021/ja106436y","","","0.71073","MoKα","","0.1389","0.0717","","","0.183","0.2326","","","","","","1.004","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103181","12.6425","0.0007","18.9568","0.001","29.532","0.0017","76.349","0.002","82.7","0.002","87.053","0.002","6820.3","0.7","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H178 O61 Ti18 -","- C84 H178 O61 Ti18 -","- C168 H356 O122 Ti36 -","2","1","","Jason B. Benedict; Renata Freindorf; Elzbieta Trzop; Jeffrey Cogswell; Philip Coppens","Large Polyoxotitanate Clusters: Well-Defined Models for Pure-Phase TiO2Structures and Surfaces","Journal of the American Chemical Society","2010","132","","13669","13671","10.1021/ja106436y","","","0.71073","MoKα","","0.0689","0.0398","","","0.0963","0.1127","","","","","","1.028","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103182","29.7286","0.0008","29.7286","0.0008","126.826","0.003","90","","90","","120","","97071","4","90","2","90","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C111 H224 O84 Ti28 -","- C111 H224 O84 Ti28 -","- C1998 H4032 O1512 Ti504 -","18","0.5","","Jason B. Benedict; Renata Freindorf; Elzbieta Trzop; Jeffrey Cogswell; Philip Coppens","Large Polyoxotitanate Clusters: Well-Defined Models for Pure-Phase TiO2Structures and Surfaces","Journal of the American Chemical Society","2010","132","","13669","13671","10.1021/ja106436y","","","0.71073","MoKα","","0.0684","0.0538","","","0.1757","0.1989","","","","","","1.14","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103183","10.28","0.002","10.274","0.002","10.758","0.002","90","","96.23","0.03","90","","1129.5","0.4","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O6 -","- C25 H27 N O6 -","- C50 H54 N2 O12 -","2","1","","Lian-Zhu Liu; Jin-Chun Han; Guo-Zong Yue; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A","Journal of the American Chemical Society","2010","132","","13608","13609","10.1021/ja106585n","","","0.71073","MoKα","","0.0618","0.0537","","","0.1426","0.1486","","","","","","1.08","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103184","13.408","0.003","8.3858","0.0017","15.601","0.003","90","","107.93","0.03","90","","1668.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","James P. Lajiness; Dale L. Boger","Synthesis and Characterization of a Cyclobutane Duocarmycin Derivative Incorporating the 1,2,10,11-Tetrahydro-9H-cyclobuta[c]benzo[e]indol-4-one (CbBI) Alkylation Subunit","Journal of the American Chemical Society","2010","132","","13936","13940","10.1021/ja106986f","","","0.71073","MoKα","","0.1011","0.0708","","","0.1746","0.1918","","","","","","1.086","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103185","24.6055","0.0017","33.271","0.002","33.271","0.002","90","","90","","90","","27237","3","253","2","253","2","","","","","","","","4","I m m m","-I 2 2","71","UMCM-151","","","- C42 H22 Cu3 O15 -","- C42 H22 Cu3 O15 -","- C336 H176 Cu24 O120 -","8","0.5","","Jennifer K. Schnobrich; Olivier Lebel; Katie A. Cychosz; Anne Dailly; Antek G. Wong-Foy; Adam J. Matzger","Linker-Directed Vertex Desymmetrization for the Production of Coordination Polymers with High Porosity","Journal of the American Chemical Society","2010","132","","13941","13948","10.1021/ja107423k","","","1.54178","CuKα","","0.1744","0.1327","","","0.3493","0.3785","","","","","","1.14","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103186","26.3043","0.0011","26.3043","0.0011","26.5885","0.0019","90","","90","","120","","15932.3","1.5","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","UMCM-152","","","- C14 H7 Cu O5 -","- C14 H7 Cu O5 -","- C252 H126 Cu18 O90 -","18","1","","Jennifer K. Schnobrich; Olivier Lebel; Katie A. Cychosz; Anne Dailly; Antek G. Wong-Foy; Adam J. Matzger","Linker-Directed Vertex Desymmetrization for the Production of Coordination Polymers with High Porosity","Journal of the American Chemical Society","2010","132","","13941","13948","10.1021/ja107423k","","","1.54187","CuKα","","0.0681","0.0555","","","0.1404","0.1555","","","","","","1.053","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103187","21.7064","0.0007","29.0072","0.0011","43.7","0.003","90","","90","","90","","27515","2","150","2","150","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","UMCM-153","","","- C14 H7 Cu O5 -","- C14 H7 Cu O5 -","- C448 H224 Cu32 O160 -","32","1","","Jennifer K. Schnobrich; Olivier Lebel; Katie A. Cychosz; Anne Dailly; Antek G. Wong-Foy; Adam J. Matzger","Linker-Directed Vertex Desymmetrization for the Production of Coordination Polymers with High Porosity","Journal of the American Chemical Society","2010","132","","13941","13948","10.1021/ja107423k","","","1.54187","CuKα","","0.1064","0.0768","","","0.1949","0.2088","","","","","","0.988","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103188","11.8586","0.0002","30.771","0.0006","17.4516","0.0012","90","","90.983","0.006","90","","6367.2","0.5","95","2","95","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","UMCM-154","","","- C29 H13 O10 Zn2 -","- C29 H13 O10 Zn2 -","- C116 H52 O40 Zn8 -","4","0.5","","Jennifer K. Schnobrich; Olivier Lebel; Katie A. Cychosz; Anne Dailly; Antek G. Wong-Foy; Adam J. Matzger","Linker-Directed Vertex Desymmetrization for the Production of Coordination Polymers with High Porosity","Journal of the American Chemical Society","2010","132","","13941","13948","10.1021/ja107423k","","","1.54187","CuKα","","0.085","0.0724","","","0.2508","0.2802","","","","","","1.169","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103189","19.127","0.013","20.19","0.013","19.788","0.014","90","","93.402","0.023","90","","7628","9","123","2","123","2","","","","","","","","8","P 1 21 1","P 2yb","4","09124","","","- C82 H52 B Cu F24 N2 O P2 -","- C82 H52 B Cu F24 N2 O P2 -","- C328 H208 B4 Cu4 F96 N8 O4 P8 -","4","2","","Conor S. Smith; Charles W. Branham; Brian J. Marquardt; Kent R. Mann","Oxygen Gas Sensing by Luminescence Quenching in Crystals of Cu(xantphos)(phen)+ Complexes","Journal of the American Chemical Society","2010","132","","14079","14085","10.1021/ja103112m","","","0.71073","MoKα","","0.0949","0.0532","","","0.1183","0.1424","","","","","","1.006","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103190","11.086","0.0012","17.201","0.0018","19.803","0.002","76.694","0.002","73.782","0.002","88.21","0.002","3526.4","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C81 H52 B Cu F20 N2 O P2 -","- C81 H52 B Cu F20 N2 O P2 -","- C162 H104 B2 Cu2 F40 N4 O2 P4 -","2","1","","Conor S. Smith; Charles W. Branham; Brian J. Marquardt; Kent R. Mann","Oxygen Gas Sensing by Luminescence Quenching in Crystals of Cu(xantphos)(phen)+ Complexes","Journal of the American Chemical Society","2010","132","","14079","14085","10.1021/ja103112m","","","0.71069","MoKα","","0.0903","0.0455","","","0.1051","0.1279","","","","","","1.063","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103191","15.289","0.002","16.539","0.002","17.019","0.002","102.685","0.002","108.556","0.002","97.253","0.002","3889.7","0.8","123","2","123","2","","","","","","","","8","P -1","-P 1","2","08104","","","- C85 H56 B Cu F24 N2 O P2 -","- C85 H56 B Cu F24 N2 O P2 -","- C170 H112 B2 Cu2 F48 N4 O2 P4 -","2","1","","Conor S. Smith; Charles W. Branham; Brian J. Marquardt; Kent R. Mann","Oxygen Gas Sensing by Luminescence Quenching in Crystals of Cu(xantphos)(phen)+ Complexes","Journal of the American Chemical Society","2010","132","","14079","14085","10.1021/ja103112m","","","0.71073","MoKα","","0.0578","0.038","","","0.092","0.1052","","","","","","1.015","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103192","20.755","0.003","21.087","0.003","39.817","0.006","102.684","0.002","90.297","0.003","106.636","0.002","16246","4","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H64 B Cu F24 N2 O P2 -","- C89 H64 B Cu F24 N2 O P2 -","- C712 H512 B8 Cu8 F192 N16 O8 P16 -","8","4","","Conor S. Smith; Charles W. Branham; Brian J. Marquardt; Kent R. Mann","Oxygen Gas Sensing by Luminescence Quenching in Crystals of Cu(xantphos)(phen)+ Complexes","Journal of the American Chemical Society","2010","132","","14079","14085","10.1021/ja103112m","","","0.71073","MoKα","","0.1882","0.0925","","","0.2414","0.3005","","","","","","1.057","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103193","16.7605","0.0005","17.7508","0.0005","14.1762","0.0004","90","","117.053","0.002","90","","3756.1","0.2","193","2","193","2","","","","","","","chemical synthesis","7","C 1 2/c 1","-C 2yc","15","tr040","(Acetato){10-benzo[<i>h</i>]quinolinato)chloropalladium(III) Dimer . Iodobenzene . Dichloromethane Solvate","","- C37 H29 Cl4 I N2 O4 Pd2 -","- C36 H27 Cl2 I N2 O4 Pd2 -","- C144 H108 Cl8 I4 N8 O16 Pd8 -","4","0.5","","David C. Powers; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Tobias Ritter","Bimetallic Reductive Elimination from Dinuclear Pd(III) Complexes","Journal of the American Chemical Society","2010","132","","14092","14103","10.1021/ja1036644","","","0.71073","MoKα","","0.0491","0.0336","","","0.0761","0.0804","","","","","","1.075","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103194","10.0632","0.0002","11.2475","0.0002","13.923","0.0002","96.989","0.001","95.423","0.001","108.992","0.001","1463.85","0.05","193","2","193","2","","","","","","","chemical synthesis","6","P -1","-P 1","2","DCP2","Tris(μ~2~-acetato)-bis(benzo[<i>h</i>]quinolato)-(μ~2~-chloro)-tripalladium(II)","","- C32 H25 Cl N2 O6 Pd3 -","- C32 H25 Cl N2 O6 Pd3 -","- C64 H50 Cl2 N4 O12 Pd6 -","2","1","","David C. Powers; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Tobias Ritter","Bimetallic Reductive Elimination from Dinuclear Pd(III) Complexes","Journal of the American Chemical Society","2010","132","","14092","14103","10.1021/ja1036644","","","0.71073","MoKα","","0.0479","0.0369","","","0.0792","0.0834","","","","","","1.091","","","","has coordinates","194623","2020-10-21","18:00:00",""
"4103195","16.039","0.002","16.038","0.002","9.9156","0.0013","90","","90","","90","","2550.6","0.6","193","2","193","2","","","","","","","chemical synthesis","5","P m m n :2","-P 2ab 2a","59","DCP1","(Acetato)(10-benzo[h]quinolinato)palladium(II) dimer","","- C30 H22 N2 O4 Pd2 -","- C30 H22 N2 O4 Pd2 -","- C120 H88 N8 O16 Pd8 -","4","0.5","","David C. Powers; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Tobias Ritter","Bimetallic Reductive Elimination from Dinuclear Pd(III) Complexes","Journal of the American Chemical Society","2010","132","","14092","14103","10.1021/ja1036644","","","0.71073","MoKα","","0.0297","0.0282","","","0.0701","0.0713","","","","","","1.12","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103196","16.3668","0.0004","17.4864","0.0004","26.005","0.0006","90","","90","","90","","7442.5","0.3","193","2","193","2","","","","","","","chemical synthesis","6","P b c a","-P 2ac 2ab","61","DCP-IV-15","Bis(acetato)bis(μ~2~-acetato)-bis(10-benzo[<i>h</i>]quinolato)- dipalladium(III) bis(dichloromethane) solvate","","- C36 H32 Cl4 N2 O8 Pd2 -","- C36 H32 Cl4 N2 O8 Pd2 -","- C288 H256 Cl32 N16 O64 Pd16 -","8","1","","David C. Powers; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Tobias Ritter","Bimetallic Reductive Elimination from Dinuclear Pd(III) Complexes","Journal of the American Chemical Society","2010","132","","14092","14103","10.1021/ja1036644","","","0.71073","MoKα","","0.0866","0.0428","","","0.0819","0.0969","","","","","","1.005","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103197","14.089","0.005","7.999","0.003","15.361","0.005","90","","90","","90","","1731.2","1.1","110","2","110","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C4.5 H9 B0.5 F2 Fe N2.5 O1.5 S -","- C4.5 H9 B0.5 F2 Fe N2.5 O1.5 S -","- C36 H72 B4 F16 Fe8 N20 O12 S8 -","8","2","","Chung-Hung Hsieh; Marcetta Y. Darensbourg","A {Fe(NO)3}10 Trinitrosyliron Complex Stabilized by an N-Heterocyclic Carbene and the Cationic and Neutral {Fe(NO)2}9/10 Products of Its NO Release","Journal of the American Chemical Society","2010","132","","14118","14125","10.1021/ja104135x","","","0.71073","MoKα","","0.0275","0.0245","","","0.0529","0.0541","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103198","8.252","0.004","10.218","0.005","15.767","0.008","104.936","0.006","95.022","0.006","101.285","0.006","1246.3","1.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H25 B F4 Fe N5 O3.5 -","- C21 H25 B F4 Fe N5 O3.5 -","- C42 H50 B2 F8 Fe2 N10 O7 -","2","1","","Chung-Hung Hsieh; Marcetta Y. Darensbourg","A {Fe(NO)3}10 Trinitrosyliron Complex Stabilized by an N-Heterocyclic Carbene and the Cationic and Neutral {Fe(NO)2}9/10 Products of Its NO Release","Journal of the American Chemical Society","2010","132","","14118","14125","10.1021/ja104135x","","","0.71073","MoKα","","0.0927","0.0701","","","0.1632","0.1793","","","","","","1.001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103199","7.61","0.005","8.319","0.005","19.33","0.012","78.557","0.011","87.345","0.01","69.123","0.01","1120.3","1.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Fe N4 O3 -","- C22 H24 Fe N4 O3 -","- C44 H48 Fe2 N8 O6 -","2","1","","Chung-Hung Hsieh; Marcetta Y. Darensbourg","A {Fe(NO)3}10 Trinitrosyliron Complex Stabilized by an N-Heterocyclic Carbene and the Cationic and Neutral {Fe(NO)2}9/10 Products of Its NO Release","Journal of the American Chemical Society","2010","132","","14118","14125","10.1021/ja104135x","","","0.71073","MoKα","","0.0723","0.0466","","","0.0978","0.1131","","","","","","1.036","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103200","16.344","0.012","8.202","0.006","22.232","0.017","90","","93.201","0.009","90","","2976","4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Fe N4 O3.5 S -","- C27 H32 Fe N4 O3.5 S -","- C108 H128 Fe4 N16 O14 S4 -","4","1","","Chung-Hung Hsieh; Marcetta Y. Darensbourg","A {Fe(NO)3}10 Trinitrosyliron Complex Stabilized by an N-Heterocyclic Carbene and the Cationic and Neutral {Fe(NO)2}9/10 Products of Its NO Release","Journal of the American Chemical Society","2010","132","","14118","14125","10.1021/ja104135x","","","0.71073","MoKα","","0.0838","0.0572","","","0.1552","0.1709","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103201","18.745","0.002","16.1454","0.0018","16.911","0.002","90","","94.181","0.004","90","","5104.4","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[SiP(Ph)3]Pt-CH3","","","- C63 H61 O2 P3 Pt Si -","- C63 H61 O2 P3 Pt Si -","- C252 H244 O8 P12 Pt4 Si4 -","4","1","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0844","0.0506","","","0.1189","0.1457","","","","","","1.091","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103202","11.1768","0.0012","13.3695","0.0014","15.7387","0.0016","87.699","0.002","84.961","0.002","86.359","0.002","2336.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[SiP(Ph)3]Pt-Cl","","","- C55 H44 Cl3 P3 Pt Si -","- C55 H44 Cl3 P3 Pt Si -","- C110 H88 Cl6 P6 Pt2 Si2 -","2","1","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0489","0.0422","","","0.104","0.1081","","","","","","1.082","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103203","18.572","0.003","16.157","0.003","16.968","0.003","90","","96.473","0.003","90","","5059.1","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[SiP(Ph)3]Pt-H","","","- C62 H59 O2 P3 Pt Si -","- C62 H59 O2 P3 Pt Si -","- C248 H236 O8 P12 Pt4 Si4 -","4","1","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0776","0.0435","","","0.0872","0.1036","","","","","","1.025","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103204","13.1515","0.0015","17.621","0.002","19.654","0.002","65.549","0.002","77.723","0.002","86.737","0.002","4048.9","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","{[SiP(Ph)3]Pt-OEt2}{BArF}","","","- C90 H64 B F24 O P3 Pt Si -","- C90 H64 B F24 O P3 Pt Si -","- C180 H128 B2 F48 O2 P6 Pt2 Si2 -","2","1","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0663","0.0463","","","0.1053","0.1152","","","","","","1.037","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103205","12.6057","0.0011","17.5913","0.0016","20.2306","0.0018","84.459","0.002","84.435","0.002","86.795","0.002","4439.2","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","{[SiP(Ph)3]Pt-Cl2CH2}{BArF}","","","- C45 H31 B0.5 Cl4 F12 P1.5 Pt0.5 Si0.5 -","- C45 H31 B0.5 Cl4 F12 P1.5 Pt0.5 Si0.5 -","- C180 H124 B2 Cl16 F48 P6 Pt2 Si2 -","4","2","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.084","0.0635","","","0.16","0.1736","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103206","13.2678","0.0011","17.6132","0.0015","18.7753","0.0016","84.415","0.002","72.421","0.002","86.39","0.001","4160.2","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","{[SiP(Ph)3]Pt-tol}{BArF}","","","- C46.5 H29.5 B0.5 F12 P1.5 Pt0.5 Si0.5 -","- C46.5 H31 B0.5 F12 P1.5 Pt0.5 Si0.5 -","- C186 H124 B2 F48 P6 Pt2 Si2 -","4","2","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0448","0.0351","","","0.0745","0.0795","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103207","11.088","0.002","11.156","0.002","35.058","0.007","89.95","0.03","88.84","0.03","61.63","0.03","3814.8","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[SiP(iPr)3]Pt-H","","","- C38.5 H61 P3 Pt Si -","- C38.5 H61 P3 Pt Si -","- C154 H244 P12 Pt4 Si4 -","4","2","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0407","0.0307","","","0.0637","0.0674","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103208","12.8824","0.001","38.101","0.003","14.3445","0.0011","90","","92.557","0.001","90","","7033.7","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{[SiP(iPr)3]Pt}{BArF}","","","- C68 H66 B F24 P3 Pt Si -","- C68 H66 B F24 P3 Pt Si -","- C272 H264 B4 F96 P12 Pt4 Si4 -","4","1","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0485","0.0358","","","0.072","0.0767","","","","","","1.094","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103209","12.8547","0.0012","14.9356","0.0013","38.282","0.004","90","","96.574","0.002","90","","7301.5","1.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","{[SiP(iPr)3]Pt-NCMe}{BArF}","","","- C70 H69 B F24 N P3 Pt Si -","- C70 H69 B F24 N P3 Pt Si -","- C280 H276 B4 F96 N4 P12 Pt4 Si4 -","4","1","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0474","0.0341","","","0.0706","0.0762","","","","","","1.06","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103210","10.1305","0.0007","24.594","0.002","15.8544","0.0013","90","","91.071","0.002","90","","3949.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[SiP(iPr)3]Pd-Cl","","","- C37 H56 Cl3 P3 Pd Si -","- C37 H56 Cl3 P3 Pd Si -","- C148 H224 Cl12 P12 Pd4 Si4 -","4","1","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.045","0.0333","","","0.0751","0.082","","","","","","1.052","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103211","12.8728","0.001","38.131","0.003","14.4024","0.0011","90","","92.337","0.001","90","","7063.6","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{[SiP(iPr)3]Pd}{BArF}","","","- C68 H66 B F24 P3 Pd Si -","- C68 H66 B F24 P3 Pd Si -","- C272 H264 B4 F96 P12 Pd4 Si4 -","4","1","","Charlene Tsay; Neal P. Mankad; Jonas C. Peters","Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes","Journal of the American Chemical Society","2010","132","","13975","13977","10.1021/ja105284p","","","0.71073","MoKα","","0.0729","0.0483","","","0.1419","0.1603","","","","","","1.067","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103212","37.113","0.006","8.4961","0.0015","7.3282","0.0013","90","","95.987","0.003","90","","2298.1","0.7","93","2","93","2","","","","","","","","4","C 1 2 1","C 2y","5","","1,2-Bis(2-methyl-5-(1-naphthyl)-3-thienyl)perfluorocyclopentene and perfluoronaphthalene","","- C55 H22 F22 S2 -","- C55 H22 F22 S2 -","- C110 H44 F44 S4 -","2","0.5","","Masakazu Morimoto; Masahiro Irie","A Diarylethene Cocrystal that Converts Light into Mechanical Work","Journal of the American Chemical Society","2010","132","","14172","14178","10.1021/ja105356w","","","0.71073","MoKα","","0.0551","0.0528","","","0.1413","0.1464","","","","","","1.069","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103213","37.055","0.007","8.5204","0.0017","7.3284","0.0014","90","","95.687","0.003","90","","2302.4","0.8","93","2","93","2","","","","","","","","4","C 1 2 1","C 2y","5","","1,2-Bis(2-methyl-5-(1-naphthyl)-3-thienyl)perfluorocyclopentene and perfluoronaphthalene","","- C55 H22 F22 S2 -","- C55 H22 F22 S2 -","- C110 H44 F44 S4 -","2","0.5","","Masakazu Morimoto; Masahiro Irie","A Diarylethene Cocrystal that Converts Light into Mechanical Work","Journal of the American Chemical Society","2010","132","","14172","14178","10.1021/ja105356w","","","0.71073","MoKα","","0.0784","0.0759","","","0.1957","0.1998","","","","","","1.114","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103214","9.6333","0.0015","11.8268","0.0018","24.376","0.004","93.111","0.002","91.991","0.002","90.387","0.002","2771.3","0.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","1,2-dimethyl-8,8,9,9,10,10-hexafluoro-4,14-di(1-naphthyl)-3,15-dithiatetracyclo-[10.3.0.0^2,6^.0^7,11^]pentadeca-4,6(7),11(12),13-tetraene","","- C35 H22 F6 S2 -","- C35 H22 F6 S2 -","- C140 H88 F24 S8 -","4","2","","Masakazu Morimoto; Masahiro Irie","A Diarylethene Cocrystal that Converts Light into Mechanical Work","Journal of the American Chemical Society","2010","132","","14172","14178","10.1021/ja105356w","","","0.71073","MoKα","","0.0823","0.0773","","","0.2097","0.2122","","","","","","1.14","","","","has coordinates","211399","2020-10-21","18:00:00",""
"4103215","37.27","0.003","7.0743","0.0006","18.1981","0.0017","90","","93.537","0.002","90","","4789","0.7","143","1","143","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 N O3 S -","- C26 H31 N O3 S -","- C208 H248 N8 O24 S8 -","8","1","","Petr Valenta; Patrick J. Carroll; Patrick J. Walsh","Stereoselective Synthesis of β-Hydroxy Enamines, Aminocyclopropanes, and 1,3-Amino Alcohols via Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14179","14190","10.1021/ja105435y","","","0.71073","MoKα","","0.0578","0.0455","","","0.1111","0.121","","","","","","1.078","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103216","24.2849","0.0011","8.0847","0.0004","24.1022","0.0011","90","","90","","90","","4732.1","0.4","163","1","163","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H35 N O3 S -","- C25 H35 N O3 S -","- C200 H280 N8 O24 S8 -","8","1","","Petr Valenta; Patrick J. Carroll; Patrick J. Walsh","Stereoselective Synthesis of β-Hydroxy Enamines, Aminocyclopropanes, and 1,3-Amino Alcohols via Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14179","14190","10.1021/ja105435y","","","0.71073","MoKα","","0.0848","0.0529","","","0.1263","0.1428","","","","","","1.032","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103217","17.8473","0.0019","11.6887","0.0013","24.162","0.003","90","","90.76","0.006","90","","5040","1","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H33 N O3 S -","- C29 H33 N O3 S -","- C232 H264 N8 O24 S8 -","8","4","","Petr Valenta; Patrick J. Carroll; Patrick J. Walsh","Stereoselective Synthesis of β-Hydroxy Enamines, Aminocyclopropanes, and 1,3-Amino Alcohols via Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14179","14190","10.1021/ja105435y","","","0.71073","MoKα","","0.0786","0.055","","","0.1304","0.1426","","","","","","1.099","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103218","16.7153","0.0015","6.1216","0.0007","23.543","0.002","90","","101.35","0.006","90","","2361.9","0.4","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N O3 S -","- C27 H31 N O3 S -","- C108 H124 N4 O12 S4 -","4","1","","Petr Valenta; Patrick J. Carroll; Patrick J. Walsh","Stereoselective Synthesis of β-Hydroxy Enamines, Aminocyclopropanes, and 1,3-Amino Alcohols via Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14179","14190","10.1021/ja105435y","","","0.71073","MoKα","","0.0693","0.042","","","0.0944","0.1055","","","","","","1.022","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103219","7.4514","0.0002","11.2179","0.0003","22.8043","0.0006","90","","90","","90","","1906.19","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Br N O4 -","- C19 H26 Br N O4 -","- C76 H104 Br4 N4 O16 -","4","1","","Željko Skoko; Sharona Zamir; Panče Naumov; Joel Bernstein","The Thermosalient Phenomenon. ""Jumping Crystals"" and Crystal Chemistry of the Anticholinergic Agent Oxitropium Bromide","Journal of the American Chemical Society","2010","132","","14191","14202","10.1021/ja105508b","","","0.71073","MoKα","","0.0881","0.0461","","","0.1019","0.1246","","","","","","1.047","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103220","7.3927","0.0002","10.1512","0.0004","24.6291","0.0009","90","","90","","90","","1848.29","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Br N O4 -","- C19 H26 Br N O4 -","- C76 H104 Br4 N4 O16 -","4","1","","Željko Skoko; Sharona Zamir; Panče Naumov; Joel Bernstein","The Thermosalient Phenomenon. ""Jumping Crystals"" and Crystal Chemistry of the Anticholinergic Agent Oxitropium Bromide","Journal of the American Chemical Society","2010","132","","14191","14202","10.1021/ja105508b","","","0.71073","MoKα","","0.0517","0.0321","","","0.0695","0.0764","","","","","","1.019","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103221","7.4709","0.0007","11.2277","0.0011","22.7979","0.0018","90","0.005","90","0.005","90","0.005","1912.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Br N O4 -","- C19 H26 Br N O4 -","- C76 H104 Br4 N4 O16 -","4","1","","Željko Skoko; Sharona Zamir; Panče Naumov; Joel Bernstein","The Thermosalient Phenomenon. ""Jumping Crystals"" and Crystal Chemistry of the Anticholinergic Agent Oxitropium Bromide","Journal of the American Chemical Society","2010","132","","14191","14202","10.1021/ja105508b","","","0.71073","MoKα","","0.1348","0.0528","","","0.1055","0.1329","","","","","","0.968","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103222","19.7588","0.0009","7.783","0.0004","20.3595","0.001","90","","90","","90","","3130.9","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H37 Br O6 -","- C36 H37 Br O6 -","- C144 H148 Br4 O24 -","4","1","","Qiang Zhang; Branko Mitasev; Ji Qi; John A. Porco","Total Synthesis of Plukenetione A","Journal of the American Chemical Society","2010","132","","14212","14215","10.1021/ja105784s","","","0.71073","MoKα","","0.0677","0.0363","","","0.0699","0.0791","","","","","","1.02","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103223","16.1664","0.0006","22.2456","0.0009","8.7124","0.0004","90","","91.709","0.002","90","","3131.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Br O6 -","- C36 H37 Br O6 -","- C144 H148 Br4 O24 -","4","1","","Qiang Zhang; Branko Mitasev; Ji Qi; John A. Porco","Total Synthesis of Plukenetione A","Journal of the American Chemical Society","2010","132","","14212","14215","10.1021/ja105784s","","","0.71073","MoKα","","0.0734","0.0414","","","0.0968","0.1122","","","","","","1.007","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103224","8.3166","0.0008","10.244","0.001","18.5583","0.0017","93.377","0.003","93.939","0.004","93.022","0.004","1572","0.3","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C32 H42 B N8 Nb -","- C32 H42 B N8 Nb -","- C64 H84 B2 N16 Nb2 -","2","1","","Cédric Boulho; Pascal Oulié; Laure Vendier; Michel Etienne; Véronique Pimienta; Abel Locati; Fabienne Bessac; Feliu Maseras; Dimitrios A. Pantazis; John E. McGrady","C-H Bond Activation of Benzene by Unsaturated η2-Cyclopropene and η2-Benzyne Complexes of Niobium","Journal of the American Chemical Society","2010","132","","14239","14250","10.1021/ja1061505","","","0.71073","MoKα","","0.0982","0.0624","","","0.1344","0.1494","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103225","31.593","0.003","10.0459","0.0006","27.465","0.002","90","","113.036","0.01","90","","8021.8","1.2","180","2","180","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 B N6 Nb O2 -","- C28 H44 B N6 Nb O2 -","- C224 H352 B8 N48 Nb8 O16 -","8","1","","Cédric Boulho; Pascal Oulié; Laure Vendier; Michel Etienne; Véronique Pimienta; Abel Locati; Fabienne Bessac; Feliu Maseras; Dimitrios A. Pantazis; John E. McGrady","C-H Bond Activation of Benzene by Unsaturated η2-Cyclopropene and η2-Benzyne Complexes of Niobium","Journal of the American Chemical Society","2010","132","","14239","14250","10.1021/ja1061505","","","0.71073","MoKα","","0.0846","0.0505","","","0.1319","0.1455","","","","","","0.867","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103226","8.2075","0.0005","15.1721","0.0009","10.3794","0.0006","90","","93.729","0.005","90","","1289.76","0.13","180","2","180","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C26 H32 B N6 Nb O -","- C26 H32 B N6 Nb O -","- C52 H64 B2 N12 Nb2 O2 -","2","1","","Cédric Boulho; Pascal Oulié; Laure Vendier; Michel Etienne; Véronique Pimienta; Abel Locati; Fabienne Bessac; Feliu Maseras; Dimitrios A. Pantazis; John E. McGrady","C-H Bond Activation of Benzene by Unsaturated η2-Cyclopropene and η2-Benzyne Complexes of Niobium","Journal of the American Chemical Society","2010","132","","14239","14250","10.1021/ja1061505","","","0.71073","MoKα","","0.0443","0.0302","","","0.0508","0.0534","","","","","","0.927","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103227","11.3446","0.0005","35.9037","0.001","15.6188","0.0007","90","","109.927","0.005","90","","5980.8","0.5","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 Cl6 O12 Ru2 -","- C56 H64 Cl6 O12 Ru2 -","- C224 H256 Cl24 O48 Ru8 -","4","1","","Sebastian Mirtschin; Adam Slabon-Turski; Rosario Scopelliti; Aldrik H. Velders; Kay Severin","A Coordination Cage with an Adaptable Cavity Size","Journal of the American Chemical Society","2010","132","","14004","14005","10.1021/ja1063789","","","0.71073","MoKα","","0.0656","0.0569","","","0.144","0.1485","","","","","","1.105","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103228","28.744","0.009","32.301","0.009","31.287","0.008","90","","107.183","0.019","90","","27752","14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C240 H204 Cl36 N12 O36 Ru6 -","- C240 H204 Cl36 N12 O36 Ru6 -","- C960 H816 Cl144 N48 O144 Ru24 -","4","1","","Sebastian Mirtschin; Adam Slabon-Turski; Rosario Scopelliti; Aldrik H. Velders; Kay Severin","A Coordination Cage with an Adaptable Cavity Size","Journal of the American Chemical Society","2010","132","","14004","14005","10.1021/ja1063789","","","0.71073","MoKα","","0.286","0.1637","","","0.3893","0.4662","","","","","","1.424","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103229","42.321","0.004","27.694","0.003","22.302","0.003","90","","93.769","0.011","90","","26082","5","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C240 H208 Cl20 N12 O36 Ru6 -","- C240 H208 Cl20 N12 O36 Ru6 -","- C960 H832 Cl80 N48 O144 Ru24 -","4","0.5","","Sebastian Mirtschin; Adam Slabon-Turski; Rosario Scopelliti; Aldrik H. Velders; Kay Severin","A Coordination Cage with an Adaptable Cavity Size","Journal of the American Chemical Society","2010","132","","14004","14005","10.1021/ja1063789","","","0.71073","MoKα","","0.2705","0.1589","","","0.3981","0.4461","","","","","","1.145","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103230","11.3147","0.0006","14.0739","0.0008","12.8472","0.0007","90","","90","0.005","90","","2045.81","0.19","12","2","12","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C41 H34 Cl4 Cr2 Fe N12 -","- C41 H34 Cl4 Cr2 Fe N12 -","- C82 H68 Cl8 Cr4 Fe2 N24 -","2","1","","Michael Nippe; Jingfang Wang; Eckhard Bill; Håkon Hope; Naresh S. Dalal; John F. Berry","Crystals in Which Some Metal Atoms are More Equal Than Others: Inequalities From Crystal Packing and Their Spectroscopic/Magnetic Consequences","Journal of the American Chemical Society","2010","132","","14261","14272","10.1021/ja106510g","","","0.71073","MoKα","","0.0242","0.0238","","","0.0576","0.0579","","","","","","1.019","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103231","12.8741","0.0005","14.0942","0.0005","11.3501","0.0004","90","","90","","90","","2059.48","0.13","100","2","100","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Cr2 Mn N12 -","- C41 H34 Cl4 Cr2 Mn N12 -","- C82 H68 Cl8 Cr4 Mn2 N24 -","2","0.5","","Michael Nippe; Jingfang Wang; Eckhard Bill; Håkon Hope; Naresh S. Dalal; John F. Berry","Crystals in Which Some Metal Atoms are More Equal Than Others: Inequalities From Crystal Packing and Their Spectroscopic/Magnetic Consequences","Journal of the American Chemical Society","2010","132","","14261","14272","10.1021/ja106510g","","","0.71073","MoKα","","0.0781","0.0498","","","0.1063","0.1149","","","","","","0.953","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103232","11.3859","0.0004","14.1065","0.0004","12.8842","0.0004","90","","89.9967","0.0004","90","","2069.4","0.11","11","2","11","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C41 H34 Cl4 Cr2 Mn N12 -","- C41 H34 Cl4 Cr2 Mn N12 -","- C82 H68 Cl8 Cr4 Mn2 N24 -","2","1","","Michael Nippe; Jingfang Wang; Eckhard Bill; Håkon Hope; Naresh S. Dalal; John F. Berry","Crystals in Which Some Metal Atoms are More Equal Than Others: Inequalities From Crystal Packing and Their Spectroscopic/Magnetic Consequences","Journal of the American Chemical Society","2010","132","","14261","14272","10.1021/ja106510g","","","0.71073","MoKα","","0.0235","0.023","","","0.0579","0.0583","","","","","","1.057","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103233","16.255","0.003","15.817","0.003","17.08","0.003","90","","98.676","0.003","90","","4341.1","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Mn Mo2 N12 O -","- C44 H42 Cl2 Mn Mo2 N12 O -","- C176 H168 Cl8 Mn4 Mo8 N48 O4 -","4","1","","Michael Nippe; Jingfang Wang; Eckhard Bill; Håkon Hope; Naresh S. Dalal; John F. Berry","Crystals in Which Some Metal Atoms are More Equal Than Others: Inequalities From Crystal Packing and Their Spectroscopic/Magnetic Consequences","Journal of the American Chemical Society","2010","132","","14261","14272","10.1021/ja106510g","","","0.71073","MoKα","","0.0829","0.0582","","","0.121","0.1326","","","","","","1.049","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103234","9.0668","0.0007","9.8264","0.0007","40.256","0.003","95.495","0.01","92.413","0.01","104.368","0.01","3450.3","0.5","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H28 Au Cl F2 N2 -","- C43.5 H28 Au Cl F2 N2 -","- C174 H112 Au4 Cl4 F8 N8 -","4","2","","Vonika Ka-Man Au; Keith Man-Chung Wong; Daniel Ping-Kuen Tsang; Mei-Yee Chan; Nianyong Zhu; Vivian Wing-Wah Yam","High-Efficiency Green Organic Light-Emitting Devices Utilizing Phosphorescent Bis-cyclometalated Alkynylgold(III) Complexes","Journal of the American Chemical Society","2010","132","","14273","14278","10.1021/ja106579d","","","0.71073","MoKα","","0.0529","0.0415","","","0.0885","0.0916","","","","","","1.185","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103235","7.9489","0.0006","15.3972","0.0011","13.091","0.0009","90","","106.67","0.001","90","","1534.88","0.19","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Br1.15 Cl5.85 S Sb -","- C4 H10 Br1.153 Cl5.847 S Sb -","- C16 H40 Br4.612 Cl23.388 S4 Sb4 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks","Simple Reagents for Direct Halonium-Induced Polyene Cyclizations","Journal of the American Chemical Society","2010","132","","14303","14314","10.1021/ja106813s","","","0.71073","MoKα","","0.0782","0.0707","","","0.2072","0.2154","","","","","","1.088","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103236","6.5204","0.0003","7.5841","0.0003","14.6753","0.0007","97.119","0.001","98.834","0.001","109.628","0.001","663.32","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H21 Br O3 -","- C12 H21 Br O3 -","- C24 H42 Br2 O6 -","2","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks","Simple Reagents for Direct Halonium-Induced Polyene Cyclizations","Journal of the American Chemical Society","2010","132","","14303","14314","10.1021/ja106813s","","","0.71073","MoKα","","0.038","0.0281","","","0.068","0.0721","","","","","","1.036","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103237","15.821","0.003","7.1644","0.0012","15.281","0.003","90","","116.583","0.002","90","","1549","0.5","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Br O3 -","- C16 H25 Br O3 -","- C64 H100 Br4 O12 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks","Simple Reagents for Direct Halonium-Induced Polyene Cyclizations","Journal of the American Chemical Society","2010","132","","14303","14314","10.1021/ja106813s","","","0.71073","MoKα","","0.1552","0.0548","","","0.0997","0.1304","","","","","","1.006","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103238","8.4507","0.0013","11.6837","0.0018","13.062","0.002","63.818","0.002","73.597","0.002","71.708","0.002","1083.1","0.3","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H33 Br O4 -","- C23 H33 Br O4 -","- C46 H66 Br2 O8 -","2","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks","Simple Reagents for Direct Halonium-Induced Polyene Cyclizations","Journal of the American Chemical Society","2010","132","","14303","14314","10.1021/ja106813s","","","0.71073","MoKα","","0.0793","0.0672","","","0.1675","0.1754","","","","","","1.066","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103239","11.3702","0.0008","15.5446","0.001","15.5823","0.001","119.103","0.001","90.465","0.001","91.236","0.001","2405.3","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H20 Cl7 I2 S2 Sb -","- C8 H20 Cl7 I2 S2 Sb -","- C32 H80 Cl28 I8 S8 Sb4 -","4","2","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks","Simple Reagents for Direct Halonium-Induced Polyene Cyclizations","Journal of the American Chemical Society","2010","132","","14303","14314","10.1021/ja106813s","","","0.71073","MoKα","","0.0735","0.0556","","","0.146","0.16","","","","","","1.073","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103240","7.365","0.002","23.739","0.006","9.854","0.003","90","","109.818","0.003","90","","1620.8","0.8","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H38 N4 O4 -","- C38 H38 N4 O4 -","- C76 H76 N8 O8 -","2","1","","Haoxing Wu; Fei Xue; Xue Xiao; Yong Qin","Total Synthesis of (+)-Perophoramidine and Determination of the Absolute Configuration","Journal of the American Chemical Society","2010","132","","14052","14054","10.1021/ja1070043","","","0.71073","MoKα","","0.0494","0.0424","","","0.0813","0.0846","","","","","","1.003","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103241","22.998","0.0017","8.563","0.003","16.146","0.005","90","","90","","90","","3179.7","1.5","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","Zinc 1,3,5-Benzenetriphosphonatehydrate","","","- C6 H3 O13 P3 Zn3 -","- C6 H3 O13 P3 Zn3 -","- C48 H24 O104 P24 Zn24 -","8","","","Jared M. Taylor; Roger K. Mah; Igor L. Moudrakovski; Christopher I. Ratcliffe; Ramanathan Vaidhyanathan; George K. H. Shimizu","Facile Proton Conduction via Ordered Water Molecules in a Phosphonate Metal-Organic Framework","Journal of the American Chemical Society","2010","132","","14055","14057","10.1021/ja107035w","","","0.71073","MoKα","","0.0502","0.0401","","","0.0926","0.0997","","","","","","1.13","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103242","22.972","0.005","8.571","0.0017","16.148","0.003","90","","90","","90","","3179.4","1.1","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","Zinc 1,3,5-Benzenetriphosphonate tetrahydrate","","","- C6 H7 O13 P3 Zn3 -","- C6 H3 O13 P3 Zn3 -","- C48 H24 O104 P24 Zn24 -","8","","","Jared M. Taylor; Roger K. Mah; Igor L. Moudrakovski; Christopher I. Ratcliffe; Ramanathan Vaidhyanathan; George K. H. Shimizu","Facile Proton Conduction via Ordered Water Molecules in a Phosphonate Metal-Organic Framework","Journal of the American Chemical Society","2010","132","","14055","14057","10.1021/ja107035w","","","0.71073","MoKα","","0.0406","0.033","","","0.0972","0.102","","","","","","1.168","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103243","17.507","0.004","39.237","0.008","24.684","0.005","90","","131.52","0.03","90","","12695","8","113","1","113","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H160 N19 O10 P2 -","- C98 H160 N19 O10 P2 -","- C392 H640 N76 O40 P8 -","4","1","","Jonathan L. Sessler; Jiajia Cai; Han-Yuan Gong; Xiaoping Yang; Jonathan F. Arambula; Benjamin P. Hay","A Pyrrolyl-Based Triazolophane: A Macrocyclic Receptor With CH and NH Donor Groups That Exhibits a Preference for Pyrophosphate Anions","Journal of the American Chemical Society","2010","132","","14058","14060","10.1021/ja107098r","","","0.710747","MoKα","","0.1368","0.0979","","","0.2669","0.2973","","","","","","0.973","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103244","18.799","0.004","7.4924","0.0015","23.685","0.005","90","","125.38","0.03","90","","2720","1.4","223","2","223","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H68 N16 O5 -","- C54 H68 N16 O5 -","- C108 H136 N32 O10 -","2","0.5","","Jonathan L. Sessler; Jiajia Cai; Han-Yuan Gong; Xiaoping Yang; Jonathan F. Arambula; Benjamin P. Hay","A Pyrrolyl-Based Triazolophane: A Macrocyclic Receptor With CH and NH Donor Groups That Exhibits a Preference for Pyrophosphate Anions","Journal of the American Chemical Society","2010","132","","14058","14060","10.1021/ja107098r","","","0.710747","MoKα","","0.1945","0.0929","","","0.2083","0.27","","","","","","0.986","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103245","13.6803","0.0005","15.5256","0.0006","17.9443","0.0007","70.35","","80.36","","67.26","","3307.2","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H114 N2 Si12 -","- C46 H114 N2 Si12 -","- C92 H228 N4 Si24 -","2","1","","Torahiko Yamaguchi; Akira Sekiguchi; Matthias Driess","An N-Heterocyclic Carbene-Disilyne Complex and Its Reactivity toward ZnCl2","Journal of the American Chemical Society","2010","132","","14061","14063","10.1021/ja107160g","","","0.71073","MoKα","","0.0447","0.0353","","","0.0943","0.1008","","","","","","1.027","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103246","10.3809","0.0012","16.1779","0.0019","21.481","0.003","93.502","0.002","90.604","0.002","107.516","0.002","3432.3","0.7","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H108 Cl2 N2 Si12 Zn -","- C47 H108 Cl2 N2 Si12 Zn -","- C94 H216 Cl4 N4 Si24 Zn2 -","2","1","","Torahiko Yamaguchi; Akira Sekiguchi; Matthias Driess","An N-Heterocyclic Carbene-Disilyne Complex and Its Reactivity toward ZnCl2","Journal of the American Chemical Society","2010","132","","14061","14063","10.1021/ja107160g","","","0.71073","MoKα","","0.077","0.0479","","","0.1137","0.127","","","","","","1.025","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103247","20.116","0.003","9.738","0.005","18.742","0.006","90","","90","","90","","3671","2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H48 N2 Si Zr -","- C40 H48 N2 Si Zr -","- C160 H192 N8 Si4 Zr4 -","4","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.0812","0.075","","","0.1269","0.1295","","","","","","1.242","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103248","40.229","0.008","10.358","0.002","18.927","0.004","90","","99.51","0.03","90","","7778","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H49 N O Si Zr -","- C41 H49 N O Si Zr -","- C328 H392 N8 O8 Si8 Zr8 -","8","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.1951","0.0701","","","0.0917","0.0968","","","","","","0.981","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103249","8.833","0.004","11.184","0.005","29.474","0.012","90","","92.658","0.005","90","","2909","2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 N O2 Si -","- C30 H43 N O2 Si -","- C120 H172 N4 O8 Si4 -","4","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.0761","0.0729","","","0.1695","0.1717","","","","","","1.267","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103250","13.699","0.003","17.736","0.004","16.404","0.003","90","","103.28","0.03","90","","3879","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H53 N3 Si Zr -","- C42 H53 N3 Si Zr -","- C168 H212 N12 Si4 Zr4 -","4","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.2475","0.0632","","","0.1298","0.2109","","","","","","0.845","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103251","10.347","0.002","11.153","0.002","18.713","0.004","97.37","0.03","92.83","0.03","109","0.03","2015.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 N Si Zr -","- C44 H56 N Si Zr -","- C88 H112 N2 Si2 Zr2 -","2","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.0826","0.0476","","","0.0953","0.1001","","","","","","0.996","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103252","14.593","0.003","8.5806","0.0017","17.839","0.004","90","","91.89","0.03","90","","2232.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N Si -","- C25 H29 N Si -","- C100 H116 N4 Si4 -","4","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.1413","0.0469","","","0.0867","0.1211","","","","","","0.999","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103253","9.5247","0.0012","18.891","0.002","19.036","0.002","90","","90","","90","","3425.2","0.7","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cl N O Si Zr -","- C40 H40 Cl N O Si Zr -","- C160 H160 Cl4 N4 O4 Si4 Zr4 -","4","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.0568","0.0533","","","0.0989","0.1007","","","","","","1.134","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103254","15.934","0.003","15.239","0.003","15.016","0.003","90","","94.65","0.03","90","","3634.2","1.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 N2 Si Zr -","- C42 H34 N2 Si Zr -","- C168 H136 N8 Si4 Zr4 -","4","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.3024","0.072","","","0.176","0.24","","","","","","0.759","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103255","11.861","0.002","19.126","0.004","18.467","0.004","90","","94.46","0.03","90","","4176.6","1.5","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H61 Ce Cl N4 O Si6 -","- C26 H61 Ce Cl N4 O Si6 -","- C104 H244 Ce4 Cl4 N16 O4 Si24 -","4","1","","Peter Dröse; Alan R. Crozier; Samira Lashkari; Jochen Gottfriedsen; Steffen Blaurock; Cristian G. Hrib; Cäcilia Maichle-Mössmer; Christoph Schädle; Reiner Anwander; Frank T. Edelmann","Facile Access to Tetravalent Cerium Compounds: One-Electron Oxidation Using Iodine(III) Reagents","Journal of the American Chemical Society","2010","132","","14046","14047","10.1021/ja107494h","","","0.71073","MoKα","","0.0381","0.0319","","","0.0722","0.0744","","","","","","1.131","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103256","11.153","0.002","12.925","0.003","19.583","0.004","98.76","0.03","90.93","0.03","104.79","0.03","2693.1","1.1","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H75 Ce Cl N6 O3 Si6 -","- C42 H75 Ce Cl N6 O3 Si6 -","- C84 H150 Ce2 Cl2 N12 O6 Si12 -","2","1","","Peter Dröse; Alan R. Crozier; Samira Lashkari; Jochen Gottfriedsen; Steffen Blaurock; Cristian G. Hrib; Cäcilia Maichle-Mössmer; Christoph Schädle; Reiner Anwander; Frank T. Edelmann","Facile Access to Tetravalent Cerium Compounds: One-Electron Oxidation Using Iodine(III) Reagents","Journal of the American Chemical Society","2010","132","","14046","14047","10.1021/ja107494h","","","0.71073","MoKα","","0.0397","0.0299","","","0.0688","0.0704","","","","","","0.906","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103257","8.3124","0.0003","14.3667","0.0004","13.382","0.0005","90","","91.514","0.003","90","","1597.54","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18.5 H18.5 Ce Cl -","- C18.5 H18.5 Ce Cl -","- C74 H74 Ce4 Cl4 -","4","1","","Peter Dröse; Alan R. Crozier; Samira Lashkari; Jochen Gottfriedsen; Steffen Blaurock; Cristian G. Hrib; Cäcilia Maichle-Mössmer; Christoph Schädle; Reiner Anwander; Frank T. Edelmann","Facile Access to Tetravalent Cerium Compounds: One-Electron Oxidation Using Iodine(III) Reagents","Journal of the American Chemical Society","2010","132","","14046","14047","10.1021/ja107494h","","","0.71073","MoKα","","0.0327","0.027","","","0.0518","0.0535","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103258","4.873","0.006","13.133","0.016","13.3","0.016","90","","100.56","","90","","836.7","1.8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H11 Ce O9 -","- C17 H11 Ce O9 -","- C34 H22 Ce2 O18 -","2","1","","Dongbin Dang; Pengyan Wu; Cheng He; Zhong Xie; Chunying Duan","Homochiral Metal-Organic Frameworks for Heterogeneous Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14321","14323","10.1021/ja101208s","","","0.71073","MoKα","","0.1742","0.0777","","","0.1412","0.1723","","","","","","1.084","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103259","4.88","0.009","13.11","0.03","13.29","0.02","90","","100.58","","90","","836","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H11 Ce N0 O9 -","- C17 H11 Ce O9 -","- C34 H22 Ce2 O18 -","2","1","","Dongbin Dang; Pengyan Wu; Cheng He; Zhong Xie; Chunying Duan","Homochiral Metal-Organic Frameworks for Heterogeneous Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14321","14323","10.1021/ja101208s","","","0.71073","MoKα","","0.1479","0.0822","","","0.2054","0.2517","","","","","","0.98","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103260","8.664","0.004","26.844","0.013","15.377","0.007","90","","93.593","0.007","90","","3569","3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H64 Cd2 N6 O16 -","- C70 H58 Cd2 N6 O16 -","- C140 H116 Cd4 N12 O32 -","2","1","","Dongbin Dang; Pengyan Wu; Cheng He; Zhong Xie; Chunying Duan","Homochiral Metal-Organic Frameworks for Heterogeneous Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","14321","14323","10.1021/ja101208s","","","0.71073","MoKα","","0.3184","0.0759","","","0.1565","0.2231","","","","","","0.975","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103261","12.4649","0.0005","12.4649","0.0005","47.8243","0.0016","90","","90","","90","","7430.6","0.5","200","2","200","2","","","","","","","","2","I 41 c d","I 4bw -2c","110","Ph4-NDPL","","","- C60 H34 -","- C60 H34 -","- C480 H272 -","8","0.5","","Akihiro Shimizu; Takashi Kubo; Mikio Uruichi; Kyuya Yakushi; Masayoshi Nakano; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Yasukazu Hirao; Kouzou Matsumoto; Hiroyuki Kurata; Yasushi Morita; Kazuhiro Nakasuji","Alternating Covalent Bonding Interactions in a One-Dimensional Chain of a Phenalenyl-Based Singlet Biradical Molecule Having Kekulé Structures","Journal of the American Chemical Society","2010","132","","14421","14428","10.1021/ja1037287","","","0.71075","MoKα","","0.1068","0.0666","","","0.1595","0.183","","","","","","1.055","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103262","14.319","0.002","6.8536","0.0008","32.694","0.004","90","","93.782","0.002","90","","3201.5","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70.5 H65.5 N12.5 O5.5 -","- C60 H36 N10 -","- C120 H72 N20 -","2","0.5","","Wenbin Yang; Alex Greenaway; Xiang Lin; Ryotaro Matsuda; Alexander J. Blake; Claire Wilson; William Lewis; Peter Hubberstey; Susumu Kitagawa; Neil R. Champness; Martin Schröder","Exceptional Thermal Stability in a Supramolecular Organic Framework: Porosity and Gas Storage","Journal of the American Chemical Society","2010","132","","14457","14469","10.1021/ja1042935","","","0.71073","MoKα","","0.152","0.0783","","","0.188","0.209","","","","","","0.85","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103263","8.372","0.0014","12.087","0.002","16.072","0.003","87.336","0.003","88.089","0.003","79.577","0.003","1597.3","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H68 N12 O2 -","- C76 H68 N12 O2 -","- C76 H68 N12 O2 -","1","0.5","","Wenbin Yang; Alex Greenaway; Xiang Lin; Ryotaro Matsuda; Alexander J. Blake; Claire Wilson; William Lewis; Peter Hubberstey; Susumu Kitagawa; Neil R. Champness; Martin Schröder","Exceptional Thermal Stability in a Supramolecular Organic Framework: Porosity and Gas Storage","Journal of the American Chemical Society","2010","132","","14457","14469","10.1021/ja1042935","","","0.71073","MoKα","","0.0798","0.0499","","","0.127","0.149","","","","","","1.03","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103264","8.3803","0.0009","12.1013","0.0012","16.1017","0.0016","87.352","0.002","88.209","0.002","79.709","0.002","1604.5","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H68 N12 O2 -","- C76 H68 N12 O2 -","- C76 H68 N12 O2 -","1","0.5","","Wenbin Yang; Alex Greenaway; Xiang Lin; Ryotaro Matsuda; Alexander J. Blake; Claire Wilson; William Lewis; Peter Hubberstey; Susumu Kitagawa; Neil R. Champness; Martin Schröder","Exceptional Thermal Stability in a Supramolecular Organic Framework: Porosity and Gas Storage","Journal of the American Chemical Society","2010","132","","14457","14469","10.1021/ja1042935","","","0.71073","MoKα","","0.0634","0.0419","","","0.105","0.114","","","","","","1.02","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103265","9.0709","0.0007","10.9421","0.0008","12.7964","0.001","93.573","0.001","99.335","0.001","104.496","0.001","1206.32","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H54 N12 O6 -","- C50 H54 N12 O6 -","- C50 H54 N12 O6 -","1","0.5","","Wenbin Yang; Alex Greenaway; Xiang Lin; Ryotaro Matsuda; Alexander J. Blake; Claire Wilson; William Lewis; Peter Hubberstey; Susumu Kitagawa; Neil R. Champness; Martin Schröder","Exceptional Thermal Stability in a Supramolecular Organic Framework: Porosity and Gas Storage","Journal of the American Chemical Society","2010","132","","14457","14469","10.1021/ja1042935","","","0.71073","MoKα","","0.0589","0.0487","","","0.113","0.119","","","","","","1.04","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103266","10.617","0.003","13.214","0.004","11.835","0.003","90","","91.952","0.006","90","","1659.4","0.8","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 N10 -","- C40 H24 N10 -","- C80 H48 N20 -","2","0.5","","Wenbin Yang; Alex Greenaway; Xiang Lin; Ryotaro Matsuda; Alexander J. Blake; Claire Wilson; William Lewis; Peter Hubberstey; Susumu Kitagawa; Neil R. Champness; Martin Schröder","Exceptional Thermal Stability in a Supramolecular Organic Framework: Porosity and Gas Storage","Journal of the American Chemical Society","2010","132","","14457","14469","10.1021/ja1042935","","","0.71073","MoKα","","0.135","0.082","","","0.162","0.18","","","","","","1.01","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103267","7.7384","0.0013","8.4662","0.0014","14.83","0.002","74.005","0.002","83.219","0.003","77.332","0.002","909.5","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N3 O2 Pd -","- C22 H17 N3 O2 Pd -","- C44 H34 N6 O4 Pd2 -","2","1","","David C. Powers; Daphne Y. Xiao; Matthias A. L. Geibel; Tobias Ritter","On the Mechanism of Palladium-Catalyzed Aromatic C-H Oxidation","Journal of the American Chemical Society","2010","132","","14530","14536","10.1021/ja1054274","","","0.71073","MoKα","","0.0299","0.0248","","","0.0562","0.0592","","","","","","1.062","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103268","11.2731","0.0019","12.654","0.002","12.768","0.002","78.801","0.002","67.287","0.002","88.854","0.003","1645.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H26 Cl2 N4 O4 Pd2 -","- C35 H26 Cl2 N4 O4 Pd2 -","- C70 H52 Cl4 N8 O8 Pd4 -","2","1","","David C. Powers; Daphne Y. Xiao; Matthias A. L. Geibel; Tobias Ritter","On the Mechanism of Palladium-Catalyzed Aromatic C-H Oxidation","Journal of the American Chemical Society","2010","132","","14530","14536","10.1021/ja1054274","","","0.71073","MoKα","","0.0308","0.0268","","","0.0717","0.0739","","","","","","1.069","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103269","17.8217","0.0013","6.837","0.0005","26.0357","0.0016","90","","124.977","0.004","90","","2599.4","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C61 H49 Cl2 N2 Pd -","- C61 H49 Cl2 N2 Pd -","- C122 H98 Cl4 N4 Pd2 -","2","0.5","","Revital Kaminker; Leila Motiei; Antonino Gulino; Ignazio Fragalà; Linda J. W. Shimon; Guennadi Evmenenko; Pulak Dutta; Mark A. Iron; Milko E. van der Boom","Stepwise Assembly of Coordination-Based Metal-Organic Networks","Journal of the American Chemical Society","2010","132","","14554","14561","10.1021/ja105518n","","","0.71073","MoKα","","0.0985","0.0589","","","0.1419","0.1663","","","","","","1.033","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103270","9.4593","0.0006","8.7835","0.0005","16.0818","0.0009","90","","97.199","0.002","90","","1325.64","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetradiethylether difluoro ditetrafluoroborate dicopper(II)","","- C16 H40 B2 Cu2 F10 O4 -","- C16 H40 B2 Cu2 F10 O4 -","- C32 H80 B4 Cu4 F20 O8 -","2","0.5","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Structural Characterization of a Copper Nitrosyl Complex with a {CuNO}10 Configuration","Journal of the American Chemical Society","2010","132","","14336","14337","10.1021/ja105930b","","","0.71073","MoKα","","0.0484","0.0431","","","0.1177","0.123","","","","","","1.073","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103271","8.3135","0.0015","11.698","0.002","11.779","0.002","95.151","0.003","104.839","0.003","91.269","0.003","1101.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","pentanitromethane copper (II) hexafluorophosphate","","- C5 H15 Cu F12 N5 O10 P2 -","- C5 H15 Cu F11.98 N5 O10 P2 -","- C10 H30 Cu2 F23.96 N10 O20 P4 -","2","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Structural Characterization of a Copper Nitrosyl Complex with a {CuNO}10 Configuration","Journal of the American Chemical Society","2010","132","","14336","14337","10.1021/ja105930b","","","0.71073","MoKα","","0.0973","0.0693","","","0.1606","0.1702","","","","","","1.713","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103272","12.3815","0.0009","14.8062","0.001","28.388","0.002","90","","90","","90","","5204.2","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","pentanitromethane nitrosyl copper (II) hexafluorophosphate","","- C6 H18 Cu F12 N7 O13 P2 -","- C6 H18 Cu F12 N7 O13 P2 -","- C48 H144 Cu8 F96 N56 O104 P16 -","8","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Structural Characterization of a Copper Nitrosyl Complex with a {CuNO}10 Configuration","Journal of the American Chemical Society","2010","132","","14336","14337","10.1021/ja105930b","","","0.71073","MoKα","","0.1014","0.0515","","","0.1281","0.1582","","","","","","0.988","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103273","8.6563","0.0009","15.9398","0.0017","14.8137","0.0016","90","","98.661","0.002","90","","2020.7","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(mesitylene) copper (I) hexafluorophosphate","","- C18 H24 Cu F6 P -","- C18 H24 Cu F6 P -","- C72 H96 Cu4 F24 P4 -","4","0.5","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Structural Characterization of a Copper Nitrosyl Complex with a {CuNO}10 Configuration","Journal of the American Chemical Society","2010","132","","14336","14337","10.1021/ja105930b","","","0.71073","MoKα","","0.0757","0.0555","","","0.1518","0.1649","","","","","","1.05","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103274","13.7393","0.0003","18.4558","0.0004","17.0955","0.0004","90","","90.2253","0.0017","90","","4334.87","0.17","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H66 I N2 O P Pd -","- C46 H66 I N2 O P Pd -","- C184 H264 I4 N8 O4 P4 Pd4 -","4","1","","Xiao-Feng Wu; Helfried Neumann; Anke Spannenberg; Thomas Schulz; Haijun Jiao; Matthias Beller","Development of a General Palladium-Catalyzed Carbonylative Heck Reaction of Aryl Halides","Journal of the American Chemical Society","2010","132","","14596","14602","10.1021/ja1059922","","","0.71073","MoKα","","0.0556","0.0301","","","0.0542","0.0577","","","","","","0.818","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103275","12.7752","0.0002","14.9793","0.0003","23.3956","0.0004","90","","102.392","0.0014","90","","4372.76","0.14","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.2 H65.3 I1.1 N2 O1.9 P Pd -","- C46.2 H65.3 I1.1 N2 O1.9 P Pd -","- C184.8 H261.2 I4.4 N8 O7.6 P4 Pd4 -","4","1","","Xiao-Feng Wu; Helfried Neumann; Anke Spannenberg; Thomas Schulz; Haijun Jiao; Matthias Beller","Development of a General Palladium-Catalyzed Carbonylative Heck Reaction of Aryl Halides","Journal of the American Chemical Society","2010","132","","14596","14602","10.1021/ja1059922","","","0.71073","MoKα","","0.0476","0.0255","","","0.0474","0.0501","","","","","","0.813","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103276","7.2548","0.0015","7.5417","0.0016","11.167","0.003","98.349","0.004","98.643","0.004","118.152","0.003","516","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 N6 O6 S4 -","- C12 H24 N6 O6 S4 -","- C12 H24 N6 O6 S4 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0741","0.0668","","","0.1892","0.1956","","","","","","1.149","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103277","7.6803","0.0005","20.1103","0.0013","11.9293","0.0008","90","","92.019","0.001","90","","1841.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N6 O6 S8 -","- C30 H30 N6 O6 S8 -","- C60 H60 N12 O12 S16 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.074","0.0704","","","0.2126","0.217","","","","","","1.057","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103278","7.2917","0.0004","12.1492","0.0007","15.2108","0.0009","68.059","0.001","80.634","0.001","86.118","0.001","1233.2","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N6 O6 S4 -","- C20 H24 N6 O6 S4 -","- C40 H48 N12 O12 S8 -","2","1","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0502","0.0475","","","0.1512","0.1549","","","","","","1.104","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103279","7.1188","0.0005","12.3016","0.0009","13.0373","0.0009","81.629","0.004","75.62","0.003","79.022","0.004","1079.89","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N12 O12 S6 -","- C32 H42 N12 O12 S6 -","- C32 H42 N12 O12 S6 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0503","0.044","","","0.1236","0.1296","","","","","","1.045","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103280","7.5783","0.0018","11.932","0.003","24.791","0.006","90","","90.963","0.004","90","","2241.4","0.9","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 N6 O6 S8 -","- C38 H38 N6 O6 S8 -","- C76 H76 N12 O12 S16 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0509","0.0427","","","0.1107","0.117","","","","","","1.119","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103281","6.1289","0.0003","7.1528","0.0004","15.7075","0.0008","93.882","0.003","96.13","0.003","93.115","0.003","681.77","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N8 O6 S4 -","- C22 H26 N8 O6 S4 -","- C22 H26 N8 O6 S4 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0436","0.0378","","","0.1029","0.1071","","","","","","1.044","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103282","6.1495","0.0005","7.2725","0.0006","16.2688","0.0014","96.933","0.005","91.913","0.005","93.743","0.005","720.09","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N6 O6 S4 -","- C24 H30 N6 O6 S4 -","- C24 H30 N6 O6 S4 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0387","0.0347","","","0.0899","0.0917","","","","","","1.099","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103283","6.1517","0.0004","7.2099","0.0005","16.0369","0.001","94.01","0.004","96.867","0.004","93.349","0.003","702.85","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N6 O6 S4 -","- C24 H28 N6 O6 S4 -","- C24 H28 N6 O6 S4 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0339","0.0304","","","0.0769","0.0793","","","","","","1.04","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103284","7.1426","0.0009","12.7521","0.0015","13.1674","0.0016","91.845","0.002","104.765","0.002","104.145","0.002","1118.8","0.2","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H46 N12 O12 S4 -","- C36 H46 N12 O12 S4 -","- C36 H46 N12 O12 S4 -","1","1","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0463","0.0374","","","0.1002","0.1095","","","","","","1.04","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103285","6.1627","0.0004","7.2125","0.0005","16.0535","0.0011","95.263","0.001","94.758","0.001","94.611","0.001","705.31","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N8 O6 S2 -","- C26 H30 N8 O6 S2 -","- C26 H30 N8 O6 S2 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.033","0.0319","","","0.0885","0.0899","","","","","","1.055","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103286","7.1367","0.0006","12.4838","0.001","12.6842","0.0011","83.869","0.002","77.676","0.002","85.366","0.002","1095.76","0.16","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H44 N12 O12 S6 -","- C34 H44 N12 O12 S6 -","- C34 H44 N12 O12 S6 -","1","1","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.4428","synchrotron","","0.08","0.05","","","0.1327","0.1557","","","","","","1.187","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103287","7.573","0.002","11.721","0.004","28.831","0.009","90","","91.22","0.006","90","","2558.5","1.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 N8 O6 S8 -","- C44 H44 N8 O6 S8 -","- C88 H88 N16 O12 S16 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0829","0.0685","","","0.1877","0.1961","","","","","","1.028","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103288","6.0857","0.0008","7.2198","0.001","18.138","0.003","94.606","0.002","99.461","0.002","91.746","0.002","782.8","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N6 O8 S4 -","- C26 H32 N6 O8 S4 -","- C26 H32 N6 O8 S4 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0519","0.0376","","","0.0895","0.1058","","","","","","1.069","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103289","7.1097","0.0005","12.6139","0.001","13.8091","0.0011","110.979","0.001","101.82","0.001","93.951","0.001","1118.01","0.15","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H46 N14 O12 S4 -","- C36 H46 N14 O12 S4 -","- C36 H46 N14 O12 S4 -","1","1","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0407","0.0308","","","0.0911","0.1005","","","","","","1.052","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103290","7.575","0.0011","29.22","0.004","11.6324","0.0018","90","","90.103","0.003","90","","2574.7","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 N14 O6 S2 -","- C50 H50 N14 O6 S2 -","- C100 H100 N28 O12 S4 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0318","0.029","","","0.0792","0.0825","","","","","","1.039","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103291","7.6405","0.0004","30.4156","0.0018","11.4061","0.0006","90","","90.726","0.001","90","","2650.5","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H54 N12 O6 S2 -","- C52 H54 N12 O6 S2 -","- C104 H108 N24 O12 S4 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0579","0.0438","","","0.1059","0.1152","","","","","","1.026","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103292","7.6142","0.0005","29.502","0.002","11.6308","0.0008","90","","90.1","","90","","2612.7","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 N12 O6 S2 -","- C52 H52 N12 O6 S2 -","- C104 H104 N24 O12 S4 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0789","0.0441","","","0.0911","0.1051","","","","","","1.063","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103293","6.1014","0.0004","7.3115","0.0005","17.9047","0.0013","91.168","0.001","97.062","0.001","95.911","0.001","788.02","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 N8 O8 S2 -","- C28 H34 N8 O8 S2 -","- C28 H34 N8 O8 S2 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0383","0.0346","","","0.1004","0.1099","","","","","","1.019","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103294","7.1176","0.0005","12.5978","0.0008","12.6173","0.0008","85.85","0.001","87.616","0.001","78.77","0.001","1106.34","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N12 O12 S4 -","- C38 H48 N12 O12 S4 -","- C38 H48 N12 O12 S4 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0384","0.0324","","","0.1005","0.1059","","","","","","1.043","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103295","7.6038","0.0005","30.2564","0.0019","11.4283","0.0007","90","","90.043","0.001","90","","2629.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 N8 O6 S2 -","- C56 H56 N8 O6 S2 -","- C112 H112 N16 O12 S4 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0439","0.0368","","","0.0919","0.0966","","","","","","1.037","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103296","7.6384","0.0005","30.908","0.002","11.3694","0.0007","90","","90.739","0.001","90","","2684","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 N6 O6 S2 -","- C58 H60 N6 O6 S2 -","- C116 H120 N12 O12 S4 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0598","0.0407","","","0.0905","0.0986","","","","","","1.066","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103297","6.096","0.0004","7.2875","0.0004","18.363","0.0011","97.193","0.001","98.178","0.001","92.011","0.001","799.96","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 N6 O8 S2 -","- C30 H36 N6 O8 S2 -","- C30 H36 N6 O8 S2 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0446","0.0333","","","0.0842","0.0907","","","","","","1.038","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103298","7.1652","0.0005","12.5807","0.001","25.0454","0.0019","94.26","0.001","91.019","0.001","91.299","0.001","2250.4","0.3","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H50 N12 O12 S4 -","- C38 H50 N12 O12 S4 -","- C76 H100 N24 O24 S8 -","2","2","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0695","0.0459","","","0.1248","0.1433","","","","","","1.045","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103299","7.7072","0.0006","29.84","0.002","11.4574","0.0009","90","","90.748","0.001","90","","2634.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 N8 O6 S2 -","- C56 H62 N8 O6 S2 -","- C112 H124 N16 O12 S4 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0358","0.032","","","0.0818","0.0847","","","","","","1.044","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103300","7.7503","0.0006","30.182","0.002","11.5482","0.0009","90","","90.583","0.002","90","","2701.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H66 N6 O6 S2 -","- C58 H66 N6 O6 S2 -","- C116 H132 N12 O12 S4 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0679","0.0435","","","0.096","0.1071","","","","","","1.028","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103301","7.7596","0.0005","30.2152","0.0019","11.513","0.0007","90","","90.739","0.001","90","","2699.1","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H64 N6 O6 S2 -","- C58 H64 N6 O6 S2 -","- C116 H128 N12 O12 S4 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0549","0.0377","","","0.0872","0.0957","","","","","","1.029","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103302","6.1532","0.0008","7.2222","0.001","18.283","0.002","95.493","0.002","98.852","0.002","92.424","0.002","797.78","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 N6 O8 S2 -","- C30 H38 N6 O8 S2 -","- C30 H38 N6 O8 S2 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0353","0.0307","","","0.0889","0.1006","","","","","","1.111","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103303","6.2754","0.0013","7.188","0.0015","15.396","0.003","91.838","0.003","95.848","0.003","96.074","0.003","686.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N8 O6 S6 -","- C20 H24 N8 O6 S6 -","- C20 H24 N8 O6 S6 -","1","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0695","0.0584","","","0.1688","0.1765","","","","","","1.186","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103304","34.32","0.004","8.1261","0.0008","10.1674","0.001","90","","99.663","0.003","90","","2795.3","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H26 N6 O6 S6 -","- C22 H26 N6 O6 S6 -","- C88 H104 N24 O24 S24 -","4","1","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0277","0.0259","","","0.069","0.0709","","","","","","1.054","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103305","7.6167","0.0012","31.632","0.005","11.2812","0.0017","90","","90.604","0.002","90","","2717.8","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 N8 O6 S11 -","- C50 H44 N8 O6 S11 -","- C100 H88 N16 O12 S22 -","2","0.5","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0516","0.0432","","","0.113","0.119","","","","","","1.051","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103306","12.3178","0.0007","7.4997","0.0004","38.947","0.002","90","","96.277","0.002","90","","3576.3","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N6 O8 S5 -","- C30 H36 N6 O8 S5 -","- C120 H144 N24 O32 S20 -","4","1","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.1203","0.0872","","","0.1947","0.2108","","","","","","1.076","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103307","9.2497","0.0002","12.6393","0.0003","16.3642","0.0004","90","","100.554","0.001","90","","1880.77","0.08","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C41 H52 Cl Co N2 O2 -","- C41 H52 Cl Co N2 O2 -","- C82 H104 Cl2 Co2 N4 O4 -","2","1","","Aubrey L. Smith; Kenneth I. Hardcastle; Jake D. Soper","Redox-Active Ligand-Mediated Oxidative Addition and Reductive Elimination at Square Planar Cobalt(III): Multielectron Reactions for Cross-Coupling","Journal of the American Chemical Society","2010","132","","14358","14360","10.1021/ja106212w","","","0.71073","MoKα","","0.0538","0.0471","","","0.1105","0.1154","","","","","","1.055","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103308","13.036","0.014","13.449","0.014","13.553","0.014","67.671","0.015","85.679","0.016","64.31","0.015","1969","4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H55 Co N2 O2 -","- C42 H55 Co N2 O2 -","- C84 H110 Co2 N4 O4 -","2","1","","Aubrey L. Smith; Kenneth I. Hardcastle; Jake D. Soper","Redox-Active Ligand-Mediated Oxidative Addition and Reductive Elimination at Square Planar Cobalt(III): Multielectron Reactions for Cross-Coupling","Journal of the American Chemical Society","2010","132","","14358","14360","10.1021/ja106212w","","","0.71073","MoKα","","0.104","0.0558","","","0.1084","0.1266","","","","","","1.004","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103309","13.1141","0.0008","23.6161","0.0014","20.7503","0.0012","90","","106.324","0.001","90","","6167.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C131 H180 Li4 N8 O4 -","- C131 H172 Li4 N8 O4 -","- C262 H344 Li8 N16 O8 -","2","0.5","","Yuzhong Wang; Yaoming Xie; Mariham Y. Abraham; Pingrong Wei; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","A Viable Anionic N-Heterocyclic Dicarbene","Journal of the American Chemical Society","2010","132","","14370","14372","10.1021/ja106631r","","","0.71073","MoKα","","0.1671","0.0736","","","0.1816","0.2249","","","","","","1.084","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103310","10.3408","0.0009","10.4182","0.0009","19.7667","0.0018","86.39","0.001","79.507","0.001","72.255","0.001","1994.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H60 Al Li N2 O2 -","- C38 H60 Al Li N2 O2 -","- C76 H120 Al2 Li2 N4 O4 -","2","1","","Yuzhong Wang; Yaoming Xie; Mariham Y. Abraham; Pingrong Wei; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","A Viable Anionic N-Heterocyclic Dicarbene","Journal of the American Chemical Society","2010","132","","14370","14372","10.1021/ja106631r","","","0.71073","MoKα","","0.1758","0.0618","","","0.1251","0.166","","","","","","1.004","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103311","11.7165","0.0007","17.9698","0.0011","19.7863","0.0012","90","","101.539","0.001","90","","4081.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H66 B Li N2 O2 -","- C41 H66 B Li N2 O2 -","- C164 H264 B4 Li4 N8 O8 -","4","1","","Yuzhong Wang; Yaoming Xie; Mariham Y. Abraham; Pingrong Wei; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","A Viable Anionic N-Heterocyclic Dicarbene","Journal of the American Chemical Society","2010","132","","14370","14372","10.1021/ja106631r","","","0.71073","MoKα","","0.0999","0.0551","","","0.1386","0.1647","","","","","","1.005","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103312","13.43","0.002","20.533","0.003","34.121","0.005","90","","90","","90","","9409","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H74 B Li N4 -","- C46 H74 B Li N4 -","- C368 H592 B8 Li8 N32 -","8","1","","Yuzhong Wang; Yaoming Xie; Mariham Y. Abraham; Pingrong Wei; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","A Viable Anionic N-Heterocyclic Dicarbene","Journal of the American Chemical Society","2010","132","","14370","14372","10.1021/ja106631r","","","0.71073","MoKα","","0.2127","0.0703","","","0.1504","0.2086","","","","","","1.001","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103313","9.717","0.001","9.211","0.0009","6.035","0.0005","90","","90","","90","","540.15","0.09","150","2","150","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C5 H4 O4 -","- C5 H4 O4 -","- C20 H16 O16 -","4","0.25","","James C. Griffith; Kevin M. Jones; Sylvain Picon; Michael J. Rawling; Benson M. Kariuki; Matthew Campbell; Nicholas C. O. Tomkinson","Alkene Syn Dihydroxylation with Malonoyl Peroxides","Journal of the American Chemical Society","2010","132","","14409","14411","10.1021/ja1066674","","","0.71073","MoKα","","0.039","0.0324","","","0.0807","0.0851","","","","","","1.105","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103314","9.448","0.0007","6.465","0.0005","11.59","0.0011","90","","95.283","0.003","90","","704.93","0.1","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O4 -","- C7 H8 O4 -","- C28 H32 O16 -","4","1","","James C. Griffith; Kevin M. Jones; Sylvain Picon; Michael J. Rawling; Benson M. Kariuki; Matthew Campbell; Nicholas C. O. Tomkinson","Alkene Syn Dihydroxylation with Malonoyl Peroxides","Journal of the American Chemical Society","2010","132","","14409","14411","10.1021/ja1066674","","","0.71073","MoKα","","0.1027","0.0602","","","0.1279","0.1487","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103315","6.492","0.0007","6.138","0.0006","7.61","0.0008","90","","91.908","0.004","90","","303.07","0.05","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C6 H6 O4 -","- C6 H6 O4 -","- C12 H12 O8 -","2","0.5","","James C. Griffith; Kevin M. Jones; Sylvain Picon; Michael J. Rawling; Benson M. Kariuki; Matthew Campbell; Nicholas C. O. Tomkinson","Alkene Syn Dihydroxylation with Malonoyl Peroxides","Journal of the American Chemical Society","2010","132","","14409","14411","10.1021/ja1066674","","","0.71073","MoKα","","0.0541","0.0465","","","0.1095","0.1127","","","","","","1.069","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103316","10.99","0.002","12.734","0.002","18.542","0.002","90","","101.8","0.02","90","","2540.1","0.7","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","hexacarbonyldi-μ-chloro(μ-4,5-bis(trimethylsilyl)pyridazine-κN1:κN2) dirhenium","","- C16 H20 Cl2 N2 O6 Re2 Si2 -","- C16 H20 Cl2 N2 O6 Re2 Si2 -","- C64 H80 Cl8 N8 O24 Re8 Si8 -","4","0.5","","Elsa Quartapelle Procopio; Matteo Mauro; Monica Panigati; Daniela Donghi; Pierluigi Mercandelli; Angelo Sironi; Giuseppe D'Alfonso; Luisa De Cola","Highly Emitting Concomitant Polymorphic Crystals of a Dinuclear Rhenium Complex","Journal of the American Chemical Society","2010","132","","14397","14399","10.1021/ja106772v","","","0.71073","MoKα","","0.0239","0.0194","","","0.0348","0.0359","","","","","","1.052","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103317","21.509","0.002","6.355","0.002","36.997","0.002","90","","90","","90","","5057.1","1.7","295","2","295","2","","","","","","","","7","P n a 21","P 2c -2n","33","","hexacarbonyldi-μ-chloro(μ-4,5-bis(trimethylsilyl)pyridazine-κN1:κN2) dirhenium","","- C16 H20 Cl2 N2 O6 Re2 Si2 -","- C16 H20 Cl2 N2 O6 Re2 Si2 -","- C128 H160 Cl16 N16 O48 Re16 Si16 -","8","2","","Elsa Quartapelle Procopio; Matteo Mauro; Monica Panigati; Daniela Donghi; Pierluigi Mercandelli; Angelo Sironi; Giuseppe D'Alfonso; Luisa De Cola","Highly Emitting Concomitant Polymorphic Crystals of a Dinuclear Rhenium Complex","Journal of the American Chemical Society","2010","132","","14397","14399","10.1021/ja106772v","","","0.71073","MoKα","","0.04","0.0344","","","0.0864","0.0917","","","","","","1.066","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103318","9.84102","0.00009","9.25426","0.00006","10.86112","0.00011","90","","108.426","0.001","90","","938.428","0.015","100","2","100","2","","","","","","","Graham Pattison","4","P 1 21 1","P 2yb","4","","","","- C24 H21 F N2 -","- C24 H21 F N2 -","- C48 H42 F2 N4 -","2","1","","Graham Pattison; Guillaume Piraux; Hon Wai Lam","Enantioselective Rhodium-Catalyzed Addition of Arylboronic Acids to Alkenylheteroarenes","Journal of the American Chemical Society","2010","132","","14373","14375","10.1021/ja106809p","","","1.5418","CuKα","","0.036","0.0352","","","0.0917","0.0925","","","","","","1.02","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103319","7.7828","0.0001","19.4165","0.0004","24.7658","0.0005","90","","90","","90","","3742.48","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 N6 O7 S7.77 -","- C33 H34 N6 O7 S7.771 -","- C132 H136 N24 O28 S31.084 -","4","1","","Justin Kim; Mohammad Movassaghi","General Approach to Epipolythiodiketopiperazine Alkaloids: Total Synthesis of (+)-Chaetocins A and C and (+)-12,12'-Dideoxychetracin A","Journal of the American Chemical Society","2010","132","","14376","14378","10.1021/ja106869s","","","1.54178","CuKα","","0.0612","0.0569","","","0.1527","0.1568","","","","","","1.043","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103320","13.502","0.003","13.892","0.003","40.821","0.008","90","","90","","90","","7657","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H64 B3 Cl4.5 N O9 -","- C80 H64 B3 Cl4.5 N O9 -","- C320 H256 B12 Cl18 N4 O36 -","4","1","","Gang Hu; Anil K. Gupta; Rui H. Huang; Munmun Mukherjee; William D. Wulff","Substrate-Induced Covalent Assembly of a Chemzyme and Crystallographic Characterization of a Chemzyme-Substrate Complex","Journal of the American Chemical Society","2010","132","","14669","14675","10.1021/ja1070224","","x-ray","0.71073","MoKα","","0.1296","0.0936","","","0.261","0.2928","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103321","18.536","0.004","29.114","0.006","13.34","0.003","90","","90","","90","","7199","3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C81.5 H69 B3 Cl4.5 N2 O9 -","- C82 H69 B3 Cl5 N2 O9 -","- C328 H276 B12 Cl20 N8 O36 -","4","1","","Gang Hu; Anil K. Gupta; Rui H. Huang; Munmun Mukherjee; William D. Wulff","Substrate-Induced Covalent Assembly of a Chemzyme and Crystallographic Characterization of a Chemzyme-Substrate Complex","Journal of the American Chemical Society","2010","132","","14669","14675","10.1021/ja1070224","","","0.71073","MoKα","","0.1446","0.0922","","","0.2384","0.2508","","","","","","1.41","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103322","15.4911","0.0007","8.1017","0.0004","23.2701","0.0011","90","","90","","90","","2920.5","0.2","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Pd-complex","Pd-complex","","- C26 H25 N3 O7 Pd -","- C23 H18 N3 O4 Pd -","- C92 H72 N12 O16 Pd4 -","4","1","","Williamson Oloo; Peter Y. Zavalij; Jing Zhang; Eugene Khaskin; Andrei N. Vedernikov","Preparation and C-X Reductive Elimination Reactivity of Monoaryl PdIV-X Complexes in Water (X = OH, OH2, Cl, Br)","Journal of the American Chemical Society","2010","132","","14400","14402","10.1021/ja107185w","","","0.71073","MoKα","","0.0444","0.0343","","","0.0666","0.0695","","","","","","1","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103323","13.097","0.0016","17.566","0.002","13.4039","0.0016","90","","107.34","0.002","90","","2943.6","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pd-complex acetate","Pd-complex acetate, acetone","","- C27.775 H28.55 N3 O5.925 Pd -","- C25 H23 N3 O5 Pd -","- C100 H92 N12 O20 Pd4 -","4","1","","Williamson Oloo; Peter Y. Zavalij; Jing Zhang; Eugene Khaskin; Andrei N. Vedernikov","Preparation and C-X Reductive Elimination Reactivity of Monoaryl PdIV-X Complexes in Water (X = OH, OH2, Cl, Br)","Journal of the American Chemical Society","2010","132","","14400","14402","10.1021/ja107185w","","","0.71073","MoKα","","0.0404","0.0357","","","0.0783","0.0798","","","","","","1.001","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103324","17.0379","0.0014","8.026","0.0007","18.886","0.0016","90","","90","","90","","2582.6","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","Pd-complex","Pd-complex","","- C23 H31 N3 O11 Pd -","- C23 H31 N3 O11 Pd -","- C92 H124 N12 O44 Pd4 -","4","1","","Williamson Oloo; Peter Y. Zavalij; Jing Zhang; Eugene Khaskin; Andrei N. Vedernikov","Preparation and C-X Reductive Elimination Reactivity of Monoaryl PdIV-X Complexes in Water (X = OH, OH2, Cl, Br)","Journal of the American Chemical Society","2010","132","","14400","14402","10.1021/ja107185w","","","0.71073","MoKα","","0.0269","0.0229","","","0.0454","0.0469","","","","","","1","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103325","14.4824","0.0012","12.8318","0.0011","16.8071","0.0014","90","","113.782","0.0013","90","","2858.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd-complex","Pd-complex","","- C27 H23 F6 N3 O8 Pd -","- C27 H23 F6 N3 O8 Pd -","- C108 H92 F24 N12 O32 Pd4 -","4","1","","Williamson Oloo; Peter Y. Zavalij; Jing Zhang; Eugene Khaskin; Andrei N. Vedernikov","Preparation and C-X Reductive Elimination Reactivity of Monoaryl PdIV-X Complexes in Water (X = OH, OH2, Cl, Br)","Journal of the American Chemical Society","2010","132","","14400","14402","10.1021/ja107185w","","","0.71073","MoKα","","0.0414","0.032","","","0.0656","0.0681","","","","","","1","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103326","8.4848","0.0005","8.6172","0.0005","10.4326","0.0007","79.5984","0.0009","88.5172","0.001","86.6206","0.0009","748.85","0.08","150","2","150","2","","","","","","","","5","P 1","P 1","1","Pd-complex","Pd-complex","","- C24 H39 N3 O14 Pd -","- C24 H39 N3 O14 Pd -","- C24 H39 N3 O14 Pd -","1","1","","Williamson Oloo; Peter Y. Zavalij; Jing Zhang; Eugene Khaskin; Andrei N. Vedernikov","Preparation and C-X Reductive Elimination Reactivity of Monoaryl PdIV-X Complexes in Water (X = OH, OH2, Cl, Br)","Journal of the American Chemical Society","2010","132","","14400","14402","10.1021/ja107185w","","","0.71073","MoKα","","0.0208","0.0208","","","0.0492","0.0492","","","","","","1","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4103327","9.8089","0.0006","8.4633","0.0005","13.9252","0.0009","90","","108.657","0.003","90","","1095.26","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 F3 N2 O3 -","- C25 H25 F3 N2 O3 -","- C50 H50 F6 N4 O6 -","2","1","","Lindsay M. Repka; Jane Ni; Sarah E. Reisman","Enantioselective Synthesis of Pyrroloindolines by a Formal [3 + 2] Cycloaddition Reaction","Journal of the American Chemical Society","2010","132","","14418","14420","10.1021/ja107328g","","","0.71073","MoKα","","0.0561","0.0393","","","0.0443","0.0463","","","","","","1.14","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4103328","13.9506","0.0005","7.2073","0.0002","16.3208","0.0005","90","","107.99","0.001","90","","1560.77","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F3 N2 O3 -","- C16 H17 F3 N2 O3 -","- C64 H68 F12 N8 O12 -","4","1","","Lindsay M. Repka; Jane Ni; Sarah E. Reisman","Enantioselective Synthesis of Pyrroloindolines by a Formal [3 + 2] Cycloaddition Reaction","Journal of the American Chemical Society","2010","132","","14418","14420","10.1021/ja107328g","","","0.71073","MoKα","","0.0757","0.0469","","","0.0737","0.0765","","","","","","1.94","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4103329","6.891","0.003","13.921","0.005","8.2","0.003","90","","105.658","0.006","90","","757.4","0.5","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 O S -","- C18 H22 O S -","- C36 H44 O2 S2 -","2","1","","Jun Hee Lee; Yandong Zhang; Samuel J. Danishefsky","A Straightforward Route to Functionalizedtrans-Diels-Alder Motifs","Journal of the American Chemical Society","2010","132","","14330","14333","10.1021/ja1073855","","","0.71073","MoKα","","0.094","0.058","","","0.1217","0.1368","","","","","","1.024","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103330","10.757","0.003","22.315","0.005","7.0957","0.0016","90","","94.897","0.003","90","","1697.1","0.7","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O2 S -","- C19 H24 O2 S -","- C76 H96 O8 S4 -","4","1","","Jun Hee Lee; Yandong Zhang; Samuel J. Danishefsky","A Straightforward Route to Functionalizedtrans-Diels-Alder Motifs","Journal of the American Chemical Society","2010","132","","14330","14333","10.1021/ja1073855","","","0.71073","MoKα","","0.1757","0.0867","","","0.1657","0.1964","","","","","","1.154","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103331","17.578","0.003","6.3654","0.001","17.405","0.003","90","","110.119","0.002","90","","1828.6","0.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O S -","- C21 H28 O S -","- C84 H112 O4 S4 -","4","1","","Jun Hee Lee; Yandong Zhang; Samuel J. Danishefsky","A Straightforward Route to Functionalizedtrans-Diels-Alder Motifs","Journal of the American Chemical Society","2010","132","","14330","14333","10.1021/ja1073855","","","0.71073","MoKα","","0.049","0.0387","","","0.1076","0.116","","","","","","1.027","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103332","6.7742","0.0017","10.931","0.003","12.355","0.003","100.562","0.004","105.036","0.004","90.395","0.004","867.2","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 O4 S -","- C19 H24 O4 S -","- C38 H48 O8 S2 -","2","1","","Jun Hee Lee; Yandong Zhang; Samuel J. Danishefsky","A Straightforward Route to Functionalizedtrans-Diels-Alder Motifs","Journal of the American Chemical Society","2010","132","","14330","14333","10.1021/ja1073855","","","0.71073","MoKα","","0.0567","0.0414","","","0.1043","0.1123","","","","","","1.063","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103333","10.1764","0.0015","13.225","0.002","13.805","0.002","89.684","0.002","80.014","0.002","89.799","0.002","1829.7","0.5","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F3 N O5 Pd -","- C18 H16 F3 N O5 Pd -","- C72 H64 F12 N4 O20 Pd4 -","4","2","","Yingda Ye; Nicholas D. Ball; Jeff W. Kampf; Melanie S. Sanford","Oxidation of a Cyclometalated Pd(II) Dimer with ""CF3+"": Formation and Reactivity of a Catalytically Competent Monomeric Pd(IV) Aquo Complex","Journal of the American Chemical Society","2010","132","","14682","14687","10.1021/ja107780w","","","0.71073","MoKα","","0.046","0.0426","","","0.1077","0.11","","","","","","1.102","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103334","22.6125","0.0009","10.5065","0.0004","24.5966","0.0012","90","","100.141","0.004","90","","5752.3","0.4","90","2","90","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C59 H75 N2 O2 P2 Si3 Y -","- C59 H75 N2 O2 P2 Si3 Y -","- C236 H300 N8 O8 P8 Si12 Y4 -","4","1","","David P. Mills; Lyndsay Soutar; William Lewis; Alexander J. Blake; Stephen T. Liddle","Regioselective C-H Activation and Sequential C-C and C-O Bond Formation Reactions of Aryl Ketones Promoted by an Yttrium Carbene","Journal of the American Chemical Society","2010","132","","14379","14381","10.1021/ja107958u","","","1.5418","CuKα","","0.0918","0.0884","","","0.259","0.262","","","","","","1.18","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103335","13.2474","0.0004","13.428","0.0004","22.4888","0.0007","73.018","0.003","77.028","0.003","64.946","0.003","3442.5","0.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C77.5 H83 N2 O3 P2 Si3 Y -","- C74 H79 N2 O3 P2 Si3 Y -","- C148 H158 N4 O6 P4 Si6 Y2 -","2","1","","David P. Mills; Lyndsay Soutar; William Lewis; Alexander J. Blake; Stephen T. Liddle","Regioselective C-H Activation and Sequential C-C and C-O Bond Formation Reactions of Aryl Ketones Promoted by an Yttrium Carbene","Journal of the American Chemical Society","2010","132","","14379","14381","10.1021/ja107958u","","","1.54184","CuKα","","0.0603","0.0475","","","0.1179","0.1234","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103336","22.828","0.002","10.4486","0.0011","26.112","0.003","90","","111.67","0.002","90","","5788.1","1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C59 H62 I N2 O2.5 P2 Si2 Y -","- C57 H58 I N2 O2 P2 Si2 Y -","- C228 H232 I4 N8 O8 P8 Si8 Y4 -","4","1","","David P. Mills; Lyndsay Soutar; William Lewis; Alexander J. Blake; Stephen T. Liddle","Regioselective C-H Activation and Sequential C-C and C-O Bond Formation Reactions of Aryl Ketones Promoted by an Yttrium Carbene","Journal of the American Chemical Society","2010","132","","14379","14381","10.1021/ja107958u","","","0.71073","MoKα","","0.0668","0.0496","","","0.124","0.13","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103337","11.3241","0.0003","21.3836","0.0007","23.4444","0.0009","90","","95.25","0.003","90","","5653.2","0.3","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58.25 H72 I N2 O2 P2 Si2 Y -","- C53 H66 I N2 O2 P2 Si2 Y -","- C212 H264 I4 N8 O8 P8 Si8 Y4 -","4","1","","David P. Mills; Lyndsay Soutar; William Lewis; Alexander J. Blake; Stephen T. Liddle","Regioselective C-H Activation and Sequential C-C and C-O Bond Formation Reactions of Aryl Ketones Promoted by an Yttrium Carbene","Journal of the American Chemical Society","2010","132","","14379","14381","10.1021/ja107958u","","","1.5418","CuKα","","0.1029","0.0854","","","0.2126","0.2183","","","","","","1.167","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103338","15.3674","0.0011","19.537","0.0014","15.939","0.0011","90","","95.631","0.002","90","","4762.3","0.6","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 O2 -","- C32 H28 O2 -","- C256 H224 O16 -","8","2","","David P. Mills; Lyndsay Soutar; William Lewis; Alexander J. Blake; Stephen T. Liddle","Regioselective C-H Activation and Sequential C-C and C-O Bond Formation Reactions of Aryl Ketones Promoted by an Yttrium Carbene","Journal of the American Chemical Society","2010","132","","14379","14381","10.1021/ja107958u","","","0.71073","MoKα","","0.0874","0.048","","","0.098","0.1155","","","","","","0.998","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103339","12.801","0.002","7.5878","0.0013","12.977","0.002","90","","107.794","0.002","90","","1200.2","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.0482","0.0399","","","0.1001","0.1062","","","","","","1.06","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103340","13.694","0.002","7.116","0.0012","26.1","0.004","90","","90","","90","","2543.4","0.7","90","","90","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H16 Br N O -","- C14 H16 Br N O -","- C112 H128 Br8 N8 O8 -","8","2","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.0339","0.0292","","","0.0742","0.0865","","","","","","1.026","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103341","16.873","0.0016","11.1054","0.0011","9.3565","0.0009","90","","118.643","0.001","90","","1538.7","0.3","120","","120","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.0285","0.028","","","0.0723","0.0727","","","","","","1.032","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103342","10.1186","0.0011","10.389","0.0011","23.513","0.003","90","","90","","90","","2471.7","0.5","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 N2 O7 -","- C24 H38 N2 O7 -","- C96 H152 N8 O28 -","4","1","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.0433","0.0402","","","0.1018","0.1042","","","","","","1.044","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103343","8.523","0.004","9.727","0.004","15.532","0.006","102.381","0.007","103.948","0.006","90.253","0.006","1218.5","0.9","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H12 Br2 F3 N O -","- C9 H12 Br2 F3 N O -","- C36 H48 Br8 F12 N4 O4 -","4","2","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.1001","0.0648","","","0.1701","0.1965","","","","","","1.023","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103344","8.7129","0.0014","10.4699","0.0016","12.4154","0.0019","90","","92.979","0.002","90","","1131","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Br N O3 -","- C10 H14 Br N O3 -","- C40 H56 Br4 N4 O12 -","4","1","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.1127","0.0955","","","0.1921","0.2007","","","","","","1.138","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103345","7.8838","0.001","14.8491","0.0019","12.2397","0.0016","90","","94.455","0.002","90","","1428.5","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br N O3 -","- C15 H16 Br N O3 -","- C60 H64 Br4 N4 O12 -","4","1","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.0332","0.0257","","","0.0612","0.064","","","","","","1.046","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103346","12.4707","0.0004","12.6792","0.0004","16.9635","0.0005","109.536","0.0018","100.808","0.002","91.254","0.002","2472.61","0.14","193","2","193","2","","","","","","","","10","P -1","-P 1","2","","","","- C50 H48 B Cl2 F4 Fe Ni O2 P3 S2 -","- C50 H48 B Cl2 F4 Fe Ni O2 P3 S2 -","- C100 H96 B2 Cl4 F8 Fe2 Ni2 O4 P6 S4 -","2","1","","Bryan E. Barton; Thomas B. Rauchfuss","Hydride-Containing Models for the Active Site of the Nickel-Iron Hydrogenases","Journal of the American Chemical Society","2010","132","","14877","14885","10.1021/ja105312p","","","0.71073","MoKα","","0.0849","0.0452","","","0.0857","0.0986","","","","","","0.996","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103347","44.3453","0.0008","44.3453","0.0008","44.3453","0.0008","90","","90","","90","","87205","3","95","2","95","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","UMCM-3","","","- C99 H51 O32.5 S3 Zn10 -","- C99 H51 O32.5 S3 Zn10 -","- C792 H408 O260 S24 Zn80 -","8","0.0833333","","Kyoungmoo Koh; Antek G. Wong-Foy; Adam J. Matzger","Coordination Copolymerization Mediated by Zn4O(CO2R)6 Metal Clusters: a Balancing Act between Statistics and Geometry","Journal of the American Chemical Society","2010","132","","15005","15010","10.1021/ja1065009","","","1.5418","CuKα","","0.1032","0.0411","","","0.0893","0.1059","","","","","","0.839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103348","25.0572","0.0005","25.4805","0.0005","32.9266","0.0006","90","","90","","90","","21022.6","0.7","95","2","95","2","","","","","","","","5","P n m a","-P 2ac 2n","62","UMCM-4","","","- C33 H18 N O13 Zn4 -","- C33 H18 N O13 Zn4 -","- C264 H144 N8 O104 Zn32 -","8","1","","Kyoungmoo Koh; Antek G. Wong-Foy; Adam J. Matzger","Coordination Copolymerization Mediated by Zn4O(CO2R)6 Metal Clusters: a Balancing Act between Statistics and Geometry","Journal of the American Chemical Society","2010","132","","15005","15010","10.1021/ja1065009","","","1.54187","CuKα","","0.101","0.0552","","","0.1441","0.1571","","","","","","0.949","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103349","21.3132","0.0007","12.8607","0.0004","25.0256","0.0009","90","","106.462","0.001","90","","6578.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H81.5 B F1.5 Fe N3 -","- C71 H81.5 B F1.5 Fe N3 -","- C284 H326 B4 F6 Fe4 N12 -","4","1","","Aaron M. Tondreau; Carsten Milsmann; Andrew D. Patrick; Helen M. Hoyt; Emil Lobkovsky; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure of Cationic, Neutral, and Anionic Bis(imino)pyridine Iron Alkyl Complexes: Evaluation of Redox Activity in Single-Component Ethylene Polymerization Catalysts","Journal of the American Chemical Society","2010","132","","15046","15059","10.1021/ja106575b","","","0.71073","MoKα","","0.0737","0.0487","","","0.1338","0.1453","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103350","12.5472","0.0017","21.249","0.003","20.871","0.003","90","","92.253","0.004","90","","5560.2","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H84 Fe Li N5 O3 -","- C50 H84 Fe Li N5 O3 -","- C200 H336 Fe4 Li4 N20 O12 -","4","1","","Aaron M. Tondreau; Carsten Milsmann; Andrew D. Patrick; Helen M. Hoyt; Emil Lobkovsky; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure of Cationic, Neutral, and Anionic Bis(imino)pyridine Iron Alkyl Complexes: Evaluation of Redox Activity in Single-Component Ethylene Polymerization Catalysts","Journal of the American Chemical Society","2010","132","","15046","15059","10.1021/ja106575b","","","0.71073","MoKα","","0.0841","0.0562","","","0.1563","0.1693","","","","","","1.104","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103351","18.6102","0.0012","10.5514","0.0007","26.7885","0.0018","90","","109.125","0.002","90","","4970","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H66 B Fe N3 -","- C58 H66 B Fe N3 -","- C232 H264 B4 Fe4 N12 -","4","1","","Aaron M. Tondreau; Carsten Milsmann; Andrew D. Patrick; Helen M. Hoyt; Emil Lobkovsky; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure of Cationic, Neutral, and Anionic Bis(imino)pyridine Iron Alkyl Complexes: Evaluation of Redox Activity in Single-Component Ethylene Polymerization Catalysts","Journal of the American Chemical Society","2010","132","","15046","15059","10.1021/ja106575b","","","0.71073","MoKα","","0.0986","0.0509","","","0.108","0.1253","","","","","","1.012","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103352","10.1812","0.0002","25.7846","0.0006","11.8057","0.0003","90","","101.867","0.001","90","","3032.97","0.12","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N O7 S2 -","- C32 H33 N O7 S2 -","- C128 H132 N4 O28 S8 -","4","1","","Malek Nechab; Damien Campolo; Julien Maury; Patricia Perfetti; Nicolas Vanthuyne; Didier Siri; Michèle P. Bertrand","Memory of Chirality in Cascade Rearrangements of Enediynes","Journal of the American Chemical Society","2010","132","","14742","14744","10.1021/ja106668d","","x-ray","0.71073","MoKα","","0.1602","0.0728","","","0.1962","0.2628","","","","","","1.06","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103353","6.9168","0.0002","17.2861","0.0004","20.1345","0.0007","90","","90","","90","","2407.37","0.12","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O4 S -","- C28 H23 N O4 S -","- C112 H92 N4 O16 S4 -","4","1","","Malek Nechab; Damien Campolo; Julien Maury; Patricia Perfetti; Nicolas Vanthuyne; Didier Siri; Michèle P. Bertrand","Memory of Chirality in Cascade Rearrangements of Enediynes","Journal of the American Chemical Society","2010","132","","14742","14744","10.1021/ja106668d","","x-ray","0.71073","MoKα","","0.1083","0.0569","","","0.1145","0.1339","","","","","","1.082","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103354","12.1663","0.0005","7.4545","0.0002","13.529","0.0007","90","","92.885","0.001","90","","1225.44","0.09","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C28 H27 N O6 S -","- C28 H27 N O6 S -","- C56 H54 N2 O12 S2 -","2","1","","Malek Nechab; Damien Campolo; Julien Maury; Patricia Perfetti; Nicolas Vanthuyne; Didier Siri; Michèle P. Bertrand","Memory of Chirality in Cascade Rearrangements of Enediynes","Journal of the American Chemical Society","2010","132","","14742","14744","10.1021/ja106668d","","x-ray","0.71073","MoKα","","0.1792","0.1177","","","0.1802","0.209","","","","","","1.234","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103355","10.6454","0.0009","19.1241","0.0015","16.5399","0.0013","90","","105.247","0.002","90","","3248.7","0.5","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H44 B I N2 -","- C33 H44 B I N2 -","- C132 H176 B4 I4 N8 -","4","1","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.0656","0.0392","","","0.0963","0.1085","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103356","9.4185","0.0011","13.9059","0.0017","20.077","0.002","90","","98.302","0.002","90","","2602","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 B N5 -","- C27 H38 B N5 -","- C108 H152 B4 N20 -","4","1","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.0816","0.0555","","","0.1349","0.1454","","","","","","1.12","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103357","10.716","0.002","14.021","0.003","18.186","0.003","90","","96.989","0.004","90","","2712.1","0.9","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 B N3 O -","- C28 H38 B N3 O -","- C112 H152 B4 N12 O4 -","4","1","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.107","0.0581","","","0.1326","0.1514","","","","","","0.957","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103358","11.3135","0.0015","13.8029","0.0019","17.92","0.003","90","","93.084","0.003","90","","2794.3","0.7","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 B N3 S -","- C28 H38 B N3 S -","- C112 H152 B4 N12 S4 -","4","1","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.0903","0.0724","","","0.2078","0.2159","","","","","","1.727","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103359","9.4529","0.0009","14.1517","0.0013","19.4564","0.0018","90","","97.994","0.002","90","","2577.5","0.4","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 B N3 O2 -","- C27 H38 B N3 O2 -","- C108 H152 B4 N12 O8 -","4","1","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.0746","0.0523","","","0.1353","0.1494","","","","","","1.148","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103360","9.4489","0.0009","14.8309","0.0014","19.1914","0.0019","90","","98.389","0.002","90","","2660.6","0.4","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 B N3 O2 -","- C27 H38 B N3 O2 -","- C108 H152 B4 N12 O8 -","4","1","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.084","0.0622","","","0.185","0.1946","","","","","","1.576","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103361","10.771","0.004","16.38","0.006","19.418","0.007","89.496","0.006","75.418","0.006","87.161","0.007","3311","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H45 B N2 O3 S -","- C34 H45 B N2 O3 S -","- C136 H180 B4 N8 O12 S4 -","4","2","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.2495","0.0659","","","0.1395","0.1785","","","","","","0.747","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103362","13.4194","0.001","13.9514","0.0011","18.1446","0.0014","90","","94.433","0.002","90","","3386.9","0.5","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 B N6 O2 S -","- C34 H43 B N6 O2 S -","- C136 H172 B4 N24 O8 S4 -","4","1","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.0825","0.057","","","0.1414","0.1561","","","","","","1.183","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103363","10.7146","0.0013","12.8217","0.0016","19.089","0.002","90","","90","","90","","2622.4","0.5","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C27 H35 I N2 -","- C27 H35 I N2 -","- C108 H140 I4 N8 -","4","0.5","","Andrey Solovyev; Qianli Chu; Steven J. Geib; Louis Fensterbank; Max Malacria; Emmanuel Lacôte; Dennis P. Curran","Substitution Reactions at Tetracoordinate Boron: Synthesis of N-Heterocyclic Carbene Boranes with Boron-Heteroatom Bonds","Journal of the American Chemical Society","2010","132","","15072","15080","10.1021/ja107025y","","","0.71073","MoKα","","0.0357","0.0304","","","0.1042","0.1102","","","","","","1.095","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4103364","9.199","0.002","14.76","0.003","31.273","0.007","90","","90","","90","","4246.2","1.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H56 Cl N2 O3 P2 Rh -","- C45 H56 Cl N2 O3 P2 Rh -","- C180 H224 Cl4 N8 O12 P8 Rh4 -","4","1","","Amanda D. Worthy; Candice L. Joe; Thomas E. Lightburn; Kian L. Tan","Application of a Chiral Scaffolding Ligand in Catalytic Enantioselective Hydroformylation","Journal of the American Chemical Society","2010","132","","14757","14759","10.1021/ja107433h","","","0.71073","MoKα","","0.0706","0.0511","","","0.0858","0.0916","","","","","","1.054","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103365","9.0469","0.0012","17.621","0.003","17.863","0.002","99.309","0.002","98.314","0.002","100.804","0.002","2715","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 O4 S2 -","- C32 H34 O4 S2 -","- C128 H136 O16 S8 -","4","2","","Kazunori Sugiyasu; Yoshihito Honsho; Ryan M. Harrison; Akira Sato; Takeshi Yasuda; Shu Seki; Masayuki Takeuchi","A Self-Threading Polythiophene: Defect-Free Insulated Molecular Wires Endowed with Long Effective Conjugation Length","Journal of the American Chemical Society","2010","132","","14754","14756","10.1021/ja107444m","","","0.71073","MoKα","","0.0415","0.036","","","0.0945","0.0994","","","","","","1.028","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103366","21.216","0.004","8.2816","0.0017","13.126","0.003","90","","98.71","0.03","90","","2279.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Al Br Cl4 Sb2 Te2 -","- Al Br Cl4 Sb2 Te2 -","- Al8 Br8 Cl32 Sb16 Te16 -","8","1","","Kanishka Biswas; Qichun Zhang; In Chung; Jung-Hwan Song; John Androulakis; Arthur J. Freeman; Mercouri G. Kanatzidis","Synthesis in Ionic Liquids: [Bi2Te2Br](AlCl4), a Direct Gap Semiconductor with a Cationic Framework","Journal of the American Chemical Society","2010","132","","14760","14762","10.1021/ja107483g","","","0.71073","MoKα","","0.0412","0.0245","","","0.0625","0.068","","","","","","1.012","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103367","21.2247","0.0013","8.4778","0.0003","13.2264","0.001","90","","99.28","0.005","90","","2348.8","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Al Bi2 Br Cl4 Te2 -","- Al Bi2 Br Cl4 Te2 -","- Al8 Bi16 Br8 Cl32 Te16 -","8","1","","Kanishka Biswas; Qichun Zhang; In Chung; Jung-Hwan Song; John Androulakis; Arthur J. Freeman; Mercouri G. Kanatzidis","Synthesis in Ionic Liquids: [Bi2Te2Br](AlCl4), a Direct Gap Semiconductor with a Cationic Framework","Journal of the American Chemical Society","2010","132","","14760","14762","10.1021/ja107483g","","","0.71073","MoKα","","0.0664","0.0435","","","0.1104","0.1229","","","","","","1.055","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103368","14.1339","0.0017","22.245","0.003","6.8288","0.0008","90","","94.726","0.002","90","","2139.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(triaminoguanidiunium) (5Z,5'Z)-4,4'-(ethane-1,2-diyl)bis(5-(nitroimino) -4,5-dihydrotetrazol-1-ide) hydrate","","- C6 H24 N24 O5 -","- C6 H24 N24 O5 -","- C24 H96 N96 O20 -","4","1","","Young-Hyuk Joo; Jean'ne M. Shreeve","Nitroimino-tetrazolates and Oxy-nitroimino-tetrazolates","Journal of the American Chemical Society","2010","132","","15081","15090","10.1021/ja107729c","","","0.71073","MoKα","","0.0713","0.0426","","","0.0951","0.109","","","","","","1.007","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103369","26.767","0.006","4.8803","0.001","10.707","0.002","90","","92.639","0.003","90","","1397.2","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(1,1'-(ethane-1,2-diylbis(oxy))bis(1H-tetrazole-1(4H)-yl-5(4H)-ylidene)) dinitramide dihydrate","","- C4 H10 N12 O8 -","- C4 H10 N12 O8 -","- C16 H40 N48 O32 -","4","0.5","","Young-Hyuk Joo; Jean'ne M. Shreeve","Nitroimino-tetrazolates and Oxy-nitroimino-tetrazolates","Journal of the American Chemical Society","2010","132","","15081","15090","10.1021/ja107729c","","","0.71073","MoKα","","0.0372","0.0317","","","0.088","0.0918","","","","","","1.077","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103370","7.7035","0.0003","10.8458","0.0004","10.9203","0.0004","79.481","0.001","76.778","0.001","77.897","0.001","859.74","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Carbohydrazidium (5E,5'E)-4,4'-(ethane-1,2-diylbis(oxy))bis(5-(nitroimino) -4,5-dihydrotetrazol-1-ide) dihydrate","","- C5 H16 N16 O9 -","- C5 H16 N16 O9 -","- C10 H32 N32 O18 -","2","1","","Young-Hyuk Joo; Jean'ne M. Shreeve","Nitroimino-tetrazolates and Oxy-nitroimino-tetrazolates","Journal of the American Chemical Society","2010","132","","15081","15090","10.1021/ja107729c","","","0.71073","MoKα","","0.037","0.0331","","","0.0853","0.0887","","","","","","1.045","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103371","7.5429","0.0005","8.9642","0.0006","15.2214","0.0011","80.376","0.002","82.322","0.002","77.146","0.002","984.31","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","bis(dihydrazinylmethaniminium) ((5E,5'E)-4,4'-(ethane-1,2-diylbis(oxy)) bis(5-(nitroimino)-4,5-dihydrotetrazol-1-ide))","","- C6 H20 N22 O6 -","- C6 H20 N22 O6 -","- C12 H40 N44 O12 -","2","1","","Young-Hyuk Joo; Jean'ne M. Shreeve","Nitroimino-tetrazolates and Oxy-nitroimino-tetrazolates","Journal of the American Chemical Society","2010","132","","15081","15090","10.1021/ja107729c","","","0.71073","MoKα","","0.0491","0.0383","","","0.0951","0.1024","","","","","","1.057","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103372","14.251","0.002","12.9147","0.0019","11.0418","0.0017","90","","91.008","0.002","90","","2031.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(dihydrazinylmethaniminium) (5Z,5'Z)-4,4'-(ethane-1,2-diyl)bis(5- (nitroimino)-4,5-dihydrotetrazol-1-ide) dihydrate","","- C6 H24 N22 O6 -","- C6 H24 N22 O6 -","- C24 H96 N88 O24 -","4","1","","Young-Hyuk Joo; Jean'ne M. Shreeve","Nitroimino-tetrazolates and Oxy-nitroimino-tetrazolates","Journal of the American Chemical Society","2010","132","","15081","15090","10.1021/ja107729c","","","0.71073","MoKα","","0.0432","0.0341","","","0.0875","0.0945","","","","","","1.05","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103373","11.795","0.0004","12.435","0.0005","21.528","0.0012","90","","97.135","0.002","90","","3133.1","0.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H47 Cl N2 O P2 Ru -","- C31.5 H47 Cl N2 O P2 Ru -","- C126 H188 Cl4 N8 O4 P8 Ru4 -","4","1","","Chidambaram Gunanathan; Boopathy Gnanaprakasam; Mark A. Iron; Linda J. W. Shimon; David Milstein","""Long-Range"" Metal-Ligand Cooperation in H2 Activation and Ammonia-Promoted Hydride Transfer with a Ruthenium-Acridine Pincer Complex","Journal of the American Chemical Society","2010","132","","14763","14765","10.1021/ja107770y","","","0.71073","MoKα","","0.0693","0.0428","","","0.1021","0.1101","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103374","14.941","0.003","12.64","0.003","20.96","0.004","90","","97.94","0.03","90","","3920.4","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H110 N2 O7 P4 Ru2 -","- C86 H110 N2 O6.99 P4 Ru2 -","- C172 H220 N4 O13.98 P8 Ru4 -","2","0.5","","Chidambaram Gunanathan; Boopathy Gnanaprakasam; Mark A. Iron; Linda J. W. Shimon; David Milstein","""Long-Range"" Metal-Ligand Cooperation in H2 Activation and Ammonia-Promoted Hydride Transfer with a Ruthenium-Acridine Pincer Complex","Journal of the American Chemical Society","2010","132","","14763","14765","10.1021/ja107770y","","","0.71073","MoKα","","0.035","0.0266","","","0.0617","0.0685","","","","","","1.079","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103375","15.4003","0.0003","16.0686","0.0002","16.5517","0.0003","67.4337","0.0006","64.9752","0.0006","75.2821","0.0006","3406.59","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H18 F10 N4 O -","- C38 H18 F10 N4 O -","- C152 H72 F40 N16 O4 -","4","2","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.1227","0.058","","","0.1414","0.1621","","","","","","0.914","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103376","17.911","0.004","12.858","0.003","13.559","0.003","90","","110.68","0.03","90","","2921.4","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H20 F6 N4 -","- C37 H20 F6 N4 -","- C148 H80 F24 N16 -","4","1","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.1294","0.057","","","0.1418","0.1616","","","","","","1.034","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103377","14.816","0.003","39.268","0.008","7.422","0.001","90","","104.29","0.03","90","","4184.5","1.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H16 F15 Mn N4 O2 -","- C41 H16 F15 Mn N4 O2 -","- C164 H64 F60 Mn4 N16 O8 -","4","1","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.1466","0.0957","","","0.2615","0.28","","","","","","1.382","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103378","23.237","0.001","7.4218","0.0004","32.1102","0.0016","90","","107.732","0.002","90","","5274.6","0.5","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H8 Br8 F15 Mn N4 O2 -","- C41 H8 Br8 F15 Mn N4 O2 -","- C164 H32 Br32 F60 Mn4 N16 O8 -","4","1","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.1094","0.0542","","","0.1232","0.1363","","","","","","0.953","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103379","11.7695","0.0002","16.4116","0.0003","19.4712","0.0002","90","","90","","90","","3760.99","0.1","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H22 Br4 F5 Mn N4 O2 -","- C41 H22 Br4 F5 Mn N4 O2 -","- C164 H88 Br16 F20 Mn4 N16 O8 -","4","1","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.0447","0.0332","","","0.0705","0.0748","","","","","","0.982","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103380","38.806","0.008","15.342","0.003","14.647","0.003","90","","90","","90","","8720","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H33 Cl6 Mn N4 O4 -","- C45 H33 Cl6 Mn N4 O4 -","- C360 H264 Cl48 Mn8 N32 O32 -","8","1","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.1274","0.0625","","","0.1662","0.1872","","","","","","1.037","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103381","11.1966","0.0002","18.4159","0.0003","24.8914","0.0006","90","","99.9206","0.0006","90","","5055.75","0.17","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H17 Br8 Cl6 Mn N4 O2 -","- C41 H17 Br8 Cl6 Mn N4 O2 -","- C164 H68 Br32 Cl24 Mn4 N16 O8 -","4","1","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.069","0.0452","","","0.1034","0.1095","","","","","","1.043","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103382","12.6988","0.0002","13.4937","0.0002","22.5901","0.0005","90","","95.0013","0.0007","90","","3856.16","0.12","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H25 Cl6 Mn N4 O S -","- C44 H25 Cl6 Mn N4 O S -","- C176 H100 Cl24 Mn4 N16 O4 S4 -","4","1","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.1185","0.0554","","","0.1321","0.1682","","","","","","0.965","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103383","18.9952","0.0005","18.9952","0.0005","11.8778","0.0003","90","","90","","120","","3711.54","0.17","200","2","200","2","","","","","","","","6","P 61","P 61","169","","","","- C21 H29 B F4 N2 Pd -","- C21 H29 B F4 N2 Pd -","- C126 H174 B6 F24 N12 Pd6 -","6","1","","Alison N. Campbell; Paul B. White; Ilia A. Guzei; Shannon S. Stahl","Allylic C-H Acetoxylation with a 4,5-Diazafluorenone-Ligated Palladium Catalyst: A Ligand-Based Strategy To Achieve Aerobic Catalytic Turnover","Journal of the American Chemical Society","2010","132","","15116","15119","10.1021/ja105829t","","","0.71073","MoKα","","0.053","0.0511","","","0.1361","0.137","","","","","","0.973","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103384","13.7592","0.0004","6.5942","0.0002","15.8076","0.0005","90","","90","","90","","1434.24","0.08","100","1","100","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H11 B F4 N2 O Pd -","- C14 H11 B F4 N2 O Pd -","- C56 H44 B4 F16 N8 O4 Pd4 -","4","0.5","","Alison N. Campbell; Paul B. White; Ilia A. Guzei; Shannon S. Stahl","Allylic C-H Acetoxylation with a 4,5-Diazafluorenone-Ligated Palladium Catalyst: A Ligand-Based Strategy To Achieve Aerobic Catalytic Turnover","Journal of the American Chemical Society","2010","132","","15116","15119","10.1021/ja105829t","","","0.71073","MoKα","","0.0205","0.0191","","","0.0481","0.0493","","","","","","0.861","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103385","33.915","0.005","33.915","0.005","59.795","0.008","90","","90","","120","","59563","15","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C236 H616 N104 Ni54 O434 P8 W72 -","- C236 H387.96 N104 Ni54 O434 P8 W72 -","- C708 H1163.88 N312 Ni162 O1302 P24 W216 -","3","0.166667","","Shou-Tian Zheng; Jie Zhang; Xin-Xiong Li; Wei-Hui Fang; Guo-Yu Yang","cubic Polyoxometalate-Organic Molecular Cage","Journal of the American Chemical Society","2010","132","","15102","15103","10.1021/ja105986b","","","0.71073","MoKα","","0.1175","0.0959","","","0.2131","0.2297","","","","","","1.072","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103386","20.4563","0.0033","15.6609","0.0019","14.4447","0.0016","90","","90","","90","","4627.6","1.1","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C32 N8 O15 V3 -","- C32 N8 O15 V3 -","- C128 N32 O60 V12 -","4","1","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","","","","","","","","","","","","","0.97","","","","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103387","6.8285","0.0007","14.5274","0.0018","14.0135","0.0018","90","","90","","90","","1390.1","0.3","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12.6 N0.6 O3 V -","- C12.678 N0.618 O3 V -","- C50.712 N2.472 O12 V4 -","4","0.5","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.0537","","0.97","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103388","6.6387","0.0006","15.761","0.0014","14.1961","0.0014","90","","90","","90","","1485.4","0.2","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C16.09 Al O5 -","- C15.4496 Al O5 -","- C61.7984 Al4 O20 -","4","0.25","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","","","","","","","","","","","","","6.83","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103389","20.276","0.02","7.5323","0.0034","6.76","0.006","90","","100.72","0.11","90","","1014.4","1.5","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11.5 Al O5 -","- C11.5 Al O5 -","- C46 Al4 O20 -","4","1","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","","","","","","","","","","","","","6.83","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103390","6.6424","0.0004","16.0436","0.0011","13.8471","0.001","90","","90","","90","","1475.66","0.17","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C15.45 Al O5 -","- C15.4528 Al O5 -","- C61.8112 Al4 O20 -","4","0.25","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","","","","","","","","","","","","","4.26","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103391","19.806","0.028","7.366","0.005","7.055","0.009","90","","104.36","0.19","90","","997","2","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C16.16 Al O3 -","- C16.4 Al O3 -","- C65.6 Al4 O12 -","4","1","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","","","","","","","","","","","","","4.26","","","","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103392","7.297","0.003","8.506","0.003","21.594","0.008","90","","92.523","0.006","90","","1339","0.9","153.1","","153.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl N3 Pd S -","- C13 H12 Cl N3 Pd S -","- C52 H48 Cl4 N12 Pd4 S4 -","4","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0342","","","","0.0899","","","","","","1.191","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103393","8.645","0.003","9.574","0.003","9.938","0.003","86.455","0.008","87.41","0.009","82.196","0.008","812.8","0.5","150.1","","150.1","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H13 Cl2 N3 O4 Pd S -","- C13 H13 Cl2 N3 O4 Pd S -","- C26 H26 Cl4 N6 O8 Pd2 S2 -","2","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0365","","","","0.0814","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103394","7.2466","0.001","8.687","0.0007","21.727","0.002","90","","92.269","0.005","90","","1366.7","0.3","150.1","","150.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Br N3 Pd S -","- C13 H12 Br N3 Pd S -","- C52 H48 Br4 N12 Pd4 S4 -","4","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0258","","","","0.0649","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103395","32.506","0.005","8.6406","0.0013","21.204","0.004","90","","120.666","0.0015","90","","5122.7","1.5","150.1","","150.1","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Br3 N3 O5 Pd S -","- C22 H20 Br3 N3 O5 Pd S -","- C176 H160 Br24 N24 O40 Pd8 S8 -","8","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0267","","","","0.0591","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103396","9.779","0.002","12.792","0.003","13.927","0.003","97.402","0.002","96.785","0.002","110.977","0.003","1587.6","0.6","250.1","","250.1","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H30 Br3 N3 O8 Pd S -","- C27 H30 Br3 N3 O8 Pd S -","- C54 H60 Br6 N6 O16 Pd2 S2 -","2","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0469","","","","0.1266","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103397","40.443","0.008","8.8478","0.0015","21.617","0.004","90","","117.682","0.0005","90","","6850","2","110.1","","110.1","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Br4 N6 O4 Pd2 S2 -","- C32 H26 Br4 N6 O4 Pd2 S2 -","- C256 H208 Br32 N48 O32 Pd16 S16 -","8","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0338","","","","0.0758","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103398","40.506","0.009","8.8629","0.0016","21.647","0.005","90","0.0005","117.653","0.0008","90","0.0005","6884","3","150.1","","150.1","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Br4 N6 O4 Pd2 S2 -","- C32 H26 Br4 N6 O4 Pd2 S2 -","- C256 H208 Br32 N48 O32 Pd16 S16 -","8","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0356","","","","0.0836","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103399","40.66","0.02","8.883","0.004","21.737","0.011","90","","117.619","0.0018","90","","6956","6","250.1","","250.1","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Br4 N6 O4 Pd2 S2 -","- C32 H26 Br4 N6 O4 Pd2 S2 -","- C256 H208 Br32 N48 O32 Pd16 S16 -","8","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0437","","","","0.1079","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103400","13.98","0.004","4.8149","0.0013","42.22","0.012","90","0.0007","98.1321","0.0008","90","0.0007","2813.3","1.4","150.1","","150.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Br4 N4 O6 Pd S -","- C24 H17.51 Br4 N4 O6 Pd S -","- C96 H70.04 Br16 N16 O24 Pd4 S4 -","4","1","","Atsushi Kobayashi; Masa-aki Dosen; Mee Chang; Kiyohiko Nakajima; Shin-ichiro Noro; Masako Kato","Synthesis of Metal-Hydrazone Complexes and Vapochromic Behavior of Their Hydrogen-Bonded Proton-Transfer Assemblies","Journal of the American Chemical Society","2010","132","","15286","15298","10.1021/ja1063444","","","0.7107","MoKα","","","0.0384","","","","0.067","","","","","","0.857","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103401","10.518","0.002","10.518","0.002","39.449","0.009","90","","90","","90","","4364.2","1.5","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C34 H40 Br2 N6 O13 S2 -","- C34 H40 Br2 N6 O13 S2 -","- C136 H160 Br8 N24 O52 S8 -","4","0.5","","Xianxing Jiang; Yiming Cao; Yiqing Wang; Luping Liu; Fangfang Shen; Rui Wang","A Unique Approach to the Concise Synthesis of Highly Optically Active Spirooxazolines and the Discovery of a More Potent Oxindole-Type Phytoalexin Analogue","Journal of the American Chemical Society","2010","132","","15328","15333","10.1021/ja106349m","","","0.71073","MoKα","","0.2007","0.0924","","","0.2399","0.3173","","","","","","0.975","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103402","19.1703","0.0002","9.7168","0.0001","39.0199","0.0006","90","","115.416","0.001","90","","6564.92","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H55 N3 O2 Zr -","- C33 H55 N3 O2 Zr -","- C264 H440 N24 O16 Zr8 -","8","2","","Laura E. N. Allan; Guy J. Clarkson; David J. Fox; Andrew L. Gott; Peter Scott","Mechanism of Catalytic Cyclohydroamination by Zirconium Salicyloxazoline Complexes","Journal of the American Chemical Society","2010","132","","15308","15320","10.1021/ja106588m","","","0.71073","MoKα","","0.0626","0.0425","","","0.086","0.0903","","","","","","1.017","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103403","13.046","0.0008","14.4943","0.0009","17.9894","0.0012","66.648","0.003","89.161","0.003","65.823","0.003","2804.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H81 Hf2 N4 O4 Si2 -","- C55 H81 Hf2 N4 O4 Si2 -","- C110 H162 Hf4 N8 O8 Si4 -","2","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Functionalization of Hafnium Oxamidide Complexes Prepared from CO-Induced N2 Cleavage","Journal of the American Chemical Society","2010","132","","15340","15350","10.1021/ja106848y","","","0.71073","MoKα","","0.0332","0.0227","","","0.0485","0.0529","","","","","","1.029","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103404","12.0535","0.0004","12.2029","0.0005","19.7494","0.0008","93.492","0.002","93.53","0.002","108.196","0.002","2744.54","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H68 Hf2 N2 O6 Si2 -","- C51 H68 Hf2 N2 O6 Si2 -","- C102 H136 Hf4 N4 O12 Si4 -","2","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Functionalization of Hafnium Oxamidide Complexes Prepared from CO-Induced N2 Cleavage","Journal of the American Chemical Society","2010","132","","15340","15350","10.1021/ja106848y","","","0.71073","MoKα","","0.0407","0.0274","","","0.0615","0.065","","","","","","1.016","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103405","9.5359","0.0005","24.7208","0.0011","10.0763","0.0005","90","","109.167","0.001","90","","2243.66","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20.92 H30 Hf I1.08 N0.92 O0.92 Si -","- C20.9206 H30 Hf I1.0794 N0.9206 O0.9206 Si -","- C83.6824 H120 Hf4 I4.3176 N3.6824 O3.6824 Si4 -","4","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Functionalization of Hafnium Oxamidide Complexes Prepared from CO-Induced N2 Cleavage","Journal of the American Chemical Society","2010","132","","15340","15350","10.1021/ja106848y","","","0.71073","MoKα","","0.0303","0.0265","","","0.0641","0.0656","","","","","","1.027","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103406","17.9895","0.0012","14.7281","0.001","16.9414","0.0011","90","","117.545","0.002","90","","3979.8","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 Hf2 I2 N2 O2 -","- C40 H58 Hf2 I2 N2 O2 -","- C160 H232 Hf8 I8 N8 O8 -","4","1","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Functionalization of Hafnium Oxamidide Complexes Prepared from CO-Induced N2 Cleavage","Journal of the American Chemical Society","2010","132","","15340","15350","10.1021/ja106848y","","","0.71073","MoKα","","0.0651","0.0522","","","0.1403","0.1514","","","","","","1.066","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103407","10.3897","0.0005","16.7816","0.0008","13.2336","0.0005","90","","91.078","0.001","90","","2306.95","0.18","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 Hf2 N2 O2 Si2 -","- C50 H68 Hf2 N2 O2 Si2 -","- C100 H136 Hf4 N4 O4 Si4 -","2","0.5","","Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik","Functionalization of Hafnium Oxamidide Complexes Prepared from CO-Induced N2 Cleavage","Journal of the American Chemical Society","2010","132","","15340","15350","10.1021/ja106848y","","","0.71073","MoKα","","0.0593","0.038","","","0.085","0.0939","","","","","","1.037","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103408","10.6093","0.0006","10.9456","0.0008","20.9242","0.0013","90","","94.074","0.005","90","","2423.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N O2 -","- C27 H33 N O2 -","- C108 H132 N4 O8 -","4","1","","Martin Breugst; Herbert Mayr","Ambident Reactivities of Pyridone Anions","Journal of the American Chemical Society","2010","132","","15380","15389","10.1021/ja106962u","","","0.71073","MoKα","","0.1672","0.0563","","","0.0835","0.1005","","","","","","0.776","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103409","29.6688","0.0005","29.6688","0.0005","72.7125","0.0011","90","","90","","120","","55429.3","1.6","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C192 Cl6 Mn6 N12 O38 Zn8 -","- C192 Cl6 Mn6 N12 O38 Zn8 -","- C1152 Cl36 Mn36 N72 O228 Zn48 -","6","0.333333","","Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin","Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes","Journal of the American Chemical Society","2010","132","","15390","15398","10.1021/ja1069773","","","1.54178","CuKα","","0.2226","0.1484","","","0.376","0.4163","","","","","","1.19","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103410","29.585","0.0005","29.585","0.0005","72.4624","0.0011","90","","90","","120","","54927.1","1.6","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C180 Cl6 Mn6 N12 O38 Zn8 -","- C180 Cl6 Mn6 N12 O38 Zn8 -","- C540 Cl18 Mn18 N36 O114 Zn24 -","3","0.333333","","Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin","Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes","Journal of the American Chemical Society","2010","132","","15390","15398","10.1021/ja1069773","","","1.54178","CuKα","","0.1257","0.0969","","","0.2318","0.2457","","","","","","1.061","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103411","35.8652","0.0019","35.8652","0.0019","87.761","0.008","90","","90","","120","","97764","12","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C204 Cl6 Mn6 N12 O38 Zn8 -","- C204 Cl6 Mn6 N12 O38 Zn8 -","- C1224 Cl36 Mn36 N72 O228 Zn48 -","6","0.333333","","Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin","Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes","Journal of the American Chemical Society","2010","132","","15390","15398","10.1021/ja1069773","","","1.54178","CuKα","","0.1908","0.1271","","","0.2776","0.3102","","","","","","1.149","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103412","35.884","0.0003","35.884","0.0003","87.911","0.002","90","","90","","120","","98034","3","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C204 Cl6 Mn6 N12 O38 Zn8 -","- C204 Cl6 Mn6 N12 O38 Zn8 -","- C612 Cl18 Mn18 N36 O114 Zn24 -","3","0.333333","","Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin","Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes","Journal of the American Chemical Society","2010","132","","15390","15398","10.1021/ja1069773","","","1.54178","CuKα","","0.2022","0.1201","","","0.2983","0.3473","","","","","","0.837","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103413","41.9263","0.0008","41.9263","0.0008","100.286","0.004","90","","90","","120","","152667","7","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C252 Cl6 Mn6 N12 O38 Zn8 -","- C252 Cl6 Mn6 N12 O38 Zn8 -","- C2268 Cl54 Mn54 N108 O342 Zn72 -","9","1","","Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin","Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes","Journal of the American Chemical Society","2010","132","","15390","15398","10.1021/ja1069773","","","1.54178","CuKα","","0.2239","0.1659","","","0.3668","0.3937","","","","","","1.19","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103414","10.062","0.0014","16.959","0.002","11.5926","0.0016","90","","94.095","0.002","90","","1973.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H66 N Ni P2 -","- C42 H66 N Ni P2 -","- C84 H132 N2 Ni2 P4 -","2","1","","Vlad M. Iluc; Gregory L. Hillhouse","Hydrogen-Atom Abstraction from Ni(I) Phosphido and Amido Complexes Gives Phosphinidene and Imide Ligands","Journal of the American Chemical Society","2010","132","","15148","15150","10.1021/ja107115q","","","0.71073","MoKα","","0.0424","0.0403","","","0.0955","0.0965","","","","","","1.01","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103415","10.803","0.002","20.155","0.004","18.138","0.004","90","","93.214","0.004","90","","3943.1","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H65 N Ni P2 -","- C42 H65 N Ni P2 -","- C168 H260 N4 Ni4 P8 -","4","1","","Vlad M. Iluc; Gregory L. Hillhouse","Hydrogen-Atom Abstraction from Ni(I) Phosphido and Amido Complexes Gives Phosphinidene and Imide Ligands","Journal of the American Chemical Society","2010","132","","15148","15150","10.1021/ja107115q","","","0.71073","MoKα","","0.0478","0.0408","","","0.1042","0.108","","","","","","1.039","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103416","17.0288","0.0004","10.595","0.0002","20.455","0.0004","90","","91.0273","0.0008","90","","3689.9","0.13","173.1","","173.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10.5 H26 I2 Ir N3 O0.5 -","- C10.5 H25.5 I2 Ir N3 O0.5 -","- C84 H204 I16 Ir8 N24 O4 -","8","2","","Ryoko Kawahara; Ken-ichi Fujita; Ryohei Yamaguchi","Multialkylation of Aqueous Ammonia with Alcohols Catalyzed by Water-Soluble Cp*Ir-Ammine Complexes","Journal of the American Chemical Society","2010","132","","15108","15111","10.1021/ja107274w","","","0.71075","MoKα","","","0.032","","","","0.0318","","","","","","0.904","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103417","16.8901","0.0002","27.588","0.0004","36.4428","0.0005","90","","102.393","0.001","90","","16585.4","0.4","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H212 Co Cr7 F8 N O36 -","- C122 H212 Co1.04 Cr7.04 F8 N O36 -","- C488 H848 Co4.16 Cr28.16 F32 N4 O144 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.2002","0.1125","","","0.2625","0.3132","","","","","","1.058","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103418","16.8712","0.0003","27.5463","0.0004","36.476","0.0007","90","","102.254","0.001","90","","16565.6","0.5","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C122 H212 Cr8 F8 N O36 -","- C122 H212 Cr8 F8 N O36 -","- C488 H848 Cr32 F32 N4 O144 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.2508","0.1074","","","0.2171","0.265","","","","","","1.18","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103419","18.7556","0.0007","29.0775","0.0011","28.6023","0.0014","90","","100.79","0.002","90","","15322.9","1.1","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H212 Cr7 F8 Mn N O36 -","- C122 H212 Cr7 F8 Mn N O36 -","- C488 H848 Cr28 F32 Mn4 N4 O144 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.2775","0.1071","","","0.2052","0.2691","","","","","","1.107","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103420","18.745","0.0011","29.0923","0.0013","28.525","0.0012","90","","100.458","0.005","90","","15297.3","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H212 Cr7 Cu F8 N O36 -","- C122 H212 Cr7.04 Cu1.04 F8 N O36 -","- C488 H848 Cr28.16 Cu4.16 F32 N4 O144 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","","0.71073","MoKα","","0.127","0.0778","","","0.2125","0.2358","","","","","","0.978","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103421","29.828","0.0009","27.8513","0.0006","32.3305","0.001","90","","90","","90","","26858.5","1.3","150","2","150","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C107 H192 Cr7 F8 Fe N O35 -","- C107 H192.001 Cr7.04 F8 Fe1.04 N O35 -","- C856.004 H1536.01 Cr56.32 F64 Fe8.32 N8 O280 -","8","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.2407","0.1114","","","0.1927","0.244","","","","","","1.228","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103422","16.5136","0.0005","31.3861","0.0007","28.4164","0.0009","90","","94.6221","0.001","90","","14680.3","0.7","100","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C108 H202 Co Cr7 F8 N3 O36.5 -","- C108 H202 Co Cr7 F8 N3 O36.5 -","- C432 H808 Co4 Cr28 F32 N12 O146 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.1826","0.1071","","","0.2301","0.2772","","","","","","1.133","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103423","16.4959","0.0008","31.4557","0.0015","28.2556","0.0013","90","","94.122","0.003","90","","14623.6","1.2","90","2","90","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C107 H203.25 Cr7 F8 N3 Ni O37.25 -","- C107.076 H200.152 Cr7 F8 N3 Ni O37.192 -","- C428.304 H800.608 Cr28 F32 N12 Ni4 O148.768 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.7749","synchrotron","","0.0871","0.0843","","","0.2063","0.2089","","","","","","1.127","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103424","16.5354","0.0004","31.3895","0.0006","28.3451","0.0007","90","","94.254","0.001","90","","14671.7","0.6","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C105 H196 Cr7 F8 Fe N3 O38 -","- C105 H196 Cr7 F8 Fe N3 O38 -","- C420 H784 Cr28 F32 Fe4 N12 O152 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.1955","0.1107","","","0.2499","0.2862","","","","","","1.244","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103425","16.4713","0.0002","31.6375","0.0004","28.1919","0.0005","90","","94.54","0.001","90","","14645","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C110.5 H207.5 Cr7 F8 Mn N3 O37 -","- C110.7 H207.4 Cr7.04 F8 Mn1.04 N3 O37.019 -","- C442.8 H829.6 Cr28.16 F32 Mn4.16 N12 O148.076 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.1405","0.0854","","","0.1962","0.2346","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103426","16.8601","0.0002","32.0521","0.0004","28.403","0.0005","90","","94.249","0.001","90","","15306.8","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C106.5 H200.5 Cr7 Cu F8 N3 O36.5 -","- C106.5 H199 Cr7 Cu F8 N3 O36.5 -","- C426 H796 Cr28 Cu4 F32 N12 O146 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.15","0.091","","","0.2052","0.2423","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103427","16.5125","0.0002","31.3755","0.0004","28.3801","0.0004","90","","94.644","0.001","90","","14655.1","0.3","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C107.25 H200.5 Cr7 F8 N3 O36.5 Zn -","- C108.036 H202.072 Cr7.04 F8 N3 O36.738 Zn1.04 -","- C432.144 H808.288 Cr28.16 F32 N12 O146.952 Zn4.16 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.1105","0.0926","","","0.217","0.2306","","","","","","1.096","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103428","16.8642","0.0002","32.2599","0.0004","28.2099","0.0005","90","","93.79","0.001","90","","15313.7","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C106.5 H199 Cd Cr7 F8 N3 O36 -","- C106.5 H199 Cd Cr7 F8 N3 O36 -","- C426 H796 Cd4 Cr28 F32 N12 O144 -","4","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.1422","0.0877","","","0.2014","0.2391","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103429","70.178","0.004","31.5931","0.0018","31.206","0.002","90","","90","","90","","69188","7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C133 H235 Co Cr7 F8 N2 O38 -","- C133 H235 Co1.04 Cr7.04 F8 N2 O38 -","- C2128 H3760 Co16.64 Cr112.64 F128 N32 O608 -","16","2","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","","0.71073","MoKα","","0.2248","0.1447","","","0.348","0.4002","","","","","","1.261","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103430","14.294","0.0008","13.8238","0.0007","35.2329","0.0017","90","","90","","90","","6961.9","0.6","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O W -","- C19 H25 N O W -","- C304 H400 N16 O16 W16 -","16","2","","Rhett A. Baillie; Tommy Tran; Michelle E. Thibault; Peter Legzdins","A Beneficial Kinetic Effect of an η5-C5Me4H Ligand","Journal of the American Chemical Society","2010","132","","15160","15161","10.1021/ja107834g","","","0.71073","MoKα","","0.0287","0.0253","","","0.0499","0.0508","","","","","","1.287","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103431","8.4341","0.0009","8.4965","0.0009","14.4435","0.0015","85.138","0.005","88.498","0.005","61.891","0.004","909.55","0.17","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 N O W -","- C20 H27 N O W -","- C40 H54 N2 O2 W2 -","2","1","","Rhett A. Baillie; Tommy Tran; Michelle E. Thibault; Peter Legzdins","A Beneficial Kinetic Effect of an η5-C5Me4H Ligand","Journal of the American Chemical Society","2010","132","","15160","15161","10.1021/ja107834g","","","0.71073","MoKα","","0.0397","0.0377","","","0.0872","0.0884","","","","","","1.226","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103432","9.3285","0.0006","15.5488","0.0009","25.2601","0.0016","90","","90","","90","","3663.9","0.4","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H27 N O W -","- C20 H27 N O W -","- C160 H216 N8 O8 W8 -","8","1","","Rhett A. Baillie; Tommy Tran; Michelle E. Thibault; Peter Legzdins","A Beneficial Kinetic Effect of an η5-C5Me4H Ligand","Journal of the American Chemical Society","2010","132","","15160","15161","10.1021/ja107834g","","","0.71073","MoKα","","0.0415","0.027","","","0.0589","0.0646","","","","","","1.01","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103433","6.6773","0.0003","7.5444","0.0003","24.3301","0.001","90","","90","","90","","1225.66","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cl N O3 -","- C12 H10 Cl N O3 -","- C48 H40 Cl4 N4 O12 -","4","1","","Yun-Lin Liu; Bo-Lun Wang; Jun-Jie Cao; Long Chen; Yong-Xue Zhang; Chao Wang; Jian Zhou","Organocatalytic Asymmetric Synthesis of Substituted 3-Hydroxy-2-oxindoles via Morita-Baylis-Hillman Reaction","Journal of the American Chemical Society","2010","132","","15176","15178","10.1021/ja107858z","","","0.71073","MoKα","","0.04","0.0384","","","0.0942","0.0958","","","","","","1.051","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103434","11.2466","0.0002","21.7748","0.0003","13.4453","0.0002","90","","105.571","0.0009","90","","3171.8","0.09","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H104 Si2 -","- C76 H104 Si2 -","- C152 H208 Si4 -","2","0.5","","Megumi Kobayashi; Tsukasa Matsuo; Takeo Fukunaga; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","Air-Stable, Room-Temperature Emissive Disilenes with π-Extended Aromatic Groups","Journal of the American Chemical Society","2010","132","","15162","15163","10.1021/ja108094m","","","0.71073","MoKα","","0.0754","0.0669","","","0.1612","0.1681","","","","","","1.028","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103435","10.937","0.003","11.205","0.003","14.946","0.004","81.849","0.009","78.313","0.01","86.656","0.012","1774.7","0.8","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C86 H116 Si2 -","- C86 H116 Si2 -","- C86 H116 Si2 -","1","0.5","","Megumi Kobayashi; Tsukasa Matsuo; Takeo Fukunaga; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","Air-Stable, Room-Temperature Emissive Disilenes with π-Extended Aromatic Groups","Journal of the American Chemical Society","2010","132","","15162","15163","10.1021/ja108094m","","","0.71073","MoKα","","0.1168","0.0801","","","0.1709","0.1926","","","","","","1.105","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103436","11.4032","0.0011","15.5339","0.0016","21.616","0.002","102.01","0.005","94.551","0.005","109.412","0.006","3486.2","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H62 Cl4 O12 P2 -","- C76 H62 Cl4 O12 P2 -","- C152 H124 Cl8 O24 P4 -","2","1","","Steven Harthong; Béatrice Dubessy; Jérôme Vachon; Christophe Aronica; Jean-Christophe Mulatier; Jean-Pierre Dutasta","Restricted Guest Tumbling in Phosphorylated Self-Assembled Capsules","Journal of the American Chemical Society","2010","132","","15637","15643","10.1021/ja104388t","","","0.71073","MoKα","","0.1955","0.1439","","0.1983","0.1486","0.1418","","","","","","1.1131","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103437","14.634","0.005","15.22","0.005","19.417","0.005","108.272","0.005","100.008","0.005","106.075","0.005","3782","2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C75.5 H67 I0.5 N0.5 O10 P2 -","- C75.5 H67 I0.5 N0.5 O10 P2 -","- C151 H134 I N O20 P4 -","2","1","","Steven Harthong; Béatrice Dubessy; Jérôme Vachon; Christophe Aronica; Jean-Christophe Mulatier; Jean-Pierre Dutasta","Restricted Guest Tumbling in Phosphorylated Self-Assembled Capsules","Journal of the American Chemical Society","2010","132","","15637","15643","10.1021/ja104388t","","","0.71069","MoKα","","0.1734","0.1236","","0.2419","0.1593","0.1593","","","","","","1.1906","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103438","7.4847","0.0016","7.9448","0.0017","23.465","0.005","90","","90","","90","","1395.3","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 Br F6 O2 -","- C13 H9 Br F6 O2 -","- C52 H36 Br4 F24 O8 -","4","1","","Ling Zhou; Chong Kiat Tan; Xiaojian Jiang; Feng Chen; Ying-Yeung Yeung","Asymmetric Bromolactonization Using Amino-thiocarbamate Catalyst","Journal of the American Chemical Society","2010","132","","15474","15476","10.1021/ja1048972","","","0.71073","MoKα","","0.0368","0.0322","","","0.0759","0.0773","","","","","","1.047","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103439","7.0374","0.0013","9.0419","0.0017","15.633","0.003","90","","90","","90","","994.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Br O2 -","- C9 H15 Br O2 -","- C36 H60 Br4 O8 -","4","1","","Ling Zhou; Chong Kiat Tan; Xiaojian Jiang; Feng Chen; Ying-Yeung Yeung","Asymmetric Bromolactonization Using Amino-thiocarbamate Catalyst","Journal of the American Chemical Society","2010","132","","15474","15476","10.1021/ja1048972","","","0.71073","MoKα","","0.0256","0.0241","","","0.0558","0.0563","","","","","","1.047","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103440","8.8346","0.0008","16.5865","0.0015","8.8592","0.0008","90","","98.22","0.002","90","","1284.8","0.2","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 N3 O3 S -","- C28 H31 N3 O3 S -","- C56 H62 N6 O6 S2 -","2","1","","Ling Zhou; Chong Kiat Tan; Xiaojian Jiang; Feng Chen; Ying-Yeung Yeung","Asymmetric Bromolactonization Using Amino-thiocarbamate Catalyst","Journal of the American Chemical Society","2010","132","","15474","15476","10.1021/ja1048972","","","0.71073","MoKα","","0.0623","0.0587","","","0.1502","0.1536","","","","","","1.093","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103441","6.121","0.002","14.951","0.005","23.343","0.005","90","","90","","90","","2136.2","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H0.25 O7.5 -","- C21 H26 O8 -","- C84 H104 O32 -","4","1","","Mélissa Boultadakis-Arapinis; Pascale Lemoine; Serge Turcaud; Laurent Micouin; Thomas Lecourt","Rh(II) Carbene-Promoted Activation of the Anomeric C-H Bond of Carbohydrates: A Stereospecific Entry toward α- and β-Ketopyranosides","Journal of the American Chemical Society","2010","132","","15477","15479","10.1021/ja1054065","","","0.71073","MoKα","","0.1628","0.0411","","","0.0776","0.1038","","","","","","0.899","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103442","10.8813","0.0015","9.4783","0.001","13.659","0.004","90","","111.143","0.015","90","","1313.9","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O10 -","- C25 H34 O10 -","- C50 H68 O20 -","2","1","","Mélissa Boultadakis-Arapinis; Pascale Lemoine; Serge Turcaud; Laurent Micouin; Thomas Lecourt","Rh(II) Carbene-Promoted Activation of the Anomeric C-H Bond of Carbohydrates: A Stereospecific Entry toward α- and β-Ketopyranosides","Journal of the American Chemical Society","2010","132","","15477","15479","10.1021/ja1054065","","","0.71073","MoKα","","0.1376","0.0571","","","0.1167","0.1403","","","","","","0.938","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103443","9.6889","0.0004","10.0184","0.0003","11.8966","0.0004","90","","90","","90","","1154.77","0.07","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Be2 Na5 O57 Si18 -","- Be2.64 Na5.272 O52.5 Si17.364 -","- Be2.64 Na5.272 O52.5 Si17.364 -","1","0.25","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0819","0.075","","","0.2103","0.2191","","","","","","1.091","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103444","9.6631","0.0004","12.2031","0.0004","9.9913","0.0004","90","","90","","90","","1178.17","0.08","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- Be0.25 K0.5 O3.75 Si -","- Be2 K4 O26 Si8 -","- Be4 K8 O52 Si16 -","2","0.25","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0346","0.0325","","","0.0818","0.0833","","","","","","1.137","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103445","13.3184","0.0002","13.3184","0.0002","13.3184","0.0002","90","","90","","90","","2362.41","0.06","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Be Na2 O14 Si5 -","- Be3.144 Na4.336 O28 Si8.856 -","- Be12.576 Na17.344 O112 Si35.424 -","4","0.0833333","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0304","0.0274","","","0.0621","0.0638","","","","","","1.138","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103446","9.8276","0.0004","9.8276","0.0004","9.6372","0.0007","90","","90","","90","","930.78","0.09","293","2","293","2","","","","","","","","4","I -4","I -4","82","","","","- Be12 Na4 O4 Si4 -","- Be6.036 Na4 O16 Si5.964 -","- Be12.072 Na8 O32 Si11.928 -","2","0.25","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0777","0.0723","","","0.189","0.1944","","","","","","1.118","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103447","13.8256","0.0003","13.8256","0.0003","9.7767","0.0002","90","","90","","90","","1868.79","0.07","293","2","293","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C0 H0 Be2 K2 O24 Si6 -","- C7 Be2.30933 K2.66667 O25.3467 Si8.35733 -","- C21 Be6.928 K8 O76.04 Si25.072 -","3","0.1875","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0693","0.0618","","","","0.1665","","","","","","0.961","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103448","8.4812","0.0008","13.7542","0.0007","8.5138","0.0007","90","","109.015","0.003","90","","938.96","0.13","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C0 Be2 K2 Na0 O12 Si4 -","- Be1.34 K2.274 O16 Si6.66 -","- Be2.68 K4.548 O32 Si13.32 -","2","0.5","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.1037","0.0866","","","0.2402","0.2626","","","","","","1.041","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103449","12.7069","0.0009","13.2309","0.0007","13.9362","0.0008","90","","90","","90","","2343","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C0.4 Be1.6 K3.2 N0.4 O12 Si6.4 -","- C2.864 Be1.6 K3.128 N0.672 O16.768 Si6.4 -","- C14.32 Be8 K15.64 N3.36 O83.84 Si32 -","5","0.625","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0973","0.1266","","","0.1574","0.1315","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103450","7.1255","0.0006","7.13","0.0006","15.5209","0.0009","90.315","0.005","90.117","0.005","90.006","0.004","788.52","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C0 H4 Be K O8 Si4 -","- C1.16667 Be0.666667 K1.11 O11.2333 Si4 -","- C3.5 Be2 K3.33 O33.7 Si12 -","3","3","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.1184","0.0981","","","","0.1509","","","","","","1.115","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103451","12.1773","0.0005","7.0903","0.0003","12.8804","0.0004","90","","104.209","0.002","90","","1078.08","0.07","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- Be H2 K2 O8 Si4 -","- Be2.624 H4 K6 O22 Si7.376 -","- Be5.248 H8 K12 O44 Si14.752 -","2","0.5","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0644","0.0574","","","0.1282","0.1346","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103452","7.888","0.0012","8.9681","0.0012","13.264","0.002","87.389","0.007","77.692","0.008","85.503","0.007","913.5","0.2","103","0.1","103","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl Ga N4 O8 -","- C16 H16 Cl Ga N4 O8 -","- C32 H32 Cl2 Ga2 N8 O16 -","2","1","","Eszter Boros; Cara L. Ferreira; Jacqueline F. Cawthray; Eric W. Price; Brian O. Patrick; Dennis W. Wester; Michael J. Adam; Chris Orvig","Acyclic Chelate with Ideal Properties for 68Ga PET Imaging Agent Elaboration","Journal of the American Chemical Society","2010","132","","15726","15733","10.1021/ja106399h","","","0.71073","MoKα","","0.0256","0.0214","","","0.0675","0.0875","","","","","","1.3","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103453","20.317","0.002","14.0298","0.0017","24.06","0.003","90","","98.966","0.002","90","","6774.3","1.4","90","0.1","90","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 Cl Ga N6 O13 -","- C31 H30 Cl Ga N6 O13 -","- C248 H240 Cl8 Ga8 N48 O104 -","8","2","","Eszter Boros; Cara L. Ferreira; Jacqueline F. Cawthray; Eric W. Price; Brian O. Patrick; Dennis W. Wester; Michael J. Adam; Chris Orvig","Acyclic Chelate with Ideal Properties for 68Ga PET Imaging Agent Elaboration","Journal of the American Chemical Society","2010","132","","15726","15733","10.1021/ja106399h","","","0.71073","MoKα","","0.1073","0.0588","","","0.1478","0.167","","","","","","0.958","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103454","24.6269","0.0002","14.3093","0.0002","26.7863","0.0002","90","","91.598","0.001","90","","9435.65","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H149 Mn Mo6 N4 O24 -","- C56 H86.6 Mn Mo6 N4 O24 -","- C224 H346.4 Mn4 Mo24 N16 O96 -","4","1","","Mali H. Rosnes; Chiara Musumeci; Chullikkattil P. Pradeep; Jennifer S. Mathieson; De-Liang Long; Yu-Fei Song; Bruno Pignataro; Richard Cogdell; Leroy Cronin","Assembly of Modular Asymmetric Organic-Inorganic Polyoxometalate Hybrids into Anisotropic Nanostructures","Journal of the American Chemical Society","2010","132","","15490","15492","10.1021/ja1066338","","","1.54184","CuKα","","0.1011","0.0766","","","0.247","0.263","","","","","","1.063","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103455","23.9788","0.0003","16.1403","0.0003","25.4293","0.0003","90","","99.83","0.002","90","","9697.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H160 Mn Mo6 N5 O24 -","- C75.8 H146.6 Mn Mo6 N4.2 O24 -","- C303.2 H586.4 Mn4 Mo24 N16.8 O96 -","4","1","","Mali H. Rosnes; Chiara Musumeci; Chullikkattil P. Pradeep; Jennifer S. Mathieson; De-Liang Long; Yu-Fei Song; Bruno Pignataro; Richard Cogdell; Leroy Cronin","Assembly of Modular Asymmetric Organic-Inorganic Polyoxometalate Hybrids into Anisotropic Nanostructures","Journal of the American Chemical Society","2010","132","","15490","15492","10.1021/ja1066338","","","1.54184","CuKα","","0.0802","0.0539","","","0.1406","0.1584","","","","","","1.04","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103456","51.168","0.005","10.0144","0.001","25.099","0.003","90","","90","","90","","12861","2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C47 H39.5 Cl6 O6.75 -","- C47 H38 Cl6 O6.75 -","- C564 H456 Cl72 O81 -","12","1.5","","Robert M. Fairchild; Akil I. Joseph; K. Travis Holman; Heather A. Fogarty; Thierry Brotin; Jean-Pierre Dutasta; Céline Boutin; Gaspard Huber; Patrick Berthault","A Water-Soluble Xe@cryptophane-111 Complex Exhibits Very High Thermodynamic Stability and a Peculiar 129Xe NMR Chemical Shift","Journal of the American Chemical Society","2010","132","","15505","15507","10.1021/ja1071515","","x-ray","0.71073","MoKα","","0.0702","0.0462","","","0.1074","0.1162","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103457","51.168","0.005","10.0144","0.001","25.099","0.003","90","","90","","90","","12861","2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C47 H38 Cl6 O6 -","- C47 H38 Cl6 O6 -","- C564 H456 Cl72 O72 -","12","1.5","","Robert M. Fairchild; Akil I. Joseph; K. Travis Holman; Heather A. Fogarty; Thierry Brotin; Jean-Pierre Dutasta; Céline Boutin; Gaspard Huber; Patrick Berthault","A Water-Soluble Xe@cryptophane-111 Complex Exhibits Very High Thermodynamic Stability and a Peculiar 129Xe NMR Chemical Shift","Journal of the American Chemical Society","2010","132","","15505","15507","10.1021/ja1071515","","x-ray","0.71073","MoKα","","0.0676","0.0468","","","0.1006","0.1087","","","","","","1.063","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103458","25.8474","0.0012","18.9252","0.0009","17.7103","0.0016","90","","125.01","","90","","7095.7","0.8","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C129 H158 F18 N9 O45 Ru6 S6 -","- C113 H128 F18 O27 Ru6 S6 -","- C226 H256 F36 O54 Ru12 S12 -","2","0.25","","Robert M. Fairchild; Akil I. Joseph; K. Travis Holman; Heather A. Fogarty; Thierry Brotin; Jean-Pierre Dutasta; Céline Boutin; Gaspard Huber; Patrick Berthault","A Water-Soluble Xe@cryptophane-111 Complex Exhibits Very High Thermodynamic Stability and a Peculiar 129Xe NMR Chemical Shift","Journal of the American Chemical Society","2010","132","","15505","15507","10.1021/ja1071515","","","0.71073","MoKα","","0.065","0.0587","","","0.1654","0.1717","","","","","","1.049","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103459","30.5806","0.0007","30.5806","0.0007","68.5594","0.0015","90","","90","","90","","64115","3","120","2","120","2","","","","","","","synthesis as described","4","I 41/a :2","-I 4ad","88","","CpFeMe5C60MeAr5","","- C181 H198 Fe Si5 -","- C146 H111 Fe Si5 -","- C2336 H1776 Fe16 Si80 -","16","1","","Chang-Zhi Li; Yutaka Matsuo; Eiichi Nakamura","Octupole-like Supramolecular Aggregates of Conical Iron Fullerene Complexes into a Three-Dimensional Liquid Crystalline Lattice","Journal of the American Chemical Society","2010","132","","15514","15515","10.1021/ja1073933","","","0.71075","MoKα","","0.2529","0.1418","","","0.3524","0.3835","","","","","","1.815","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103460","8.9439","0.0003","8.9439","0.0003","18.6755","0.0006","90","","90","","90","","1493.92","0.09","123","2","123","2","","","","","","","synthesis as described","5","I 4/m m m","-I 4 2","139","NiTetI2","","","- C24 H32 I2 N8 Ni -","- C24 I2 N8 Ni -","- C48 I4 N16 Ni2 -","2","0.0625","","Neil J. Findlay; Stuart R. Park; Franziska Schoenebeck; Elise Cahard; Sheng-ze Zhou; Leonard E. A. Berlouis; Mark D. Spicer; Tell Tuttle; John A. Murphy","Reductions of Challenging Organic Substrates by a Nickel Complex of a Noninnocent Crown Carbene Ligand","Journal of the American Chemical Society","2010","132","","15462","15464","10.1021/ja107703n","","x-ray","0.71073","MoKα","","0.0315","0.029","","","0.081","0.0824","","","","","","1.166","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103461","7.112","0.0001","12.9684","0.001","16.4161","0.0002","90","","90","","90","","1514.08","0.12","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C60 H72 N8 O20 -","4","1","","Yuan-Qing Fang; Matthew M. Bio; Karl B. Hansen; Matthew S. Potter; Andrew Clausen","Magnesium Coordination-Directed N-Selective Stereospecific Alkylation of 2-Pyridones, Carbamates, and Amides Using α-Halocarboxylic Acids","Journal of the American Chemical Society","2010","132","","15525","15527","10.1021/ja107709w","","x-ray","1.54178","CuKα","","0.0262","0.0255","","","0.0626","0.0629","","","","","","0.983","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103462","5.4414","0.0002","9.7195","0.0005","16.8074","0.0006","90","","90","","90","","888.9","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Br N O3 -","- C8 H8 Br N O3 -","- C32 H32 Br4 N4 O12 -","4","1","","Yuan-Qing Fang; Matthew M. Bio; Karl B. Hansen; Matthew S. Potter; Andrew Clausen","Magnesium Coordination-Directed N-Selective Stereospecific Alkylation of 2-Pyridones, Carbamates, and Amides Using α-Halocarboxylic Acids","Journal of the American Chemical Society","2010","132","","15525","15527","10.1021/ja107709w","","x-ray","1.54178","CuKα","","0.0267","0.0264","","","0.0688","0.0689","","","","","","1.071","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103463","10.0655","0.0007","10.9316","0.0008","23.7249","0.0017","90","","90","","90","","2610.5","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H24 Br N O3 -","- C33 H24 Br N O3 -","- C132 H96 Br4 N4 O12 -","4","1","","Barry M. Trost; Lara C. Czabaniuk","Palladium-Catalyzed Asymmetric Benzylation of 3-Aryl Oxindoles","Journal of the American Chemical Society","2010","132","","15534","15536","10.1021/ja1079755","","","0.71073","MoKα","","0.0325","0.0258","","","0.0562","0.0579","","","","","","1.027","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103464","8.3125","0.0017","8.8541","0.0018","15.564","0.003","84.9","0.03","86.31","0.03","81.66","0.03","1127.4","0.4","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H35 B10 Li N2 O2 -","- C13 H35 B10 Li N2 O2 -","- C26 H70 B20 Li2 N4 O4 -","2","1","","Peter Dröse; Cristian G. Hrib; Frank T. Edelmann","Carboranylamidinates","Journal of the American Chemical Society","2010","132","","15540","15541","10.1021/ja108051u","","","0.71073","MoKα","","0.0615","0.045","","","0.1012","0.1084","","","","","","1.043","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103465","6.9667","0.0014","15.763","0.003","15.394","0.003","90","","99.95","0.03","90","","1665.1","0.6","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H26 B10 N2 -","- C9 H26 B10 N2 -","- C36 H104 B40 N8 -","4","1","","Peter Dröse; Cristian G. Hrib; Frank T. Edelmann","Carboranylamidinates","Journal of the American Chemical Society","2010","132","","15540","15541","10.1021/ja108051u","","","0.71073","MoKα","","0.1007","0.0729","","","0.1315","0.14","","","","","","1.184","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103466","22.79","0.005","7.8311","0.0016","19.215","0.004","90","","101.3","0.03","90","","3362.8","1.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H48 B20 N4 Sn -","- C18 H50 B20 N4 Sn -","- C72 H200 B80 N16 Sn4 -","4","0.5","","Peter Dröse; Cristian G. Hrib; Frank T. Edelmann","Carboranylamidinates","Journal of the American Chemical Society","2010","132","","15540","15541","10.1021/ja108051u","","","0.71073","MoKα","","0.0493","0.0386","","","0.078","0.0806","","","","","","1.085","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103467","13.749","0.003","8.1504","0.0016","15.296","0.003","90","","103.1","0.03","90","","1669.5","0.6","133","2","133","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H50 B20 Cr N4 -","- C18 H50 B20 Cr N4 -","- C36 H100 B40 Cr2 N8 -","2","0.5","","Peter Dröse; Cristian G. Hrib; Frank T. Edelmann","Carboranylamidinates","Journal of the American Chemical Society","2010","132","","15540","15541","10.1021/ja108051u","","","0.71073","MoKα","","0.082","0.0621","","","0.128","0.136","","","","","","1.104","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103468","10.378","0.002","11.887","0.002","15.418","0.003","90","","103.29","0.03","90","","1851.1","0.6","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H50 B20 Cl2 Cr2 N4 -","- C18 H50 B20 Cl2 Cr2 N4 -","- C36 H100 B40 Cl4 Cr4 N8 -","2","0.5","","Peter Dröse; Cristian G. Hrib; Frank T. Edelmann","Carboranylamidinates","Journal of the American Chemical Society","2010","132","","15540","15541","10.1021/ja108051u","","","0.71073","MoKα","","0.049","0.0414","","","0.0896","0.0924","","","","","","1.208","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103469","18.571","0.009","30.944","0.016","47.85","0.02","83.515","0.006","87.051","0.006","89.237","0.006","27285","2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C366 H438 Au18 N97.5 O189.5 Pd12 -","- C366 H438 Au18 N97.626 O188.373 Pd12 -","- C732 H876 Au36 N195.252 O376.746 Pd24 -","2","1","","Takafumi Osuga; Takashi Murase; Kosuke Ono; Yoshihiro Yamauchi; Makoto Fujita","[mxn] Metal Ion Arrays Templated by Coordination Cages","Journal of the American Chemical Society","2010","132","","15553","15555","10.1021/ja108367j","","","0.71073","MoKα","","0.241","0.1331","","","0.2875","0.3523","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103470","14.5849","0.0011","16.2575","0.0012","18.6167","0.0014","83.672","0.001","77.027","0.001","67.087","0.001","3960.9","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H74 B3 K N6 O18 -","- C76 H74 B3 K N6 O18 -","- C152 H148 B6 K2 N12 O36 -","2","1","","Hiroshi Danjo; Kadzuya Hirata; Masanori Noda; Susumu Uchiyama; Kiichi Fukui; Masatoshi Kawahata; Isao Azumaya; Kentaro Yamaguchi; Toshifumi Miyazawa","Assembly Modulation by Adjusting Countercharges of Heterobimetallic Supramolecular Polymers Composed of Tris(spiroborate) Twin Bowls","Journal of the American Chemical Society","2010","132","","15556","15558","10.1021/ja1084964","","","0.71073","MoKα","","0.1845","0.1471","","","0.4174","0.4483","","","","","","1.792","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103471","14.1442","0.001","15.7549","0.0011","18.3915","0.0013","84.767","0.001","79.563","0.001","70.997","0.001","3808.6","0.5","150","","150","","","","","","","","","6","P 1","P 1","1","","","","- C157 H153 B6 Ba2 N13 O35 -","- C157 H153 B6 Ba2 N13 O35 -","- C157 H153 B6 Ba2 N13 O35 -","1","1","","Hiroshi Danjo; Kadzuya Hirata; Masanori Noda; Susumu Uchiyama; Kiichi Fukui; Masatoshi Kawahata; Isao Azumaya; Kentaro Yamaguchi; Toshifumi Miyazawa","Assembly Modulation by Adjusting Countercharges of Heterobimetallic Supramolecular Polymers Composed of Tris(spiroborate) Twin Bowls","Journal of the American Chemical Society","2010","132","","15556","15558","10.1021/ja1084964","","","0.71073","MoKα","","0.0653","0.0605","","","0.1792","0.1867","","","","","","1.034","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103472","14.907","0.003","22.538","0.005","33.355","0.007","90","","92.36","0.03","90","","11197","4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C127 H131 B3 Fe K N9 O16 -","- C127 H131 B3 Fe K N9 O16 -","- C508 H524 B12 Fe4 K4 N36 O64 -","4","1","","Hiroshi Danjo; Kadzuya Hirata; Masanori Noda; Susumu Uchiyama; Kiichi Fukui; Masatoshi Kawahata; Isao Azumaya; Kentaro Yamaguchi; Toshifumi Miyazawa","Assembly Modulation by Adjusting Countercharges of Heterobimetallic Supramolecular Polymers Composed of Tris(spiroborate) Twin Bowls","Journal of the American Chemical Society","2010","132","","15556","15558","10.1021/ja1084964","","","0.7","synchrotron","","0.0868","0.0744","","","0.24","0.2501","","","","","","1.958","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103473","11.4466","0.0019","5.1362","0.0009","15.956","0.003","90","","108.778","0.002","90","","888.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O8 V2 -","- C18 H18 O8 V2 -","- C36 H36 O16 V4 -","2","0.5","","Pabitra Baran Chatterjee; Anandalok Audhya; Subhajit Bhattacharya; Sk Md Towsif Abtab; Kisholoy Bhattacharya; Muktimoy Chaudhury","Single Crystal-to-Single Crystal Irreversible Transformation from a Discrete Vanadium(V)-Alcoholate to an Aldehydic-Vanadium(IV) Oligomer","Journal of the American Chemical Society","2010","132","","15842","15845","10.1021/ja103451j","","","0.71073","MoKα","","0.0543","0.0386","","","0.1056","0.1132","","","","","","1.089","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103474","11.451","0.002","5.152","0.0011","15.93","0.003","90","","108.564","0.002","90","","890.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O8 V2 -","- C18 H18 O8 V2 -","- C36 H36 O16 V4 -","2","0.5","","Pabitra Baran Chatterjee; Anandalok Audhya; Subhajit Bhattacharya; Sk Md Towsif Abtab; Kisholoy Bhattacharya; Muktimoy Chaudhury","Single Crystal-to-Single Crystal Irreversible Transformation from a Discrete Vanadium(V)-Alcoholate to an Aldehydic-Vanadium(IV) Oligomer","Journal of the American Chemical Society","2010","132","","15842","15845","10.1021/ja103451j","","","0.71073","MoKα","","0.0558","0.0401","","","0.1128","0.1237","","","","","","1.021","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103475","11.4291","0.0008","5.1473","0.0004","15.9034","0.0012","90","","108.513","0.002","90","","887.17","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O8 V2 -","- C18 H18 O8 V2 -","- C36 H36 O16 V4 -","2","0.5","","Pabitra Baran Chatterjee; Anandalok Audhya; Subhajit Bhattacharya; Sk Md Towsif Abtab; Kisholoy Bhattacharya; Muktimoy Chaudhury","Single Crystal-to-Single Crystal Irreversible Transformation from a Discrete Vanadium(V)-Alcoholate to an Aldehydic-Vanadium(IV) Oligomer","Journal of the American Chemical Society","2010","132","","15842","15845","10.1021/ja103451j","","","0.71073","MoKα","","0.0533","0.0407","","","0.1181","0.1276","","","","","","1","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103476","11.4179","0.0017","5.1652","0.0008","15.935","0.002","90","","108.046","0.004","90","","893.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O8 V2 -","- C18 H16 O8 V2 -","- C36 H32 O16 V4 -","2","0.5","","Pabitra Baran Chatterjee; Anandalok Audhya; Subhajit Bhattacharya; Sk Md Towsif Abtab; Kisholoy Bhattacharya; Muktimoy Chaudhury","Single Crystal-to-Single Crystal Irreversible Transformation from a Discrete Vanadium(V)-Alcoholate to an Aldehydic-Vanadium(IV) Oligomer","Journal of the American Chemical Society","2010","132","","15842","15845","10.1021/ja103451j","","","0.71073","MoKα","","0.0891","0.062","","","0.1655","0.1866","","","","","","1.336","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103477","11.4247","0.0015","5.1604","0.0007","15.958","0.002","90","","108.061","0.004","90","","894.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O8 V2 -","- C18 H16 O8 V2 -","- C36 H32 O16 V4 -","2","0.5","","Pabitra Baran Chatterjee; Anandalok Audhya; Subhajit Bhattacharya; Sk Md Towsif Abtab; Kisholoy Bhattacharya; Muktimoy Chaudhury","Single Crystal-to-Single Crystal Irreversible Transformation from a Discrete Vanadium(V)-Alcoholate to an Aldehydic-Vanadium(IV) Oligomer","Journal of the American Chemical Society","2010","132","","15842","15845","10.1021/ja103451j","","","0.71073","MoKα","","0.0871","0.0667","","","0.1831","0.1967","","","","","","1.492","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103478","11.4308","0.0016","5.1524","0.0008","15.995","0.002","90","","108.073","0.004","90","","895.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O8 V2 -","- C18 H16 O8 V2 -","- C36 H32 O16 V4 -","2","0.5","","Pabitra Baran Chatterjee; Anandalok Audhya; Subhajit Bhattacharya; Sk Md Towsif Abtab; Kisholoy Bhattacharya; Muktimoy Chaudhury","Single Crystal-to-Single Crystal Irreversible Transformation from a Discrete Vanadium(V)-Alcoholate to an Aldehydic-Vanadium(IV) Oligomer","Journal of the American Chemical Society","2010","132","","15842","15845","10.1021/ja103451j","","","0.71073","MoKα","","0.1194","0.0893","","","0.2746","0.311","","","","","","1.092","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103479","11.4295","0.0014","5.1454","0.0006","16.0003","0.0019","90","","108.084","0.003","90","","894.49","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O8 V2 -","- C18 H16 O8 V2 -","- C36 H32 O16 V4 -","2","0.5","","Pabitra Baran Chatterjee; Anandalok Audhya; Subhajit Bhattacharya; Sk Md Towsif Abtab; Kisholoy Bhattacharya; Muktimoy Chaudhury","Single Crystal-to-Single Crystal Irreversible Transformation from a Discrete Vanadium(V)-Alcoholate to an Aldehydic-Vanadium(IV) Oligomer","Journal of the American Chemical Society","2010","132","","15842","15845","10.1021/ja103451j","","","0.71073","MoKα","","0.1166","0.0924","","","0.2796","0.3185","","","","","","1.061","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103480","24.538","0.003","28.186","0.003","18.9595","0.0019","90","","129.526","0.001","90","","10114.5","1.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H76 Cl4 Cu F6 N4 P -","- C110 H76 Cl4 Cu F6 N4 P -","- C440 H304 Cl16 Cu4 F24 N16 P4 -","4","0.5","","Sanaz Kabehie; Mei Xue; Adam Z. Stieg; Monty Liong; Kang L. Wang; Jeffrey I. Zink","Heteroleptic Copper Switches","Journal of the American Chemical Society","2010","132","","15987","15996","10.1021/ja103937v","","","0.71073","MoKα","","0.0822","0.0574","","","0.1683","0.1807","","","","","","1.034","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103481","17.387","0.0004","10.5216","0.0002","17.295","0.0004","90","","96.608","0.001","90","","3142.91","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","GdDdtc3Bipy","","","- C25 H38 Gd N5 S6 -","- C25 H38 Gd N5 S6 -","- C100 H152 Gd4 N20 S24 -","4","1","","Rachel S. Selinsky; Jae Hyo Han; Elvin A. Morales Pérez; Ilia A. Guzei; Song Jin","Synthesis and Magnetic Properties of Gd Doped EuS Nanocrystals with Enhanced Curie Temperatures","Journal of the American Chemical Society","2010","132","","15997","16005","10.1021/ja104314c","","","1.54178","Cu-Kα","","0.0231","0.0227","","","0.0587","0.059","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103482","18.2696","0.0016","17.3678","0.0015","26.635","0.002","90","","90","","90","","8451.4","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","EuPytc3Bipy","","","- C28 H35 Cl9 Eu N5 S6 -","- C28 H35 Cl9 Eu N5 S6 -","- C224 H280 Cl72 Eu8 N40 S48 -","8","1","","Rachel S. Selinsky; Jae Hyo Han; Elvin A. Morales Pérez; Ilia A. Guzei; Song Jin","Synthesis and Magnetic Properties of Gd Doped EuS Nanocrystals with Enhanced Curie Temperatures","Journal of the American Chemical Society","2010","132","","15997","16005","10.1021/ja104314c","","","0.71073","Mo-Kα","","0.0626","0.0363","","","0.0903","0.1093","","","","","","0.962","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103483","17.4375","0.0005","15.3706","0.0004","13.7483","0.0003","90","","92.703","0.002","90","","3680.79","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","EuPipdc3Bipy","","","- C29 H39 Cl3 Eu N5 S6 -","- C29 H39 Cl3 Eu N5 S6 -","- C116 H156 Cl12 Eu4 N20 S24 -","4","1","","Rachel S. Selinsky; Jae Hyo Han; Elvin A. Morales Pérez; Ilia A. Guzei; Song Jin","Synthesis and Magnetic Properties of Gd Doped EuS Nanocrystals with Enhanced Curie Temperatures","Journal of the American Chemical Society","2010","132","","15997","16005","10.1021/ja104314c","","","1.54178","Cu-Kα","","0.0612","0.0511","","","0.1232","0.1356","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103484","10.9505","0.0003","13.0006","0.0004","18.4281","0.0005","99.158","0.002","95.478","0.002","103.997","0.002","2488.44","0.13","103","2","103","2","","","","","","","","6","P -1","-P 1","2","EuMpipdc3Phen","","","- C36 H47 Cl9 Eu N5 S6 -","- C35.999 H46.999 Cl8.997 Eu N5 S6 -","- C71.998 H93.998 Cl17.994 Eu2 N10 S12 -","2","1","","Rachel S. Selinsky; Jae Hyo Han; Elvin A. Morales Pérez; Ilia A. Guzei; Song Jin","Synthesis and Magnetic Properties of Gd Doped EuS Nanocrystals with Enhanced Curie Temperatures","Journal of the American Chemical Society","2010","132","","15997","16005","10.1021/ja104314c","","","1.54178","CuKα","","0.0629","0.0573","","","0.1497","0.1548","","","","","","1.09","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103485","18.2665","0.0013","17.3854","0.0012","26.6725","0.0019","90","","90","","90","","8470.4","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","GdPytc3Bipy","","- C28 H35 Cl9 Gd N5 S6 -","- C28 H35 Cl9 Gd N5 S6 -","- C224 H280 Cl72 Gd8 N40 S48 -","8","1","","Rachel S. Selinsky; Jae Hyo Han; Elvin A. Morales Pérez; Ilia A. Guzei; Song Jin","Synthesis and Magnetic Properties of Gd Doped EuS Nanocrystals with Enhanced Curie Temperatures","Journal of the American Chemical Society","2010","132","","15997","16005","10.1021/ja104314c","","","0.71073","Mo-Kα","","0.0357","0.0264","","","0.0642","0.0749","","","","","","0.947","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103486","9.0725","0.0009","14.2346","0.0013","14.3882","0.0013","90","","102.88","0.007","90","","1811.4","0.3","223.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H13 F6 Ir N3 O3 P -","- C15 H13 F6 Ir N3 O3 P -","- C60 H52 F24 Ir4 N12 O12 P4 -","4","2","","James D. Blakemore; Nathan D. Schley; David Balcells; Jonathan F. Hull; Gerard W. Olack; Christopher D. Incarvito; Odile Eisenstein; Gary W. Brudvig; Robert H. Crabtree","Half-Sandwich Iridium Complexes for Homogeneous Water-Oxidation Catalysis","Journal of the American Chemical Society","2010","132","","16017","16029","10.1021/ja104775j","","","0.71075","MoKα","","","0.0504","","","","0.0823","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103487","12.516","0.005","12.003","0.005","7.566","0.003","90","","90","","90","","1136.6","0.8","223.1","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H11 I2 Ir O S -","- C7 H11 I2 Ir O S -","- C28 H44 I8 Ir4 O4 S4 -","4","1","","James D. Blakemore; Nathan D. Schley; David Balcells; Jonathan F. Hull; Gerard W. Olack; Christopher D. Incarvito; Odile Eisenstein; Gary W. Brudvig; Robert H. Crabtree","Half-Sandwich Iridium Complexes for Homogeneous Water-Oxidation Catalysis","Journal of the American Chemical Society","2010","132","","16017","16029","10.1021/ja104775j","","","0.71075","MoKα","","","0.0201","","","","0.04","","","","","","0.963","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103488","9.195","0.002","14.501","0.004","15.944","0.004","87.066","0.006","86.709","0.005","82.824","0.006","2103.7","0.9","223.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H35 Cl2 Ir N2 O2 -","- C16 H35 Cl2 Ir N2 O2 -","- C64 H140 Cl8 Ir4 N8 O8 -","4","2","","James D. Blakemore; Nathan D. Schley; David Balcells; Jonathan F. Hull; Gerard W. Olack; Christopher D. Incarvito; Odile Eisenstein; Gary W. Brudvig; Robert H. Crabtree","Half-Sandwich Iridium Complexes for Homogeneous Water-Oxidation Catalysis","Journal of the American Chemical Society","2010","132","","16017","16029","10.1021/ja104775j","","","0.71075","MoKα","","","0.0344","","","","0.066","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103489","10.7369","0.0007","12.7746","0.0009","13.1044","0.0009","108.229","0.0014","104.709","0.0015","94.1493","0.0015","1628.55","0.19","223.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 I Ir N3 O3 -","- C15 H13 I Ir N3 O3 -","- C60 H52 I4 Ir4 N12 O12 -","4","2","","James D. Blakemore; Nathan D. Schley; David Balcells; Jonathan F. Hull; Gerard W. Olack; Christopher D. Incarvito; Odile Eisenstein; Gary W. Brudvig; Robert H. Crabtree","Half-Sandwich Iridium Complexes for Homogeneous Water-Oxidation Catalysis","Journal of the American Chemical Society","2010","132","","16017","16029","10.1021/ja104775j","","","0.71075","MoKα","","","0.0396","","","","0.0734","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103490","11.4329","0.0014","16.816","0.002","32.393","0.004","90","","90","","90","","6227.7","1.3","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C65 H72 Br2 Cl2 N4 O4 S2 -","- C65 H72 Br2 Cl2 N4 O4 S2 -","- C260 H288 Br8 Cl8 N16 O16 S8 -","4","1","","Tomoya Miura; Masao Morimoto; Masahiro Murakami","Enantioselective [2 + 2 + 2] Cycloaddition Reaction of Isocyanates and Allenes Catalyzed by Nickel","Journal of the American Chemical Society","2010","132","","15836","15838","10.1021/ja105541r","","","0.71075","MoKα","","0.1013","0.0785","","","0.1947","0.2101","","","","","","1.077","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103491","21.7968","0.0012","13.1593","0.0007","13.3171","0.0007","90","","99.185","0.003","90","","3770.8","0.4","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Cu2 N6 -","- C48 H36 Cu2 N6 -","- C192 H144 Cu8 N24 -","4","0.5","","Ramesh Giri; John F. Hartwig","Cu(I)-Amido Complexes in the Ullmann Reaction: Reactions of Cu(I)-Amido Complexes with Iodoarenes with and without Autocatalysis by CuI","Journal of the American Chemical Society","2010","132","","15860","15863","10.1021/ja105695s","","","0.71073","MoKα","","0.0512","0.0304","","","0.0688","0.0778","","","","","","1.056","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103492","10.4811","0.0009","25.167","0.002","18.0748","0.0014","90","","100.536","0.003","90","","4687.3","0.7","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H44 Cu K N8 -","- C60 H44 Cu K N8 -","- C240 H176 Cu4 K4 N32 -","4","1","","Ramesh Giri; John F. Hartwig","Cu(I)-Amido Complexes in the Ullmann Reaction: Reactions of Cu(I)-Amido Complexes with Iodoarenes with and without Autocatalysis by CuI","Journal of the American Chemical Society","2010","132","","15860","15863","10.1021/ja105695s","","","0.71073","MoKα","","0.0594","0.0412","","","0.1041","0.1124","","","","","","1.098","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4103493","6.0303","0.0012","6.5098","0.0013","8.3072","0.0016","112.082","0.002","96.667","0.003","108.792","0.003","275.42","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H6 Cl4 O4 Tc2 -","- C4 H6 Cl4 O4 Tc2 -","- C4 H6 Cl4 O4 Tc2 -","1","0.5","","Frederic Poineau; Erik V. Johnstone; Philippe F. Weck; Eunja Kim; Paul M. Forster; Brian L. Scott; Alfred P. Sattelberger; Kenneth R. Czerwinski","Synthesis and Structure of Technetium Trichloride","Journal of the American Chemical Society","2010","132","","15864","15865","10.1021/ja105730e","","","0.71073","MoKα","","0.0279","0.0256","","","0.0689","0.0699","","","","","","1.079","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103494","10.1035","0.0019","10.1035","0.0019","20.12","0.008","90","","90","","120","","1778.7","0.9","140","1","140","1","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cl3 Tc -","- Cl3 Tc -","- Cl54 Tc18 -","18","0.5","","Frederic Poineau; Erik V. Johnstone; Philippe F. Weck; Eunja Kim; Paul M. Forster; Brian L. Scott; Alfred P. Sattelberger; Kenneth R. Czerwinski","Synthesis and Structure of Technetium Trichloride","Journal of the American Chemical Society","2010","132","","15864","15865","10.1021/ja105730e","","","0.71073","MoKα","","0.0397","0.0365","","","0.1446","0.1477","","","","","","1.375","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103495","9.626","0.006","17.645","0.012","12.048","0.008","90","","111.742","0.01","90","","1901","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 B10 -","- C14 H30 B10 -","- C56 H120 B40 -","4","1","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.1418","0.0746","","","0.1613","0.1993","","","","","","1.044","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103496","17.164","0.015","9.756","0.009","12.097","0.011","90","","90","","90","","2026","3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H32 B10 -","- C15 H32 B10 -","- C60 H128 B40 -","4","1","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.0838","0.0484","","","0.1062","0.1257","","","","","","1.082","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103497","9.771","0.003","14.55","0.005","16.814","0.006","90","","90","","90","","2390.4","1.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H38 B10 Si -","- C17 H38 B10 Si -","- C68 H152 B40 Si4 -","4","1","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.0457","0.039","","","0.1079","0.1144","","","","","","1.049","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103498","38.9899","0.0014","38.9899","0.0014","12.1613","0.0004","90","","90","","120","","16010.9","1","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C31 H32 B10 -","- C31 H32 B10 -","- C558 H576 B180 -","18","1","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.1075","0.0687","","","0.2047","0.2274","","","","","","1.056","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103499","12.6407","0.001","8.9507","0.0008","22.2876","0.0017","90","","98.526","0.002","90","","2493.8","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 B10 -","- C23 H32 B10 -","- C92 H128 B40 -","4","2","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.1397","0.0515","","","0.1027","0.1455","","","","","","1.001","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103500","8.9391","0.0011","17.6712","0.0019","16.0679","0.0017","90","","91.454","0.002","90","","2537.3","0.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 B10 -","- C23 H32 B10 -","- C92 H128 B40 -","4","1","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.1269","0.0817","","","0.2479","0.296","","","","","","1.094","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103501","9.311","0.006","7.728","0.005","24.422","0.016","90","","91.05","0.012","90","","1757","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 B10 -","- C13 H22 B10 -","- C52 H88 B40 -","4","1","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.138","0.0899","","","0.2508","0.3104","","","","","","1.035","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103502","10.724","0.003","15.122","0.005","11.474","0.004","90","","97.422","0.004","90","","1845.1","1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","10075","","","- C40 H50 Cu N4 O2 -","- C40 H50 Cu N4 O2 -","- C80 H100 Cu2 N8 O4 -","2","1","","Patrick J. Donoghue; Aalo K. Gupta; David W. Boyce; Christopher J. Cramer; William B. Tolman","An Anionic, tetragonal Copper(II) Superoxide Complex","Journal of the American Chemical Society","2010","132","","15869","15871","10.1021/ja106244k","","","0.71073","MoKα","","0.0618","0.0435","","","0.0938","0.1002","","","","","","1","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103503","36.805","0.003","5.7499","0.0004","7.9908","0.0005","90","","99.837","0.003","90","","1666.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","JJ-2-30","zuckermann01","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","0.5","","Hannah K. Murnen; Adrianne M. Rosales; Jonathan N. Jaworski; Rachel A. Segalman; Ronald N. Zuckermann","Hierarchical Self-Assembly of a Biomimetic Diblock Copolypeptoid into Homochiral Superhelices","Journal of the American Chemical Society","2010","132","","16112","16119","10.1021/ja106340f","","","1.54178","CuKα","","0.0551","0.053","","","0.1452","0.146","","","","","","1.302","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4103504","9.8776","0.0008","12.953","0.0011","15.5488","0.0013","81.634","0.007","83.316","0.007","82.826","0.007","1943","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET) (compiled Jan 12 2007,17:49:11)","","- C38 H58 N4 Ni O Si2 -","- C38 H58 N4 Ni O Si2 -","- C76 H116 N8 Ni2 O2 Si4 -","2","1","","Wenyuan Wang; Shigeyoshi Inoue; Shenglai Yao; Matthias Driess","An Isolable Bis-Silylene Oxide (""Disilylenoxane"") and Its Metal Coordination","Journal of the American Chemical Society","2010","132","","15890","15892","10.1021/ja106458p","","","0.71073","MoKα","","0.0605","0.0386","","","0.0807","0.0853","","","","","","0.948","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103505","31.188","0.002","39.12","0.003","10.262","0.0006","90","","90","","90","","12520.4","1.4","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET) (compiled Jan 12 2007,17:49:11)","","- C30 H46 N4 O Si2 -","- C30 H46 N4 O Si2 -","- C480 H736 N64 O16 Si32 -","16","1","","Wenyuan Wang; Shigeyoshi Inoue; Shenglai Yao; Matthias Driess","An Isolable Bis-Silylene Oxide (""Disilylenoxane"") and Its Metal Coordination","Journal of the American Chemical Society","2010","132","","15890","15892","10.1021/ja106458p","","","0.71073","MoKα","","0.0754","0.0488","","","0.0604","0.065","","","","","","0.897","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103506","12.1593","0.0005","16.2045","0.0006","17.1248","0.0007","90","","98.177","0.004","90","","3339.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET) (compiled Jan 12 2007,17:49:11)","","- C30 H48 Cl2 N4 O Si2 -","- C30 H48 Cl2 N4 O Si2 -","- C120 H192 Cl8 N16 O4 Si8 -","4","1","","Wenyuan Wang; Shigeyoshi Inoue; Shenglai Yao; Matthias Driess","An Isolable Bis-Silylene Oxide (""Disilylenoxane"") and Its Metal Coordination","Journal of the American Chemical Society","2010","132","","15890","15892","10.1021/ja106458p","","","0.71073","MoKα","","0.0905","0.0543","","","0.108","0.1194","","","","","","1.035","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103507","9.3855","0.0003","15.6669","0.0008","20.7398","0.0011","90","","95.827","0.003","90","","3033.9","0.2","200","2","200","2","","","","","","","Chemical synthesis, S.C. Lee lab","6","P 1 21/n 1","-P 2yn","14","(NEt4)2[Fe2(mu-NtBu)(mu-S)Cl2]","","","- C20 H49 Cl4 Fe2 N3 S -","- C20 H49 Cl4 Fe2 N3 S -","- C80 H196 Cl16 Fe8 N12 S4 -","4","1","","Xu-Dong Chen; Jeremiah S. Duncan; Atul K. Verma; Sonny C. Lee","Selective Syntheses of Iron-Imide-Sulfide Cubanes, Including a Partial Representation of the Fe-S-X Environment in the FeMo Cofactor","Journal of the American Chemical Society","2010","132","","15884","15886","10.1021/ja106478k","","","0.71073","MoKα","","0.1004","0.0534","","0.1618","0.1331","","","","1.031","1.082","1.082","","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103508","16.4939","0.0008","9.0249","0.0005","23.5935","0.0013","90","","101.945","0.002","90","","3436","0.3","200","2","200","2","","","","","","","Chemical synthesis, S.C. Lee lab","6","P 1 21/n 1","-P 2yn","14","Fe2(mu-NHtBu)(mu-S)[N(TMS)2]2","","","- C20 H56 Fe2 N4 S Si4 -","- C20 H56 Fe2 N4 S Si4 -","- C80 H224 Fe8 N16 S4 Si16 -","4","1","","Xu-Dong Chen; Jeremiah S. Duncan; Atul K. Verma; Sonny C. Lee","Selective Syntheses of Iron-Imide-Sulfide Cubanes, Including a Partial Representation of the Fe-S-X Environment in the FeMo Cofactor","Journal of the American Chemical Society","2010","132","","15884","15886","10.1021/ja106478k","","","0.71073","MoKα","","0.1409","0.0604","","0.1301","0.1053","","","","1.027","1.144","1.144","","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103509","23.4155","0.001","20.7305","0.0009","17.8411","0.0013","90","","130.166","0.001","90","","6618","0.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Et4N)[Fe4(mu3-NtBu)3(mu3-S)Cl4]","(Et4N)[Fe4(mu3-NtBu)3(mu3-S)Cl4]","","- C20 H47 Cl4 Fe4 N4 S -","- C20 H47 Cl4 Fe4 N4 S -","- C160 H376 Cl32 Fe32 N32 S8 -","8","1","","Xu-Dong Chen; Jeremiah S. Duncan; Atul K. Verma; Sonny C. Lee","Selective Syntheses of Iron-Imide-Sulfide Cubanes, Including a Partial Representation of the Fe-S-X Environment in the FeMo Cofactor","Journal of the American Chemical Society","2010","132","","15884","15886","10.1021/ja106478k","","","0.71073","MoKα","","0.0488","0.033","","","0.0722","0.0804","","","","","","1.023","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103510","17.8185","0.0012","11.3121","0.0007","22.1301","0.0014","90","","108.795","0.001","90","","4222.8","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Et4N)2[Fe4(mu3-NtBu)2(mu3-S)2Cl4]","(Et4N)2[Fe4(mu3-NtBu)2(mu3-S)2Cl4]","","- C24 H58 Cl4 Fe4 N4 S2 -","- C24 H58 Cl4 Fe4 N4 S2 -","- C96 H232 Cl16 Fe16 N16 S8 -","4","1","","Xu-Dong Chen; Jeremiah S. Duncan; Atul K. Verma; Sonny C. Lee","Selective Syntheses of Iron-Imide-Sulfide Cubanes, Including a Partial Representation of the Fe-S-X Environment in the FeMo Cofactor","Journal of the American Chemical Society","2010","132","","15884","15886","10.1021/ja106478k","","","0.71073","MoKα","","0.0895","0.0498","","","0.102","0.1188","","","","","","0.978","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103511","26.4805","0.0011","10.7835","0.0004","12.7847","0.0005","90","","90","","90","","3650.7","0.2","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","(Et4N)2[Fe4(mu3-NtBu)(mu3-S)3Cl4].(CH3CN)","(Et4N)2[Fe4(mu3-NtBu)(mu3-S)3Cl4].(CH3CN)","","- C22 H52 Cl4 Fe4 N4 S3 -","- C22 H52 Cl4 Fe4 N4 S3 -","- C88 H208 Cl16 Fe16 N16 S12 -","4","1","","Xu-Dong Chen; Jeremiah S. Duncan; Atul K. Verma; Sonny C. Lee","Selective Syntheses of Iron-Imide-Sulfide Cubanes, Including a Partial Representation of the Fe-S-X Environment in the FeMo Cofactor","Journal of the American Chemical Society","2010","132","","15884","15886","10.1021/ja106478k","","","0.71073","MoKα","","0.0469","0.0379","","","0.0805","0.0889","","","","","","1.072","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103512","25.0996","0.0005","25.0996","0.0005","70.9292","0.0016","90","","90","","90","","44684.7","1.6","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C216 H359.2 Mn40 N8 Na4 O169.6 -","- C216 H340 Mn40 N8 Na4 O169.6 -","- C864 H1360 Mn160 N32 Na16 O678.4 -","4","0.25","","Eleni E. Moushi; Christos Lampropoulos; Wolfgang Wernsdorfer; Vassilios Nastopoulos; George Christou; Anastasios J. Tasiopoulos","Inducing Single-Molecule Magnetism in a Family of Loop-of-Loops Aggregates: Heterometallic Mn40Na4 Clusters and the Homometallic Mn44 Analogue","Journal of the American Chemical Society","2010","132","","16146","16155","10.1021/ja106666h","","","0.71073","MoKα","","0.114","0.0545","","","0.1537","0.1723","","","","","","0.906","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103513","25.8279","0.0004","25.8279","0.0004","33.8254","0.0011","90","","90","","90","","22564.3","0.9","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C226 H360 Cl20 Mn40 N8 Na4 O160 -","- C226 H360 Cl20 Mn40 N8 Na4 O160 -","- C452 H720 Cl40 Mn80 N16 Na8 O320 -","2","0.25","","Eleni E. Moushi; Christos Lampropoulos; Wolfgang Wernsdorfer; Vassilios Nastopoulos; George Christou; Anastasios J. Tasiopoulos","Inducing Single-Molecule Magnetism in a Family of Loop-of-Loops Aggregates: Heterometallic Mn40Na4 Clusters and the Homometallic Mn44 Analogue","Journal of the American Chemical Society","2010","132","","16146","16155","10.1021/ja106666h","","","0.71073","MoKα","","0.1591","0.0679","","","0.1517","0.1667","","","","","","0.961","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103514","34.5332","0.0004","34.5332","0.0004","100.3812","0.0017","90","","90","","90","","119709","3","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C236 H436 Mn40 N4 Na4 O182 -","- C236 H400 Mn40 N4 Na4 O182 -","- C1888 H3200 Mn320 N32 Na32 O1456 -","8","0.25","","Eleni E. Moushi; Christos Lampropoulos; Wolfgang Wernsdorfer; Vassilios Nastopoulos; George Christou; Anastasios J. Tasiopoulos","Inducing Single-Molecule Magnetism in a Family of Loop-of-Loops Aggregates: Heterometallic Mn40Na4 Clusters and the Homometallic Mn44 Analogue","Journal of the American Chemical Society","2010","132","","16146","16155","10.1021/ja106666h","","","0.71073","MoKα","","0.1915","0.0954","","","0.2547","0.3078","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103515","23.9377","0.0003","23.9377","0.0003","70.072","0.0016","90","","90","","90","","40152.2","1.2","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C216 H355 Cl Mn44 N8 O173 -","- C216 H340 Cl Mn44 N8 O173 -","- C864 H1360 Cl4 Mn176 N32 O692 -","4","0.25","","Eleni E. Moushi; Christos Lampropoulos; Wolfgang Wernsdorfer; Vassilios Nastopoulos; George Christou; Anastasios J. Tasiopoulos","Inducing Single-Molecule Magnetism in a Family of Loop-of-Loops Aggregates: Heterometallic Mn40Na4 Clusters and the Homometallic Mn44 Analogue","Journal of the American Chemical Society","2010","132","","16146","16155","10.1021/ja106666h","","","0.71073","MoKα","","0.1262","0.0664","","","0.1597","0.1714","","","","","","1.01","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103516","15.8542","0.0007","15.8542","0.0007","4.1273","0.0003","90","","90","","90","","1037.42","0.1","296","2","296","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C7 H5 F N3 S4 -","- C7 H5 F N3 S4 -","- C28 H20 F4 N12 S16 -","4","0.5","","Kristina Lekin; Stephen M. Winter; Laura E. Downie; Xuezhao Bao; John S. Tse; Serge Desgreniers; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Hysteretic Spin Crossover between a Bisdithiazolyl Radical and Its Hypervalent σ-Dimer","Journal of the American Chemical Society","2010","132","","16212","16224","10.1021/ja106768z","","","0.71073","MoKα","","0.033","0.0309","","","0.0714","0.073","","","","","","1.158","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103517","5.3256","0.0003","11.3951","0.0007","17.3934","0.001","90","","105.105","0.002","90","","1019.06","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPEt_dimer","","","- C14 H10 F2 N6 S8 -","- C14 H10 F2 N6 S8 -","- C28 H20 F4 N12 S16 -","2","0.5","","Kristina Lekin; Stephen M. Winter; Laura E. Downie; Xuezhao Bao; John S. Tse; Serge Desgreniers; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Hysteretic Spin Crossover between a Bisdithiazolyl Radical and Its Hypervalent σ-Dimer","Journal of the American Chemical Society","2010","132","","16212","16224","10.1021/ja106768z","","","0.71073","MoKα","","0.0504","0.0364","","","0.0835","0.0942","","","","","","1.077","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103518","5.3225","0.0006","11.091","0.001","17.1492","0.0015","90","","105.095","0.008","90","","977.42","0.17","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPEt","","","- C7 H5 F N3 S4 -","- C7 H5 F N3 S4 -","- C28 H20 F4 N12 S16 -","4","1","","Kristina Lekin; Stephen M. Winter; Laura E. Downie; Xuezhao Bao; John S. Tse; Serge Desgreniers; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Hysteretic Spin Crossover between a Bisdithiazolyl Radical and Its Hypervalent σ-Dimer","Journal of the American Chemical Society","2010","132","","16212","16224","10.1021/ja106768z","powder diffraction","x-ray","0.50918","","","","","","","","","0.18362","","0.5","","","","","","","has coordinates,has Fobs","178781","2020-10-21","18:00:00",""
"4103519","5.1026","0.0005","11.0754","0.0009","17.1529","0.0016","90","","104.824","0.008","90","","937.1","0.15","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPEt","","","- C7 H5 F N3 S4 -","- C7 H5 F N3 S4 -","- C28 H20 F4 N12 S16 -","4","1","","Kristina Lekin; Stephen M. Winter; Laura E. Downie; Xuezhao Bao; John S. Tse; Serge Desgreniers; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Hysteretic Spin Crossover between a Bisdithiazolyl Radical and Its Hypervalent σ-Dimer","Journal of the American Chemical Society","2010","132","","16212","16224","10.1021/ja106768z","powder diffraction","x-ray","0.50918","","","","","","","","","0.15847","","0.58","","","","","","","has coordinates,has Fobs","178781","2020-10-21","18:00:00",""
"4103520","5.2038","0.00035","11.6317","0.0004","17.7657","0.0009","90","","105.746","0.005","90","","1034.99","0.1","393","","393","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPEt","","","- C7 H5 F N3 S4 -","- C7 H5 F N3 S4 -","- C28 H20 F4 N12 S16 -","4","1","","Kristina Lekin; Stephen M. Winter; Laura E. Downie; Xuezhao Bao; John S. Tse; Serge Desgreniers; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Hysteretic Spin Crossover between a Bisdithiazolyl Radical and Its Hypervalent σ-Dimer","Journal of the American Chemical Society","2010","132","","16212","16224","10.1021/ja106768z","powder diffraction","x-ray","1.5405","CuKα","","","","","","","","0.61512","","1151.95","","","","","","","has coordinates,has Fobs","178781","2020-10-21","18:00:00",""
"4103521","19.6727","0.0004","7.742","0.0001","10.7323","0.0002","90","","91.791","0.001","90","","1633.8","0.05","103","2","103","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H18 Cl In O2 -","- C18 H18 Cl In O2 -","- C72 H72 Cl4 In4 O8 -","4","1","","Zhi-Liang Shen; Kelvin Kau Kiat Goh; Hao-Lun Cheong; Colin Hong An Wong; Yin-Chang Lai; Yong-Sheng Yang; Teck-Peng Loh","Synthesis of Water-Tolerant Indium Homoenolate in Aqueous Media and Its Application in the Synthesis of 1,4-Dicarbonyl Compounds via Palladium-Catalyzed Coupling with Acid Chloride","Journal of the American Chemical Society","2010","132","","15852","15855","10.1021/ja106925f","","","0.71073","MoKα","","0.03","0.0268","","","0.0621","0.0637","","","","","","1.018","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103522","20.38","0.004","20.556","0.004","35.192","0.007","90.28","0.03","92.8","0.03","109.91","0.03","13842","5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Ga4L6 supramolecular cluster","","","- C214.5 H216.5 Ga4 K3 N13 O44.25 P5 -","- C214.497 H149 Ga4 K3 N13 O44.25 P5 -","- C428.994 H298 Ga8 K6 N26 O88.5 P10 -","2","1","","Jeffrey S. Mugridge; Géza Szigethy; Robert G. Bergman; Kenneth N. Raymond","Encapsulated Guest-Host Dynamics: Guest Rotational Barriers and Tumbling as a Probe of Host Interior Cavity Space","Journal of the American Chemical Society","2010","132","","16256","16264","10.1021/ja107656g","","","1.54178","CuKα","","0.1248","0.1038","","","0.2784","0.3028","","","","","","1.097","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103523","34.674","0.002","34.674","0.002","6.0958","0.0004","90","","90","","120","","6347","0.7","170","2","170","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C11 H21 N3 O3 -","- C11 H21 N3 O3 -","- C198 H378 N54 O54 -","18","1","","Shuichi Suzuki; Takanori Furui; Masato Kuratsu; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada","Nitroxide-Substituted Nitronyl Nitroxide and Iminonitroxide","Journal of the American Chemical Society","2010","132","","15908","15910","10.1021/ja107769z","","","0.7107","MoKα","","0.0807","0.0756","","","0.184","0.1868","","","","","","1.172","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103524","6.118","0.002","17.652","0.006","12.494","0.004","90","","109.434","0.006","90","","1272.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 N3 O2 -","- C11 H21 N3 O2 -","- C44 H84 N12 O8 -","4","1","","Shuichi Suzuki; Takanori Furui; Masato Kuratsu; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada","Nitroxide-Substituted Nitronyl Nitroxide and Iminonitroxide","Journal of the American Chemical Society","2010","132","","15908","15910","10.1021/ja107769z","","","0.7107","MoKα","","0.0923","0.0793","","","0.1235","0.1287","","","","","","1.153","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103525","15.631","0.004","12.413","0.003","18.049","0.004","90","","90","","90","","3502","1.5","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","jonme10","","","- C15 H26 Br N P Rh -","- C15 H26 Br N P Rh -","- C120 H208 Br8 N8 P8 Rh8 -","8","1","","Meagan E. Evans; Ting Li; William D. Jones","C-H vs C-C Bond Activation of Acetonitrile and Benzonitrile via Oxidative Addition: Rhodium vs Nickel and Cp* vs Tp' (Tp' = Hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp* = η5-Pentamethylcyclopentadienyl)","Journal of the American Chemical Society","2010","132","","16278","16284","10.1021/ja107927b","","","0.71073","MoKα","","0.1083","0.0507","","","0.0984","0.1154","","","","","","1.046","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103526","16.447","0.002","12.741","0.0018","7.6738","0.0011","90","","90","","90","","1608.1","0.4","100","0.1","100","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","jonme07","","","- C15 H27 N P Rh -","- C15 H27 N P Rh -","- C60 H108 N4 P4 Rh4 -","4","0.5","","Meagan E. Evans; Ting Li; William D. Jones","C-H vs C-C Bond Activation of Acetonitrile and Benzonitrile via Oxidative Addition: Rhodium vs Nickel and Cp* vs Tp' (Tp' = Hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp* = η5-Pentamethylcyclopentadienyl)","Journal of the American Chemical Society","2010","132","","16278","16284","10.1021/ja107927b","","","0.71073","MoKα","","0.0299","0.0272","","","0.0698","0.0705","","","","","","1.423","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103527","8.1053","0.0013","8.7271","0.0013","15.88","0.002","89.287","0.003","76.682","0.003","67.204","0.003","1004","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","jonme12","","","- C20 H30 N O0.5 P Rh -","- C20 H30 N O0.5 P Rh -","- C40 H60 N2 O P2 Rh2 -","2","1","","Meagan E. Evans; Ting Li; William D. Jones","C-H vs C-C Bond Activation of Acetonitrile and Benzonitrile via Oxidative Addition: Rhodium vs Nickel and Cp* vs Tp' (Tp' = Hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp* = η5-Pentamethylcyclopentadienyl)","Journal of the American Chemical Society","2010","132","","16278","16284","10.1021/ja107927b","","","0.71073","MoKα","","0.0356","0.0289","","","0.0663","0.0697","","","","","","1.05","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103528","17.6562","0.0004","17.6562","0.0004","4.5121","0.0001","90","","90","","90","","1406.61","0.05","100","2","100","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","2,2'-diisocyano-1,1',3,3'-tetraethoxycarbonyl-6,6'-biazulenyl","","","- C34 H28 N2 O8 -","- C34 H28 N2 O8 -","- C68 H56 N4 O16 -","2","0.25","","Tiffany R. Maher; Andrew D. Spaeth; Brad M. Neal; Cindy L. Berrie; Ward H. Thompson; Victor W. Day; Mikhail V. Barybin","Linear 6,6'-Biazulenyl Framework Featuring Isocyanide Termini: Synthesis, Structure, Redox Behavior, Complexation, and Self-Assembly on Au(111)","Journal of the American Chemical Society","2010","132","","15924","15926","10.1021/ja108202d","","","1.54178","CuKα","","0.0314","0.03","","","0.0784","0.0794","","","","","","1.096","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103529","7.661","0.0015","10.065","0.002","16.229","0.003","90","","91.179","0.011","90","","1251.1","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H8 N2 O -","- C6 H8 N2 O -","- C48 H64 N16 O8 -","8","4","","Zhenfeng Zhang; Fang Xie; Jia Jia; Wanbin Zhang","Chiral Bicycle Imidazole Nucleophilic Catalysts: Rational Design, Facile Synthesis, and Successful Application in Asymmetric Steglich Rearrangement","Journal of the American Chemical Society","2010","132","","15939","15941","10.1021/ja109069k","","","1.54178","CuKα","","0.0485","0.0389","","","0.1026","0.1176","","","","","","1.15","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103530","15.3654","0.0008","17.7225","0.0009","21.0786","0.001","100.623","0.003","93.62","0.002","94.919","0.003","5602.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H129 Cl2 Co2 N15 O5 -","- C119 H129 Cl2 Co2 N15 O5 -","- C238 H258 Cl4 Co4 N30 O10 -","2","1","","Renee M. Thomas; Peter C. B. Widger; Syud M. Ahmed; Ryan C. Jeske; Wataru Hirahata; Emil B. Lobkovsky; Geoffrey W. Coates","Enantioselective Epoxide Polymerization Using a Bimetallic Cobalt Catalyst","Journal of the American Chemical Society","2010","132","","16520","16525","10.1021/ja1058422","","","0.71073","MoKα","","0.0974","0.0574","","","0.1471","0.1641","","","","","","1.028","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103531","8.4136","0.0006","13.2172","0.0007","37.7991","0.0016","90.22","0.004","91.244","0.005","90.444","0.005","4202.3","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Bis(ethylenedithio)tetrathiafulvalene tetrakis(trifluoromethyl)argentate(III) 1,1,2-trichloroethane","","","- C26 H19 Ag Cl3 F12 S16 -","- C26 H19 Ag Cl3 F12 S16 -","- C104 H76 Ag4 Cl12 F48 S64 -","4","2","","John A. Schlueter; Leonore Wiehl; Hyunsoo Park; Mariano de Souza; Michael Lang; Hyun-Joo Koo; Myung-Hwan Whangbo","Enhanced Critical Temperature in a Dual-Layered Molecular Superconductor","Journal of the American Chemical Society","2010","132","","16308","16310","10.1021/ja105854m","","","0.71073","MoKα","","0.0786","0.0645","","","0.1272","0.1335","","","","","","1.095","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103532","16.8961","0.0019","11.5086","0.0014","17.34","0.002","90","","102.729","0.002","90","","3288.9","0.7","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Cl F6 N4 O6 P S2 -","- C24 H40 Cl F6 N4 O6 P S2 -","- C96 H160 Cl4 F24 N16 O24 P4 S8 -","4","1","","Jan J. Weigand; Kai-Oliver Feldmann; Florian D. Henne","Carbene-Stabilized Phosphorus(III)-Centered Cations [LPX~2~]^+^ and [L~2~PX]^2+^ (L = NHC; X = Cl, CN, N~3~)","Journal of the American Chemical Society","2010","132","","16321","16323","10.1021/ja106172d","","","0.71073","MoKα","","0.0649","0.0562","","","0.1552","0.1632","","","","","","1.025","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103533","9.2133","0.0003","13.2202","0.0004","15.7172","0.0005","90","","93.999","0.002","90","","1909.72","0.1","153","2","153","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 F3 N4 O3 P S -","- C14 H20 F3 N4 O3 P S -","- C56 H80 F12 N16 O12 P4 S4 -","4","1","","Jan J. Weigand; Kai-Oliver Feldmann; Florian D. Henne","Carbene-Stabilized Phosphorus(III)-Centered Cations [LPX~2~]^+^ and [L~2~PX]^2+^ (L = NHC; X = Cl, CN, N~3~)","Journal of the American Chemical Society","2010","132","","16321","16323","10.1021/ja106172d","","","1.54178","CuKα","","0.0384","0.0362","","","0.0964","0.0981","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103534","9.1924","0.0004","21.2386","0.0007","20.6522","0.0008","90","","90.117","0.003","90","","4032","0.3","153","2","153","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 F3 N8 O3 P S -","- C12 H20 F3 N8 O3 P S -","- C96 H160 F24 N64 O24 P8 S8 -","8","2","","Jan J. Weigand; Kai-Oliver Feldmann; Florian D. Henne","Carbene-Stabilized Phosphorus(III)-Centered Cations [LPX~2~]^+^ and [L~2~PX]^2+^ (L = NHC; X = Cl, CN, N~3~)","Journal of the American Chemical Society","2010","132","","16321","16323","10.1021/ja106172d","","","1.54178","CuKα","","0.0582","0.0464","","","0.1213","0.1292","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103535","15.8923","0.0009","9.1889","0.0005","23.6454","0.0011","90","","106.187","0.004","90","","3316.1","0.3","153","2","153","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H40 F6 N5 O6 P S2 -","- C25 H40 F6 N5 O6 P S2 -","- C100 H160 F24 N20 O24 P4 S8 -","4","2","","Jan J. Weigand; Kai-Oliver Feldmann; Florian D. Henne","Carbene-Stabilized Phosphorus(III)-Centered Cations [LPX~2~]^+^ and [L~2~PX]^2+^ (L = NHC; X = Cl, CN, N~3~)","Journal of the American Chemical Society","2010","132","","16321","16323","10.1021/ja106172d","","","1.54178","CuKα","","0.0629","0.0575","","","0.1513","0.1562","","","","","","1.037","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103536","10.1689","0.0003","10.577","0.0004","17.9056","0.0005","82.943","0.002","85.659","0.002","79.724","0.002","1877.76","0.11","153","1","153","1","","","","","","","","8","P -1","-P 1","2","","","","- C25 H42 Cl2 F6 N7 O6 P S2 -","- C25 H42 Cl2 F6 N7 O6 P S2 -","- C50 H84 Cl4 F12 N14 O12 P2 S4 -","2","1","","Jan J. Weigand; Kai-Oliver Feldmann; Florian D. Henne","Carbene-Stabilized Phosphorus(III)-Centered Cations [LPX~2~]^+^ and [L~2~PX]^2+^ (L = NHC; X = Cl, CN, N~3~)","Journal of the American Chemical Society","2010","132","","16321","16323","10.1021/ja106172d","","","1.54178","CuKα","","0.0807","0.0621","","","0.1558","0.1676","","","","","","0.956","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103537","19.6804","0.0003","30.5202","0.0005","27.2342","0.0004","90","","101.268","0.001","90","","16042.9","0.4","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C130 H143.2 B2 F12 N8 O16.6 P4 Pt2 S4 -","- C130 H118 B2 F12 N8 O16.6 P4 Pt2 S4 -","- C520 H472 B8 F48 N32 O66.4 P16 Pt8 S16 -","4","0.5","","Antonia Kaloudi-Chantzea; Nikolaos Karakostas; Catherine P. Raptopoulou; Vassilis Psycharis; Emmanuel Saridakis; Jan Griebel; Ralf Hermann; George Pistolis","Coordination-Driven Self Assembly of a Brilliantly Fluorescent Rhomboid Cavitand Composed of Bodipy-Dye Subunits","Journal of the American Chemical Society","2010","132","","16327","16329","10.1021/ja1064679","","","1.54178","CuKα","","0.0698","0.0554","","","0.1598","0.1758","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103538","7.589","0.002","13.823","0.004","20.128","0.005","90","","96.519","0.005","90","","2097.8","1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H12 N4 -","- C28 H12 N4 -","- C112 H48 N16 -","4","1","","Fang Lin; Hai-Yan Peng; Jing-Xing Chen; David T. W. Chik; Zongwei Cai; Keith M. C. Wong; Vivian W. W. Yam; Henry N. C. Wong","Synthesis and Photophysical Studies of Chiral Helical Macrocyclic Scaffolds via Coordination-Driven Self-Assembly of 1,8,9,16-Tetraethynyltetraphenylene. Formation of Monometallic Platinum(II) and Dimetallic Platinum(II)-Ruthenium(II) Complexes","Journal of the American Chemical Society","2010","132","","16383","16392","10.1021/ja106599j","","","0.71073","MoKα","","0.0895","0.0748","","","0.1908","0.203","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103539","27.3035","0.0019","12.9231","0.0009","14.0208","0.001","90","","90","","90","","4947.2","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H68 Cl2 P4 Pt2 -","- C44 H67 Cl2 P4 Pt2 -","- C176 H268 Cl8 P16 Pt8 -","4","1","","Fang Lin; Hai-Yan Peng; Jing-Xing Chen; David T. W. Chik; Zongwei Cai; Keith M. C. Wong; Vivian W. W. Yam; Henry N. C. Wong","Synthesis and Photophysical Studies of Chiral Helical Macrocyclic Scaffolds via Coordination-Driven Self-Assembly of 1,8,9,16-Tetraethynyltetraphenylene. Formation of Monometallic Platinum(II) and Dimetallic Platinum(II)-Ruthenium(II) Complexes","Journal of the American Chemical Society","2010","132","","16383","16392","10.1021/ja106599j","","","0.71073","MoKα","","0.1127","0.0723","","","0.1595","0.1738","","","","","","0.877","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103540","17.236","0.002","14.499","0.0017","20.923","0.002","90","","113.719","0.002","90","","4787.1","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H68 Cl2 P4 Pt2 -","- C40 H68 Cl2 P4 Pt2 -","- C160 H272 Cl8 P16 Pt8 -","4","0.5","","Fang Lin; Hai-Yan Peng; Jing-Xing Chen; David T. W. Chik; Zongwei Cai; Keith M. C. Wong; Vivian W. W. Yam; Henry N. C. Wong","Synthesis and Photophysical Studies of Chiral Helical Macrocyclic Scaffolds via Coordination-Driven Self-Assembly of 1,8,9,16-Tetraethynyltetraphenylene. Formation of Monometallic Platinum(II) and Dimetallic Platinum(II)-Ruthenium(II) Complexes","Journal of the American Chemical Society","2010","132","","16383","16392","10.1021/ja106599j","","","0.71073","MoKα","","0.0831","0.06","","","0.1206","0.129","","","","","","0.916","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103541","17.096","0.002","17.193","0.002","23.436","0.003","92.103","0.0018","93.6893","0.0018","98.6202","0.0018","6789.1","1.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C62.5 H60.5 Cl3.5 F8 Ir2 O8 P4 S2 -","- C62.5 H60.5 Cl3.5 F8 Ir2 O8 P4 S2 -","- C250 H242 Cl14 F32 Ir8 O32 P16 S8 -","4","2","","Michael E. Slaney; D. Jason Anderson; Michael J. Ferguson; Robert McDonald; Martin Cowie","The Bridged Binding Mode as a New, Versatile Template for the Selective Activation of Carbon-Fluorine Bonds in Fluoroolefins: Activation of Trifluoroethylene","Journal of the American Chemical Society","2010","132","","16544","16558","10.1021/ja106723u","","","0.71073","MoKα","","0.1117","0.0783","","","0.1768","0.1939","","","","","","1.062","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103542","13.0038","0.0004","24.7743","0.0008","18.3417","0.0006","90","","94.3755","0.0004","90","","5891.7","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C59 H56 Cl2 F5 Ir2 O6.5 P4 S -","- C59 H56 Cl2 F5 Ir2 O6.5 P4 S -","- C236 H224 Cl8 F20 Ir8 O26 P16 S4 -","4","1","","Michael E. Slaney; D. Jason Anderson; Michael J. Ferguson; Robert McDonald; Martin Cowie","The Bridged Binding Mode as a New, Versatile Template for the Selective Activation of Carbon-Fluorine Bonds in Fluoroolefins: Activation of Trifluoroethylene","Journal of the American Chemical Society","2010","132","","16544","16558","10.1021/ja106723u","","","0.71073","MoKα","","0.027","0.0225","","","0.0585","0.0611","","","","","","1.017","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103543","20.9533","0.001","23.2733","0.0011","54.433","0.003","90","","90","","90","","26544","2","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H50 Cl4 F6 Ir2 O9 P4 S2 -","- C56.5 H47 Cl F6 Ir2 O9 P4 S2 -","- C904 H752 Cl16 F96 Ir32 O144 P64 S32 -","16","2","","Michael E. Slaney; D. Jason Anderson; Michael J. Ferguson; Robert McDonald; Martin Cowie","The Bridged Binding Mode as a New, Versatile Template for the Selective Activation of Carbon-Fluorine Bonds in Fluoroolefins: Activation of Trifluoroethylene","Journal of the American Chemical Society","2010","132","","16544","16558","10.1021/ja106723u","","","0.71073","MoKα","","0.0893","0.058","","","0.1075","0.1165","","","","","","1.088","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103544","7.546","0.003","7.959","0.003","16.748","0.006","78.581","0.006","89.392","0.006","79.341","0.007","968.6","0.6","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H52 N2 Si2 -","- C42 H52 N2 Si2 -","- C42 H52 N2 Si2 -","1","0.5","","Yi-Yang Liu; Cheng-Li Song; Wei-Jing Zeng; Kai-Ge Zhou; Zi-Fa Shi; Chong-Bo Ma; Feng Yang; Hao-Li Zhang; Xiong Gong","High and Balanced Hole and Electron Mobilities from Ambipolar Thin-Film Transistors Based on Nitrogen-Containing Oligoacences","Journal of the American Chemical Society","2010","132","","16349","16351","10.1021/ja107046s","","","0.71073","MoKα","","0.1678","0.0742","","","0.1075","0.1165","","","","","","1.904","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103545","7.6749","0.0009","7.832","0.001","17.134","0.002","77.434","0.005","88.437","0.005","84.073","0.005","999.9","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H49 F4 N Si2 -","- C43 H49 F4 N Si2 -","- C43 H49 F4 N Si2 -","1","0.5","","Yi-Yang Liu; Cheng-Li Song; Wei-Jing Zeng; Kai-Ge Zhou; Zi-Fa Shi; Chong-Bo Ma; Feng Yang; Hao-Li Zhang; Xiong Gong","High and Balanced Hole and Electron Mobilities from Ambipolar Thin-Film Transistors Based on Nitrogen-Containing Oligoacences","Journal of the American Chemical Society","2010","132","","16349","16351","10.1021/ja107046s","","","0.71073","MoKα","","0.1772","0.0964","","","0.2181","0.2661","","","","","","1.194","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103546","13.6155","0.0012","17.7814","0.0016","16.1138","0.0014","90","","103.206","0.004","90","","3798","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Co N6 -","- C43 H47 Co N6 -","- C172 H188 Co4 N24 -","4","1","","Crisita Carmen Hojilla Atienza; Amanda C. Bowman; Emil Lobkovsky; Paul J. Chirik","Photolysis and Thermolysis of Bis(imino)pyridine Cobalt Azides: C-H Activation from Putative Cobalt Nitrido Complexes","Journal of the American Chemical Society","2010","132","","16343","16345","10.1021/ja107288x","","","0.71073","MoKα","","0.0574","0.0355","","","0.0825","0.0927","","","","","","1.011","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103547","9.464","0.0003","11.5509","0.0003","32.3652","0.0008","90","","92.12","0.001","90","","3535.67","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Co N4 -","- C43 H47 Co N4 -","- C172 H188 Co4 N16 -","4","1","","Crisita Carmen Hojilla Atienza; Amanda C. Bowman; Emil Lobkovsky; Paul J. Chirik","Photolysis and Thermolysis of Bis(imino)pyridine Cobalt Azides: C-H Activation from Putative Cobalt Nitrido Complexes","Journal of the American Chemical Society","2010","132","","16343","16345","10.1021/ja107288x","","","0.71073","MoKα","","0.0615","0.04","","","0.0879","0.0974","","","","","","1.029","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103548","9.898","0.0006","13.3037","0.0008","13.829","0.0008","101.844","0.003","101.392","0.003","103.947","0.003","1670.19","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H35 Co N4 -","- C37 H35 Co N4 -","- C74 H70 Co2 N8 -","2","1","","Crisita Carmen Hojilla Atienza; Amanda C. Bowman; Emil Lobkovsky; Paul J. Chirik","Photolysis and Thermolysis of Bis(imino)pyridine Cobalt Azides: C-H Activation from Putative Cobalt Nitrido Complexes","Journal of the American Chemical Society","2010","132","","16343","16345","10.1021/ja107288x","","","0.71073","MoKα","","0.0714","0.0474","","","0.1287","0.1373","","","","","","1.056","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103549","7.961","0.002","8.703","0.003","9.587","0.003","80.769","0.005","75.052","0.005","68.094","0.004","593.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 B N2 O -","- C12 H17 B N2 O -","- C24 H34 B2 N4 O2 -","2","1","","Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu","Electrophilic Aromatic Substitution of a BN Indole","Journal of the American Chemical Society","2010","132","","16340","16342","10.1021/ja107312u","","","0.71073","MoKα","","0.0673","0.0477","","","0.108","0.1206","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103550","17.5388","0.0017","17.3342","0.0017","18.8857","0.0018","90","","90","","90","","5741.7","1","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H38 B3 N5 O -","- C27 H38 B3 N5 O -","- C216 H304 B24 N40 O8 -","8","1","","Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu","Electrophilic Aromatic Substitution of a BN Indole","Journal of the American Chemical Society","2010","132","","16340","16342","10.1021/ja107312u","","","0.71073","MoKα","","0.0745","0.0465","","","0.1025","0.1188","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103551","25.6572","0.0005","25.6572","0.0005","25.6572","0.0005","90","","90","","90","","16889.9","0.6","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Shuangbing Han; Yanhu Wei; Cory Valente; István Lagzi; Jeremiah J. Gassensmith; Ali Coskun; J. Fraser Stoddart; Bartosz A. Grzybowski","Chromatography in a Single Metal-Organic Framework (MOF) Crystal","Journal of the American Chemical Society","2010","132","","16358","16361","10.1021/ja1074322","","","0.71073","MoKα","","0.0669","0.0469","","","0.1516","0.1582","","","","","","1.009","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103552","14.6257","0.0008","11.8318","0.0004","17.3191","0.0009","90","","98.201","0.004","90","","2966.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H66 Cl2 Na2 O14 P2 Pd2 S2 -","- C54 H66 Cl2 Na2 O14 P2 Pd2 S2 -","- C108 H132 Cl4 Na4 O28 P4 Pd4 S4 -","2","0.5","","Thomas Rünzi; Damien Guironnet; Inigo Göttker-Schnetmann; Stefan Mecking","Reactivity of Methacrylates in Insertion Polymerization","Journal of the American Chemical Society","2010","132","","16623","16630","10.1021/ja107538r","","","0.71073","MoKα","","0.0622","0.0396","","","0.0696","0.0737","","","","","","1.095","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103553","9.319","0.003","14.771","0.004","23.304","0.002","90","","90","","90","","3207.8","1.4","293.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42 N2 O5 Ru S -","- C35 H41 N2 O5 Ru S -","- C140 H164 N8 O20 Ru4 S4 -","4","1","","Ilya D. Gridnev; Masahito Watanabe; Hui Wang; Takao Ikariya","Mechanism of Enantioselective C-C Bond Formation with Bifunctional Chiral Ru Catalysts: NMR and DFT Study","Journal of the American Chemical Society","2010","132","","16637","16650","10.1021/ja107597w","","","0.7107","MoKα","","","0.086","","","","0.214","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103554","7.3861","0.0002","16.9714","0.0003","22.9921","0.0004","90","","90","","90","","2882.12","0.11","200","","200","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","2","","Diem H. T. Phan; Kevin G. M. Kou; Vy M. Dong","Enantioselective Desymmetrization of Cyclopropenes by Hydroacylation","Journal of the American Chemical Society","2010","132","","16354","16355","10.1021/ja107738a","","","1.54178","CuKα","","0.0558","0.0437","","","0.1109","0.1196","","","","","","1.042","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103555","5.7293","0.0003","22.6204","0.0015","22.0844","0.0011","90","","90.022","0.003","90","","2862.1","0.3","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Cl O2 -","- C17 H15 Cl O2 -","- C136 H120 Cl8 O16 -","8","4","","Diem H. T. Phan; Kevin G. M. Kou; Vy M. Dong","Enantioselective Desymmetrization of Cyclopropenes by Hydroacylation","Journal of the American Chemical Society","2010","132","","16354","16355","10.1021/ja107738a","","","0.71073","MoKα","","0.1229","0.0644","","","0.1469","0.1803","","","","","","1.018","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103556","6.3628","0.0002","37.8917","0.0009","6.4301","0.0002","90","","110.406","0.001","90","","1452.99","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","2","","Diem H. T. Phan; Kevin G. M. Kou; Vy M. Dong","Enantioselective Desymmetrization of Cyclopropenes by Hydroacylation","Journal of the American Chemical Society","2010","132","","16354","16355","10.1021/ja107738a","","","1.54178","CuKα","","0.0486","0.0401","","","0.1048","0.1118","","","","","","1.042","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103557","9.19214","0.00018","11.003","0.0002","15.9731","0.0003","87.8746","0.0009","77.9145","0.0009","89.7102","0.0008","1578.64","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1","P 1","1","TP-B6-90-trans","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","4","","Diem H. T. Phan; Kevin G. M. Kou; Vy M. Dong","Enantioselective Desymmetrization of Cyclopropenes by Hydroacylation","Journal of the American Chemical Society","2010","132","","16354","16355","10.1021/ja107738a","","","1.54178","CuKα","","0.0399","0.0371","","","0.1004","0.1039","","","","","","1.073","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103558","5.7856","0.0001","12.5864","0.0002","22.2215","0.0004","90","","90","","90","","1618.17","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Diem H. T. Phan; Kevin G. M. Kou; Vy M. Dong","Enantioselective Desymmetrization of Cyclopropenes by Hydroacylation","Journal of the American Chemical Society","2010","132","","16354","16355","10.1021/ja107738a","","","1.54178","CuKα","","0.0341","0.0324","","","0.0875","0.0898","","","","","","1.05","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103559","17.517","0.002","21.513","0.002","22.412","0.003","93.557","0.002","111.81","0.002","109.403","0.002","7228.1","1.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C294.89 H322.38 Cl29.11 N24 Ni4 O13.3 -","- C294.894 H322.384 Cl29.106 N24 Ni4 O13.298 -","- C294.894 H322.384 Cl29.106 N24 Ni4 O13.298 -","1","0.5","","Jianxin Song; Naoki Aratani; Hiroshi Shinokubo; Atsuhiro Osuka","A Porphyrin Nanobarrel That Encapsulates C60","Journal of the American Chemical Society","2010","132","","16356","16357","10.1021/ja107814s","","","0.71073","MoKα","","0.1305","0.0792","","","0.2037","0.2386","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103560","26.506","0.003","27.945","0.003","26.552","0.003","90","","90.049","0.003","90","","19667","4","90","2","90","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C416 H216 Cl12 N24 Ni4 -","- C416 H216 Cl12 N24 Ni4 -","- C832 H432 Cl24 N48 Ni8 -","2","0.5","","Jianxin Song; Naoki Aratani; Hiroshi Shinokubo; Atsuhiro Osuka","A Porphyrin Nanobarrel That Encapsulates C60","Journal of the American Chemical Society","2010","132","","16356","16357","10.1021/ja107814s","","","0.71069","MoKα","","0.1698","0.0844","","","0.1934","0.2242","","","","","","0.794","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103561","25.306","","15.147","","19.763","","90","","95.27","","90","","7543.33","","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C126 H53 N5 Ni Sc3 -","- C126 H53 N5 Ni Sc3 -","- C504 H212 N20 Ni4 Sc12 -","4","0.5","","Tai-Shan Wang; Lai Feng; Jing-Yi Wu; Wei Xu; Jun-Feng Xiang; Kai Tan; Yi-Han Ma; Jun-Peng Zheng; Li Jiang; Xin Lu; Chun-Ying Shu; Chun-Ru Wang","Planar Quinary Cluster inside a Fullerene Cage: Synthesis and Structural Characterizations of Sc3NC@C80-Ih","Journal of the American Chemical Society","2010","132","","16362","16364","10.1021/ja107843b","","","0.71073","MoKα","","0.1498","0.1436","","","0.4338","0.442","","","","","","1.905","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103562","4.1295","0.0008","6.9199","0.0014","36.035","0.0072","90","","90","","90","","1029.7","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C44 H44 Br4 O12 -","4","1","","Shou-Fei Zhu; Xiao-Guang Song; Yu Li; Yan Cai; Qi-Lin Zhou","Enantioselective Copper-Catalyzed Intramolecular O-H Insertion: An Efficient Approach to Chiral 2-Carboxy Cyclic Ethers","Journal of the American Chemical Society","2010","132","","16374","16376","10.1021/ja1078464","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103563","6.4289","0.0002","9.9793","0.0003","12.8331","0.0004","81.995","0.002","85.672","0.002","74.704","0.002","785.77","0.04","120","2","120","2","","","","","","","","3","P 1","P 1","1","compound RRRR14b","","","- C19 H24 O2 -","- C19 H24 O2 -","- C38 H48 O4 -","2","2","","W. Christopher Boyd; Mark R. Crimmin; Lauren E. Rosebrugh; Jennifer M. Schomaker; Robert G. Bergman; F. Dean Toste","Cobalt-Mediated, Enantioselective Synthesis of C2 and C1 Dienes","Journal of the American Chemical Society","2010","132","","16365","16367","10.1021/ja107968c","","","1.54178","CuKα","","0.0318","0.0293","","","0.0737","0.0804","","","","","","1.071","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103564","20.398","0.007","5.6912","0.0019","26.77","0.009","90","","112.062","0.004","90","","2880.2","1.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C128 H208 O16 -","8","2","","Bin Wang; Armando P. Ramirez; Justin J. Slade; James P. Morken","Enantioselective Synthesis of (-)-Sclerophytin A by a Stereoconvergent Epoxide Hydrolysis","Journal of the American Chemical Society","2010","132","","16380","16382","10.1021/ja108185z","","","0.71073","MoKα","","0.0579","0.0463","","","0.1126","0.1209","","","","","","1.035","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103565","11.642","0.006","7.337","0.004","20.65","0.01","90","","104.046","0.007","90","","1711.1","1.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Bin Wang; Armando P. Ramirez; Justin J. Slade; James P. Morken","Enantioselective Synthesis of (-)-Sclerophytin A by a Stereoconvergent Epoxide Hydrolysis","Journal of the American Chemical Society","2010","132","","16380","16382","10.1021/ja108185z","","","0.71073","MoKα","","0.1139","0.0634","","","0.1085","0.1245","","","","","","1.042","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103566","9.7581","0.0016","19.351","0.003","19.541","0.003","90","","90","","90","","3689.9","1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H30 O4 -","- C19 H30 O4 -","- C152 H240 O32 -","8","1","","Bin Wang; Armando P. Ramirez; Justin J. Slade; James P. Morken","Enantioselective Synthesis of (-)-Sclerophytin A by a Stereoconvergent Epoxide Hydrolysis","Journal of the American Chemical Society","2010","132","","16380","16382","10.1021/ja108185z","","","0.71073","MoKα","","0.0757","0.0581","","","0.1438","0.1524","","","","","","1.053","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103567","10.1403","0.001","7.1864","0.0007","13.9617","0.0014","90","","90","","90","","1017.42","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H12 N6 O3 -","- C9 H12 N6 O3 -","- C36 H48 N24 O12 -","4","1","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0266","0.0261","","","0.0675","0.0681","","","","","","1.063","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103568","4.6631","0.0003","9.9982","0.0006","12.2965","0.0007","70.93","0.004","81.342","0.003","77.812","0.004","527.55","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N6 O3 -","- C8 H12 N6 O3 -","- C16 H24 N12 O6 -","2","1","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0439","0.038","","","0.1047","0.1094","","","","","","1.077","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103569","24.617","0.014","6.42","0.004","14.466","0.008","90","","113.892","0.008","90","","2090","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 N6 O2 -","- C9 H12 N6 O2 -","- C72 H96 N48 O16 -","8","1","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0573","0.0432","","","0.1103","0.1196","","","","","","1.035","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103570","4.576","0.002","13.064","0.006","20.128","0.009","90","","90.429","0.007","90","","1203.2","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 N6 O3 -","- C10 H14 N6 O3 -","- C40 H56 N24 O12 -","4","1","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0913","0.0603","","","0.1269","0.1375","","","","","","1.076","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103571","7.749","0.0002","11.1967","0.0003","14.0827","0.0004","90","","90","","90","","1221.86","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N6 O4 -","- C10 H14 N6 O4 -","- C40 H56 N24 O16 -","4","1","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0305","0.0302","","","0.0779","0.0781","","","","","","1.021","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103572","4.4783","0.0015","18.704","0.006","14.171","0.005","90","","98.611","0.006","90","","1173.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 N6 O4 -","- C10 H14 N6 O4 -","- C40 H56 N24 O16 -","4","1","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0972","0.0481","","","0.0893","0.1038","","","","","","1.049","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103573","21.777","0.003","7.1528","0.0011","19.562","0.003","90","","111.419","0.002","90","","2836.7","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 D22 N14 O11 -","- C22 H14 D22 N14 O11 -","- C88 H56 D88 N56 O44 -","4","0.5","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0461","0.0369","","","0.0963","0.1031","","","","","","1.027","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103574","6.8414","0.0019","25.756","0.007","10.444","0.003","90","","90","","90","","1840.3","0.9","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H17 Cl N12 O2 -","- C16 H17 Cl N12 O2 -","- C64 H68 Cl4 N48 O8 -","4","0.5","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.1007","0.0716","","","0.1784","0.1952","","","","","","1.068","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103575","14.87","0.003","7.1093","0.0012","14.467","0.002","90","","114.471","0.002","90","","1392","0.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H16 D16 N14 O9 -","- C24 H16 D16 N14 O9 -","- C48 H32 D32 N28 O18 -","2","0.5","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0598","0.0479","","","0.122","0.133","","","","","","1.055","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103576","4.853","0.0003","9.2338","0.0006","16.2177","0.0011","78.939","0.003","84.916","0.004","81.822","0.004","704.58","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13.5 H15 N7 O2.5 -","- C13.5 H15 N7 O2.5 -","- C27 H30 N14 O5 -","2","1","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0436","0.0397","","","0.103","0.1066","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103577","9.6826","0.0002","16.0482","0.0004","19.6919","0.0005","90","","90","","90","","3059.89","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N3 O8 -","- C30 H41 N3 O8 -","- C120 H164 N12 O32 -","4","1","","Lisa A. Marcaurelle; Eamon Comer; Sivaraman Dandapani; Jeremy R. Duvall; Baudouin Gerard; Sarathy Kesavan; Maurice D. Lee; Haibo Liu; Jason T. Lowe; Jean-Charles Marie; Carol A. Mulrooney; Bhaumik A. Pandya; Ann Rowley; Troy D. Ryba; Byung-Chul Suh; Jingqiang Wei; Damian W. Young; Lakshmi B. Akella; Nathan T. Ross; Yan-Ling Zhang; Daniel M. Fass; Surya A. Reis; Wen-Ning Zhao; Stephen J. Haggarty; Michelle Palmer; Michael A. Foley","An Aldol-Based Build/Couple/Pair Strategy for the Synthesis of Medium- and Large-Sized Rings: Discovery of Macrocyclic Histone Deacetylase Inhibitors","Journal of the American Chemical Society","2010","132","","16962","16976","10.1021/ja105119r","","","1.54178","CuKα","","0.0267","0.0264","","","0.0687","0.069","","","","","","1.059","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103578","9.4979","0.0002","14.121","0.0003","25.283","0.0004","90","","90","","90","","3390.95","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H49 N3 O9 -","- C35 H49 N3 O9 -","- C140 H196 N12 O36 -","4","1","","Lisa A. Marcaurelle; Eamon Comer; Sivaraman Dandapani; Jeremy R. Duvall; Baudouin Gerard; Sarathy Kesavan; Maurice D. Lee; Haibo Liu; Jason T. Lowe; Jean-Charles Marie; Carol A. Mulrooney; Bhaumik A. Pandya; Ann Rowley; Troy D. Ryba; Byung-Chul Suh; Jingqiang Wei; Damian W. Young; Lakshmi B. Akella; Nathan T. Ross; Yan-Ling Zhang; Daniel M. Fass; Surya A. Reis; Wen-Ning Zhao; Stephen J. Haggarty; Michelle Palmer; Michael A. Foley","An Aldol-Based Build/Couple/Pair Strategy for the Synthesis of Medium- and Large-Sized Rings: Discovery of Macrocyclic Histone Deacetylase Inhibitors","Journal of the American Chemical Society","2010","132","","16962","16976","10.1021/ja105119r","","","1.54178","CuKα","","0.0268","0.0267","","","0.0677","0.0677","","","","","","1.061","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103579","10.7412","0.0003","9.4434","0.0002","14.6583","0.0004","90","","92.428","0.001","90","","1485.51","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H45 N5 O6 -","- C29 H45 N5 O6 -","- C58 H90 N10 O12 -","2","1","","Lisa A. Marcaurelle; Eamon Comer; Sivaraman Dandapani; Jeremy R. Duvall; Baudouin Gerard; Sarathy Kesavan; Maurice D. Lee; Haibo Liu; Jason T. Lowe; Jean-Charles Marie; Carol A. Mulrooney; Bhaumik A. Pandya; Ann Rowley; Troy D. Ryba; Byung-Chul Suh; Jingqiang Wei; Damian W. Young; Lakshmi B. Akella; Nathan T. Ross; Yan-Ling Zhang; Daniel M. Fass; Surya A. Reis; Wen-Ning Zhao; Stephen J. Haggarty; Michelle Palmer; Michael A. Foley","An Aldol-Based Build/Couple/Pair Strategy for the Synthesis of Medium- and Large-Sized Rings: Discovery of Macrocyclic Histone Deacetylase Inhibitors","Journal of the American Chemical Society","2010","132","","16962","16976","10.1021/ja105119r","","","1.54178","CuKα","","0.0249","0.0248","","","0.0636","0.0637","","","","","","1.029","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103580","15.6441","0.0009","12.0357","0.0007","19.9182","0.0012","90","","90","","90","","3750.4","0.4","153","2","153","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H26 N2 O4 Pd -","- C16 H26 N2 O4 Pd -","- C128 H208 N16 O32 Pd8 -","8","1","","Peter Hauwert; Romilda Boerleider; Stefan Warsink; Jan J. Weigand; Cornelis J. Elsevier","Mechanism of Pd(NHC)-Catalyzed Transfer Hydrogenation of Alkynes","Journal of the American Chemical Society","2010","132","","16900","16910","10.1021/ja1062407","","","0.71073","MoKα","","0.0312","0.0224","","","0.0506","0.0544","","","","","","1.024","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103581","14.718","0.002","8.9472","0.0012","17.545","0.002","90","","90","","90","","2310.4","0.5","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H0 Cl2 Co N5 O8 -","- C14 Cl2 Co N5 O8 -","- C56 Cl8 Co4 N20 O32 -","4","0.5","","Jaeheung Cho; Ritimukta Sarangi; Hye Yeon Kang; Jung Yoon Lee; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam","Synthesis, Structural, and Spectroscopic Characterization and Reactivities of Mononuclear Cobalt(III)-Peroxo Complexes","Journal of the American Chemical Society","2010","132","","16977","16986","10.1021/ja107177m","","","0.71073","MoKα","","0.1098","0.0794","","","0.2227","0.2324","","","","","","1.03","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103582","12.2417","0.0015","27.912","0.003","11.1477","0.0013","90","","110.063","0.002","90","","3577.9","0.7","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H51 B Co N5 O2 -","- C38 H51 B Co N5 O2 -","- C152 H204 B4 Co4 N20 O8 -","4","1","","Jaeheung Cho; Ritimukta Sarangi; Hye Yeon Kang; Jung Yoon Lee; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam","Synthesis, Structural, and Spectroscopic Characterization and Reactivities of Mononuclear Cobalt(III)-Peroxo Complexes","Journal of the American Chemical Society","2010","132","","16977","16986","10.1021/ja107177m","","","0.71073","MoKα","","0.103","0.0365","","","0.0481","0.0523","","","","","","0.96","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103583","9.2584","0.0006","9.2584","0.0006","14.1473","0.0017","90","","90","","90","","1212.68","0.18","298","2","298","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C15 H0 Cl2 Co N5 O8 -","- C15 Cl2 Co N5 O8 -","- C30 Cl4 Co2 N10 O16 -","2","0.125","","Jaeheung Cho; Ritimukta Sarangi; Hye Yeon Kang; Jung Yoon Lee; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam","Synthesis, Structural, and Spectroscopic Characterization and Reactivities of Mononuclear Cobalt(III)-Peroxo Complexes","Journal of the American Chemical Society","2010","132","","16977","16986","10.1021/ja107177m","","","0.71073","MoKα","","0.0846","0.0673","","","0.1745","0.1807","","","","","","1.065","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103584","12.789","0.003","9.5673","0.0018","17.218","0.003","90","","90","","90","","2106.7","0.7","170","2","170","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H33 Cl Co N5 O6 -","- C15 H33 Cl Co N5 O6 -","- C60 H132 Cl4 Co4 N20 O24 -","4","1","","Jaeheung Cho; Ritimukta Sarangi; Hye Yeon Kang; Jung Yoon Lee; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam","Synthesis, Structural, and Spectroscopic Characterization and Reactivities of Mononuclear Cobalt(III)-Peroxo Complexes","Journal of the American Chemical Society","2010","132","","16977","16986","10.1021/ja107177m","","","0.71073","MoKα","","0.038","0.0345","","","0.1101","0.1164","","","","","","1.003","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103585","14.405","0.0006","11.3697","0.0005","15.8982","0.0006","90","","110.767","0.002","90","","2434.65","0.18","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Fe O4 P S -","- C28 H19 Fe O4 P S -","- C112 H76 Fe4 O16 P4 S4 -","4","1","","Aaron M. Royer; Marco Salomone-Stagni; Thomas B. Rauchfuss; Wolfram Meyer-Klaucke","Iron Acyl Thiolato Carbonyls: Structural Models for the Active Site of the [Fe]-Hydrogenase (Hmd)","Journal of the American Chemical Society","2010","132","","16997","17003","10.1021/ja1072228","","","0.71073","MoKα","","0.0403","0.0289","","","0.0735","0.0778","","","","","","1.027","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103586","8.138","0.0002","14.3161","0.0002","17.5802","0.0003","90","","92.253","0.001","90","","2046.59","0.07","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl N2 O P Ru -","- C20 H28 Cl N2 O P Ru -","- C80 H112 Cl4 N8 O4 P4 Ru4 -","4","1","","Ekambaram Balaraman; Boopathy Gnanaprakasam; Linda J. W. Shimon; David Milstein","Direct Hydrogenation of Amides to Alcohols and Amines under Mild Conditions","Journal of the American Chemical Society","2010","132","","16756","16758","10.1021/ja1080019","","","0.71073","MoKα","","0.0435","0.0326","","","0.0781","0.0834","","","","","","0.994","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103587","9.6642","0.0007","16.121","0.0011","29.301","0.002","90","","90","","90","","4565","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C57 H52 Fe N2 -","- C57 H52 Fe N2 -","- C228 H208 Fe4 N8 -","4","1","","Bin Hu; Meng Meng; Zheng Wang; Wenting Du; John S. Fossey; Xinquan Hu; Wei-Ping Deng","A Highly Selective Ferrocene-Based Planar Chiral PIP (Fc-PIP) Acyl Transfer Catalyst for the Kinetic Resolution of Alcohols","Journal of the American Chemical Society","2010","132","","17041","17044","10.1021/ja108238a","","","0.71073","MoKα","","0.0818","0.0605","","","0.153","0.1629","","","","","","1.017","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103588","12.1421","0.0003","12.9364","0.0003","19.6945","0.0006","89.147","0.002","72.124","0.001","86.319","0.001","2938.06","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H47 B F24 O P Rh -","- C60 H47 B F24 O P Rh -","- C120 H94 B2 F48 O2 P2 Rh2 -","2","1","","Jesús Campos; Ana C. Esqueda; Joaquín López-Serrano; Luis Sánchez; Fernando P. Cossio; Abel de Cozar; Eleuterio Álvarez; Celia Maya; Ernesto Carmona","A Cationic Rh(III) Complex That Efficiently Catalyzes Hydrogen Isotope Exchange in Hydrosilanes","Journal of the American Chemical Society","2010","132","","16765","16767","10.1021/ja108521b","","","0.71073","MoKα","","0.0593","0.0459","","","0.1164","0.1273","","","","","","1.05","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103589","25.6591","0.0013","7.8808","0.0004","13.9773","0.0008","90","","90","","90","","2826.4","0.3","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C27 H35 F6 P Rh Sb -","- C27 H35 F6 P Rh Sb -","- C108 H140 F24 P4 Rh4 Sb4 -","4","1","","Jesús Campos; Ana C. Esqueda; Joaquín López-Serrano; Luis Sánchez; Fernando P. Cossio; Abel de Cozar; Eleuterio Álvarez; Celia Maya; Ernesto Carmona","A Cationic Rh(III) Complex That Efficiently Catalyzes Hydrogen Isotope Exchange in Hydrosilanes","Journal of the American Chemical Society","2010","132","","16765","16767","10.1021/ja108521b","","","0.71073","MoKα","","0.0606","0.0333","","","0.0608","0.07","","","","","","1.055","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103590","10.922","0.002","15.497","0.003","21.965","0.004","90","","90","","90","","3717.8","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C168 H192 O48 -","8","1","","Jianxian Gong; Guang Lin; Wenbo Sun; Chuang-Chuang Li; Zhen Yang","Total Synthesis of (\±) Maoecrystal V","Journal of the American Chemical Society","2010","132","","16745","16746","10.1021/ja108907x","","","0.71073","MoKα","","0.0966","0.0396","","","0.0649","0.0854","","","","","","0.779","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103591","10.9153","0.0018","16.404","0.003","18.292","0.003","105.255","0.002","104.71","0.002","109.116","0.002","2770","0.8","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]- 1-(2,2-dimethylpropyl)-4-isopropyl-2-tetrasilyne","","- C36 H94 Si12 -","- C36 H94 Si12 -","- C72 H188 Si24 -","2","1","","Yoshitaka Murata; Masaaki Ichinohe; Akira Sekiguchi","Unsymmetrically Substituted Disilyne Dsi2iPrSi-Si\τbSi-SiNpDsi2 (Np = CH2tBu): Synthesis and Characterization","Journal of the American Chemical Society","2010","132","","16768","16770","10.1021/ja1091744","","","0.71073","MoKα","","0.0931","0.0508","","","0.1212","0.1376","","","","","","1.04","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103592","8.8119","0.0014","12.913","0.002","24.946","0.004","90","","90","","90","","2838.6","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","09046b","","","- C26 H42 Fe N4 O4 S2 -","- C26 H42 Fe N4 O4 S2 -","- C104 H168 Fe4 N16 O16 S8 -","4","1","","Aidan R. McDonald; Michael R. Bukowski; Erik R. Farquhar; Timothy A. Jackson; Kevin D. Koehntop; Mi Sook Seo; Raymond F. De Hont; Audria Stubna; Jason A. Halfen; Eckard Münck; Wonwoo Nam; Lawrence Que","Sulfur versus Iron Oxidation in an Iron-Thiolate Model Complex","Journal of the American Chemical Society","2010","132","","17118","17129","10.1021/ja1045428","","","0.71073","MoKα","","0.0487","0.0382","","","0.0765","0.0798","","","","","","1.068","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103593","7.638","0.004","12.046","0.006","17.893","0.009","90","","100.166","0.009","90","","1620.4","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H17 Cl6 O4 P -","- C8 H17 Cl6 O4 P -","- C32 H68 Cl24 O16 P4 -","4","1","","Zin-Min Tun; Matthew J. Panzner; Vincenzo Scionti; Douglas Medvetz; Chrys Wesdemiotis; Wiley J. Youngs; Claire Tessier","Crown Ether Complexes of HPCl6","Journal of the American Chemical Society","2010","132","","17059","17061","10.1021/ja1064697","","","0.71073","MoKα","","0.0611","0.0414","","","0.0947","0.0992","","","","","","0.973","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103594","8.8731","0.0007","11.6179","0.0009","18.3623","0.0014","92.626","0.001","96.303","0.001","109.978","0.001","1761.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H49 Cl6 O12 P -","- C24 H49 Cl6 O12 P -","- C48 H98 Cl12 O24 P2 -","2","1","","Zin-Min Tun; Matthew J. Panzner; Vincenzo Scionti; Douglas Medvetz; Chrys Wesdemiotis; Wiley J. Youngs; Claire Tessier","Crown Ether Complexes of HPCl6","Journal of the American Chemical Society","2010","132","","17059","17061","10.1021/ja1064697","","","0.71073","MoKα","","0.0431","0.0347","","","0.0901","0.0924","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103595","6.3748","0.0003","8.6854","0.0003","14.2983","0.0006","90","","92.48","0.003","90","","790.92","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 O2 Si -","- C16 H20 O2 Si -","- C32 H40 O4 Si2 -","2","1","","John F. Briones; Jørn Hansen; Kenneth I. Hardcastle; Jochen Autschbach; Huw M. L. Davies","Highly Enantioselective Rh2(S-DOSP)4- Catalyzed Cyclopropenation of Alkynes with Styryldiazoacetates","Journal of the American Chemical Society","2010","132","","17211","17215","10.1021/ja106509b","","","1.54178","CuKα","","0.0387","0.0373","","","0.1038","0.105","","","","","","1.071","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103596","8.4047","0.0004","5.5397","0.0003","17.0558","0.0007","90","","91.048","0.003","90","","793.98","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C40 H40 O4 -","2","1","","John F. Briones; Jørn Hansen; Kenneth I. Hardcastle; Jochen Autschbach; Huw M. L. Davies","Highly Enantioselective Rh2(S-DOSP)4- Catalyzed Cyclopropenation of Alkynes with Styryldiazoacetates","Journal of the American Chemical Society","2010","132","","17211","17215","10.1021/ja106509b","","","1.54178","CuKα","","0.043","0.0338","","","0.091","0.1016","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103597","7.9946","0.0006","9.1402","0.0006","6.2269","0.0004","90","","99.584","0.006","90","","448.66","0.05","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","2-hydroxy-5-Nitrotetrazole","5-nitro-2H-tetrazol-2-ol","","- C H N5 O3 -","- C H N5 O3 -","- C4 H4 N20 O12 -","4","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.027","0.022","","","0.0428","0.0437","","","","","","0.921","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103598","8.489","0.005","12.341","0.005","5.626","0.005","90","0.005","91.221","0.005","90","0.005","589.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HNTX","hydroxylammonium 5-nitro-2H-tetrazol-2-olate","","- C H4 N6 O4 -","- C H4 N6 O4 -","- C4 H16 N24 O16 -","4","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.0349","0.0246","","","0.0571","0.0592","","","","","","0.928","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103599","10.267","0.003","12.622","0.002","7.37","0.003","90","","93.724","0.005","90","","953.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TAGNTX","triaminoguanidinium 5-nitro-2H-tetrazol-2-olate","","- C2 H9 N11 O3 -","- C2 H9 N11 O3 -","- C8 H36 N44 O12 -","4","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.0607","0.0332","","","0.0699","0.0753","","","","","","0.88","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103600","7.812","0.003","15.783","0.002","6.619","0.003","90","","100.194","0.005","90","","803.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","AGNTX","aminoguanidinium 5-nitro-2H-tetrazol-2-olate","","- C2 H7 N9 O3 -","- C2 H7 N9 O3 -","- C8 H28 N36 O12 -","4","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.0795","0.0359","","","0.0538","0.0582","","","","","","0.842","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103601","6.061","0.0008","7.5528","0.0009","8.2886","0.0009","79.36","0.01","89.576","0.01","85.918","0.011","371.96","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","GNTX","guanidinium 5-nitro-2H-tetrazol-2-olate","","- C2 H6 N8 O3 -","- C2 H6 N8 O3 -","- C4 H12 N16 O6 -","2","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.1166","0.076","","","0.1943","0.2089","","","","","","0.906","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103602","9.3989","0.0004","7.9263","0.0003","15.2618","0.0006","90","","90","","90","","1136.98","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","ANTX","ammonium 5-nitro-2H-tetrazol-2-olate","","- C H4 N6 O3 -","- C H4 N6 O3 -","- C8 H32 N48 O24 -","8","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.0336","0.0259","","","0.0638","0.0659","","","","","","0.958","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103603","6.4344","0.0006","8.0055","0.0007","8.516","0.0008","90.218","0.007","94.461","0.007","97.519","0.007","433.53","0.07","173","2","173","","","","","","","","","4","P -1","-P 1","2","1,3-diaminoguanidinium 5-nitrotetrazolate-N-oxide","1,3-diaminoguanidinium 5-nitrotetrazolate-N-oxide","","- C2 H8 N10 O3 -","- C2 H8 N10 O3 -","- C4 H16 N20 O6 -","2","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.081","0.0409","","","0.0932","0.1035","","","","","","0.885","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103604","25.714","0.0013","25.714","0.0013","25.714","0.0013","90","","90","","90","","17002.3","1.5","296","2","296","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C74 H42 In9 N O56 -","- C74.04 H24 In9 N1.03 O56 -","- C296.16 H96 In36 N4.12 O224 -","4","0.0833333","","Shou-Tian Zheng; Julia T. Bu; Yufei Li; Tao Wu; Fan Zuo; Pingyun Feng; Xianhui Bu","Pore Space Partition and Charge Separation in Cage-within-Cage Indium-Organic Frameworks with High CO2 Uptake","Journal of the American Chemical Society","2010","132","","17062","17064","10.1021/ja106903p","","","0.71073","MoKα","","0.0988","0.0906","","","0.2488","0.2565","","","","","","1.203","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103605","25.182","0.005","25.182","0.005","26.944","0.01","90","","90","","90","","17086","8","296","2","296","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C74 H46 In9 N O58 -","- C74 H30 In9 N O58 -","- C296 H120 In36 N4 O232 -","4","0.25","","Shou-Tian Zheng; Julia T. Bu; Yufei Li; Tao Wu; Fan Zuo; Pingyun Feng; Xianhui Bu","Pore Space Partition and Charge Separation in Cage-within-Cage Indium-Organic Frameworks with High CO2 Uptake","Journal of the American Chemical Society","2010","132","","17062","17064","10.1021/ja106903p","","","0.71073","MoKα","","0.1388","0.1247","","","0.2799","0.2891","","","","","","1.091","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103606","25.8066","0.0011","25.8066","0.0011","25.8066","0.0011","90","","90","","90","","17186.7","1.3","296","2","296","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C48.67 H28 In6 N0.67 O37.33 -","- C48.64 In6 N0.64 O37.3333 -","- C291.84 In36 N3.84 O224 -","6","0.125","","Shou-Tian Zheng; Julia T. Bu; Yufei Li; Tao Wu; Fan Zuo; Pingyun Feng; Xianhui Bu","Pore Space Partition and Charge Separation in Cage-within-Cage Indium-Organic Frameworks with High CO2 Uptake","Journal of the American Chemical Society","2010","132","","17062","17064","10.1021/ja106903p","","","0.71073","MoKα","","0.1179","0.0982","","","0.2765","0.315","","","","","","1.087","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103607","8.9362","0.0014","12.1541","0.0019","23.537","0.004","90","","100.913","0.003","90","","2510.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0794","0.0443","","","0.1005","0.1194","","","","","","1.012","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103608","8.9723","0.0004","12.1679","0.0005","23.6779","0.001","90","","100.79","0.001","90","","2539.31","0.19","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0873","0.0432","","","0.0962","0.1157","","","","","","1.009","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103609","8.9994","0.0004","12.1797","0.0005","23.7616","0.0011","90","","100.794","0.001","90","","2558.4","0.2","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0889","0.0449","","","0.0957","0.1178","","","","","","1.033","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103610","9.0255","0.0005","12.1959","0.0007","23.8577","0.0014","90","","100.903","0.001","90","","2578.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0759","0.0374","","","0.0905","0.1073","","","","","","1.037","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103611","9.0436","0.0005","12.2062","0.0006","23.8971","0.0012","90","","100.55","0.0007","90","","2593.4","0.2","310","2","310","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0867","0.0475","","","0.106","0.1258","","","","","","1.003","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103612","9.0564","0.0005","12.2219","0.0007","23.9314","0.0013","90","","100.435","0.0008","90","","2605.1","0.3","320","2","320","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0852","0.0464","","","0.1042","0.1241","","","","","","1.001","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103613","9.0665","0.0005","12.236","0.0007","23.9586","0.0014","90","","100.298","0.0009","90","","2615.1","0.3","330","2","330","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0821","0.0458","","","0.1051","0.1242","","","","","","1.024","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103614","9.0734","0.0006","12.2494","0.0008","23.9794","0.0015","90","","100.139","0.001","90","","2623.5","0.3","340","2","340","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0854","0.0472","","","0.1051","0.1256","","","","","","1.016","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103615","9.0481","0.0018","12.551","0.003","23.981","0.005","90","","96.258","0.002","90","","2707.1","1","350","2","350","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.1051","0.0549","","","0.1373","0.1698","","","","","","1.008","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103616","9.076","0.003","12.584","0.004","24.054","0.008","90","","96.268","0.004","90","","2730.8","1.5","360","2","360","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.1091","0.0546","","","0.137","0.1702","","","","","","1.03","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103617","9.049","0.003","12.555","0.005","24.019","0.009","90","","96.053","0.005","90","","2713.6","1.7","340","2","340","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0701","0.0407","","","0.0989","0.1224","","","","","","1.047","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103618","9.038","0.003","12.546","0.004","23.977","0.008","90","","95.987","0.004","90","","2703.9","1.5","330","2","330","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0884","0.0425","","","0.1089","0.1387","","","","","","1.029","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103619","9.0505","0.0005","12.2165","0.0006","23.9182","0.0012","90","","100.45","0.0008","90","","2600.7","0.2","320","2","320","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B N2 O2 -","- C34 H32 B N2 O2 -","- C136 H128 B4 N8 O8 -","4","1","","Sushanta K. Pal; Pradip Bag; Arindam Sarkar; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Hysteretic Spin and Charge Delocalization in a Phenalenyl-Based Molecular Conductor","Journal of the American Chemical Society","2010","132","","17258","17264","10.1021/ja107201d","","","0.71073","MoKα","","0.0835","0.0453","","","0.103","0.1221","","","","","","1.01","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103620","7.972","0.002","7.973","0.002","22.773","0.006","85.259","0.005","85.096","0.005","89.96","0.005","1437.2","0.6","173","2","173","2","","","101.3","","","","","4","P -1","-P 1","2","4,5,6,7-tetrafluorobenzo-2,1,3-telluradiazole","4,5,6,7-tetrafluorobenzo-2,1,3-telluradiazole","","- C6 F4 N2 Te -","- C6 F4 N2 Te -","- C48 F32 N16 Te8 -","8","4","","Anthony F. Cozzolino; Pamela S. Whitfield; Ignacio Vargas-Baca","Supramolecular Chromotropism of the Crystalline Phases of 4,5,6,7-Tetrafluorobenzo-2,1,3-telluradiazole","Journal of the American Chemical Society","2010","132","","17265","17270","10.1021/ja107252f","","x-ray","0.71073","MoKα","","0.1512","0.0732","","","0.1388","0.1699","","","","","","0.985","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103621","5.423","0.002","10.807","0.004","20.081","0.007","90","","92.644","0.008","90","","1175.6","0.7","173","2","173","2","","","101.3","","","","","5","P 1 21/c 1","-P 2ybc","14","4,5,6,7-tetrafluorobenzo-2,1,3-telluradiazole pyridine solvate","4,5,6,7-tetrafluorobenzo-2,1,3-telluradiazole pyridine solvate","","- C11 H5 F4 N3 Te -","- C11 H5 F4 N3 Te -","- C44 H20 F16 N12 Te4 -","4","1","","Anthony F. Cozzolino; Pamela S. Whitfield; Ignacio Vargas-Baca","Supramolecular Chromotropism of the Crystalline Phases of 4,5,6,7-Tetrafluorobenzo-2,1,3-telluradiazole","Journal of the American Chemical Society","2010","132","","17265","17270","10.1021/ja107252f","","x-ray","0.71073","MoKα","","0.0844","0.0433","","","0.0791","0.0912","","","","","","0.993","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103622","11.2007","0.0009","11.5746","0.0009","14.1492","0.0012","89.986","0.002","84.365","0.002","68.284","0.001","1694.6","0.2","273","2","273","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H29 B F3 N8 O5 P S W -","- C22 H31 B F3 N9 O7.878 P S2 W -","- C44 H62 B2 F6 N18 O15.756 P2 S4 W2 -","2","1","","Daniel P. Harrison; Michal Sabat; William H. Myers; W. Dean Harman","Polarization of the Pyridine Ring: Highly Functionalized Piperidines from Tungsten-Pyridine Complex","Journal of the American Chemical Society","2010","132","","17282","17295","10.1021/ja107536w","","","0.71073","MoKα","","0.0496","0.0431","","","0.1102","0.1152","","","","","","1.026","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103623","16.5913","0.0006","23.588","0.0009","16.1339","0.0006","90","","94.488","0.001","90","","6294.7","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 B N9 O4 P W -","- C25 H37 B N9 O4 P W -","- C200 H296 B8 N72 O32 P8 W8 -","8","2","","Daniel P. Harrison; Michal Sabat; William H. Myers; W. Dean Harman","Polarization of the Pyridine Ring: Highly Functionalized Piperidines from Tungsten-Pyridine Complex","Journal of the American Chemical Society","2010","132","","17282","17295","10.1021/ja107536w","","","0.71073","MoKα","","0.0505","0.0364","","","0.0996","0.113","","","","","","0.836","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103624","15.38356","0.00008","16.80979","0.00009","37.8732","0.0002","90","","100.227","0.0005","90","","9638.19","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(para-Fluorophenyl)-1,2,2-(2',4',6'-triisopropylphenyl)disilene","","- C51 H73 F Si2 -","- C51 H73 F Si2 -","- C408 H584 F8 Si16 -","8","4","","Jonathan Jeck; Iulia Bejan; Andrew J. P. White; Dominik Nied; Frank Breher; David Scheschkewitz","Transfer of a Disilenyl Moiety to Aromatic Substrates and Lateral Functional Group Transformation in Aryl Disilenes","Journal of the American Chemical Society","2010","132","","17306","17315","10.1021/ja107547s","","","1.54184","CuKα","","0.0519","0.047","","","0.1245","0.1272","","","","","","1.045","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103625","18.55902","0.00009","12.81965","0.00005","21.65869","0.00009","90","","109.634","0.0005","90","","4853.43","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(para-Chlorophenyl)-1,2,2-(2',4',6'-triisopropylphenyl)disilene","","- C51 H73 Cl Si2 -","- C51 H73 Cl Si2 -","- C204 H292 Cl4 Si8 -","4","1","","Jonathan Jeck; Iulia Bejan; Andrew J. P. White; Dominik Nied; Frank Breher; David Scheschkewitz","Transfer of a Disilenyl Moiety to Aromatic Substrates and Lateral Functional Group Transformation in Aryl Disilenes","Journal of the American Chemical Society","2010","132","","17306","17315","10.1021/ja107547s","","","1.54184","CuKα","","0.0434","0.0375","","","0.105","0.1081","","","","","","1.086","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103626","18.5602","0.0003","12.8496","0.00016","21.6993","0.0003","90","","109.514","0.0016","90","","4877.84","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(para-Bromophenyl)-1,2,2-(2',4',6'-triisopropylphenyl)disilene","","- C51 H73 Br Si2 -","- C51 H73 Br Si2 -","- C204 H292 Br4 Si8 -","4","1","","Jonathan Jeck; Iulia Bejan; Andrew J. P. White; Dominik Nied; Frank Breher; David Scheschkewitz","Transfer of a Disilenyl Moiety to Aromatic Substrates and Lateral Functional Group Transformation in Aryl Disilenes","Journal of the American Chemical Society","2010","132","","17306","17315","10.1021/ja107547s","","","0.71073","MoKα","","0.0712","0.0357","","","0.0856","0.0895","","","","","","0.909","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103627","10.2487","0.0007","21.606","0.0015","26.9115","0.0019","68.187","0.002","81.34","0.002","82.16","0.002","5448.3","0.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","meta-Phenylene-tetrasiladiene","1,3-Bis[1',2',2'-Tris(2'',4'',6''-triisopropylphenyl)disilenyl]benzene","","- C117 H163 Si4 -","- C117 H163 Si4 -","- C234 H326 Si8 -","2","1","","Jonathan Jeck; Iulia Bejan; Andrew J. P. White; Dominik Nied; Frank Breher; David Scheschkewitz","Transfer of a Disilenyl Moiety to Aromatic Substrates and Lateral Functional Group Transformation in Aryl Disilenes","Journal of the American Chemical Society","2010","132","","17306","17315","10.1021/ja107547s","","","0.71073","MoKα","","0.0824","0.0656","","","0.1484","0.1585","","","","","","1.107","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103628","9.7794","0.0005","11.7808","0.0006","14.9206","0.0007","106.794","0.002","98.093","0.002","112.487","0.002","1457.9","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H45 Cr N2 -","- C33 H45 Cr N2 -","- C66 H90 Cr2 N4 -","2","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0502","0.0381","","","0.0969","0.1043","","","","","","1.048","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103629","10.6913","0.0017","12.361","0.002","13.55","0.002","70.63","0.005","84.409","0.006","82.845","0.006","1673.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H45 Cr N2 O3 S -","- C37 H45 Cr N2 O3 S -","- C74 H90 Cr2 N4 O6 S2 -","2","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.038","0.0323","","","0.0854","0.0896","","","","","","1.018","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103630","11.3105","0.0007","16.418","0.001","17.7673","0.0011","90","","106.56","0.002","90","","3162.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 Cr N2 O3 S -","- C35 H41 Cr N2 O3 S -","- C140 H164 Cr4 N8 O12 S4 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.049","0.0376","","","0.0959","0.1032","","","","","","1.038","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103631","10.656","0.003","11.407","0.003","14.526","0.004","109.825","0.006","90.183","0.007","110.206","0.007","1544.3","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H48 Cr N2 Si -","- C33 H48 Cr N2 Si -","- C66 H96 Cr2 N4 Si2 -","2","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0388","0.0327","","","0.0888","0.0937","","","","","","1.049","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103632","16.7572","0.0004","10.4447","0.0002","19.8127","0.0004","90","","90.835","0.001","90","","3467.33","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H57 Cr N2 Si -","- C38 H57 Cr N2 Si -","- C152 H228 Cr4 N8 Si4 -","4","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0401","0.036","","","0.0895","0.0926","","","","","","1.019","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103633","10.8474","0.0011","15.7337","0.0014","18.6138","0.0019","90","","90.495","0.004","90","","3176.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H49 Cr N2 Si -","- C34 H49 Cr N2 Si -","- C136 H196 Cr4 N8 Si4 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0494","0.0358","","","0.091","0.099","","","","","","1.035","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103634","10.3499","0.001","11.364","0.0011","14.9073","0.0015","100.74","0.005","104.78","0.005","112.521","0.005","1484.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H45 Cr N2 Si -","- C32 H45 Cr N2 Si -","- C64 H90 Cr2 N4 Si2 -","2","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0507","0.0393","","","0.1058","0.1138","","","","","","1.039","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103635","7.831","0.001","10.996","0.002","14.697","0.003","90.296","0.007","86.824","0.007","73.539","0.007","1211.5","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H35 Cr N2 -","- C28 H35 Cr N2 -","- C56 H70 Cr2 N4 -","2","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0641","0.0458","","","0.1204","0.1505","","","","","","0.966","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103636","11.2229","0.0011","14.2255","0.0015","18.1967","0.0019","110.825","0.003","94.326","0.004","95.051","0.004","2687","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H37 Cr N2 -","- C31 H37 Cr N2 -","- C124 H148 Cr4 N8 -","4","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0837","0.0584","","","0.1518","0.1687","","","","","","1.072","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103637","16.8366","0.0012","20.2245","0.0012","9.8941","0.0008","90","","90","","90","","3369.1","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C38 H53 Cr N2 O -","- C38 H53 Cr N2 O -","- C152 H212 Cr4 N8 O4 -","4","0.5","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71069","MoKα","","0.0897","0.0605","","","0.162","0.1796","","","","","","1.027","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103638","20.291","0.0005","9.54","0.0004","29.399","0.001","90","","90","","90","","5690.9","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H34 Cl0 Cr N2 O0 -","- C33.12 H38.01 Cl0.11 Cr N2 -","- C264.96 H304.08 Cl0.88 Cr8 N16 -","8","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0642","0.0472","","","0.1193","0.128","","","","","","1.038","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103639","14.176","0.0013","13.2281","0.0012","28.386","0.003","90","","90","","90","","5323","0.9","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H39 Cr N2 -","- C30 H39 Cr N2 -","- C240 H312 Cr8 N16 -","8","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0674","0.0582","","","0.1506","0.1565","","","","","","1.15","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103640","32.4301","0.0013","20.398","0.0009","10.0444","0.0004","90","","90","","90","","6644.5","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H55 Cr N2 -","- C38 H55 Cr N2 -","- C304 H440 Cr8 N16 -","8","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0453","0.0331","","","0.0776","0.0835","","","","","","1.063","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103641","9.1543","0.0007","11.2955","0.001","13.0131","0.0011","114.359","0.005","95.866","0.005","90.008","0.005","1218.05","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 Cr N3 -","- C28 H32 Cr N3 -","- C56 H64 Cr2 N6 -","2","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0684","0.041","","","0.0899","0.1026","","","","","","1.032","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103642","10.1851","0.0003","15.689","0.0005","17.1502","0.0005","90","","95.328","0.002","90","","2728.66","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 Cr N2 -","- C33 H37 Cr N2 -","- C132 H148 Cr4 N8 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0455","0.0355","","","0.0942","0.1014","","","","","","1.023","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103643","19.3249","0.0005","9.0312","0.0002","20.0983","0.0005","90","","98.613","0.001","90","","3468.14","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H53 Cr N2 -","- C41 H53 Cr N2 -","- C164 H212 Cr4 N8 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0373","0.0316","","","0.0837","0.0874","","","","","","1.039","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103644","8.6214","0.0014","19.146","0.003","9.5494","0.0015","90","","102.381","0.007","90","","1539.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C37 H45 Cr N2 -","- C37 H45 Cr N2 -","- C74 H90 Cr2 N4 -","2","0.5","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0458","0.0369","","","0.0975","0.103","","","","","","1.054","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103645","16.038","0.005","16.383","0.005","11.162","0.004","90","","100.889","0.014","90","","2880","1.6","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C35 H41 Cr N2 -","- C35 H41 Cr N2 -","- C140 H164 Cr4 N8 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.036","0.0314","","","0.0751","0.0776","","","","","","1.032","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103646","11.1582","0.0004","16.9822","0.0007","15.2142","0.0006","90","","101.161","0.002","90","","2828.43","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 Cr N2 -","- C34 H39 Cr N2 -","- C136 H156 Cr4 N8 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.105","0.0646","","","0.1467","0.1665","","","","","","1.084","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103647","9.3624","0.0011","12.2408","0.0014","12.6542","0.0015","65.485","0.003","89.588","0.003","87.589","0.003","1318.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H35 Cr N2 -","- C32 H35 Cr N2 -","- C64 H70 Cr2 N4 -","2","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0489","0.0402","","","0.1121","0.1187","","","","","","1.061","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103648","13.9048","0.0003","13.1968","0.0003","28.0798","0.0006","90","","90","","90","","5152.6","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H37 Cr N2 -","- C30 H37 Cr N2 -","- C240 H296 Cr8 N16 -","8","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0873","0.0512","","","0.1087","0.1244","","","","","","1.013","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103649","7.853","0.005","13.783","0.005","22.07","0.005","90","0.005","90.8","0.005","90","0.005","2388.6","1.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 Cr N2 -","- C28 H31 Cr N2 -","- C112 H124 Cr4 N8 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71069","MoKα","","0.0673","0.0467","","","0.1004","0.1119","","","","","","1.064","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103650","9.8834","0.0013","15.9186","0.0019","17.127","0.002","90","","92.837","0.003","90","","2691.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Cr N2 S -","- C32 H35 Cr N2 S -","- C128 H140 Cr4 N8 S4 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0586","0.0445","","","0.1181","0.1248","","","","","","1.077","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103651","20.376","0.006","16.9","0.005","10.96","0.003","90","","90","","90","","3774.1","1.9","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C73 Cl4 S2 -","- C73 Cl4 S2 -","- C292 Cl16 S8 -","4","0.5","","Karolin Ziegler; Andreas Mueller; Konstantin Yu. Amsharov; Martin Jansen","Disclosure of the Elusive C2v-C72 Carbon Cage","Journal of the American Chemical Society","2010","132","","17099","17101","10.1021/ja108470p","","","0.71073","MoKα","","0.1035","0.0839","","","0.2529","0.2761","","","","","","1.23","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103652","20.377","0.004","16.863","0.003","10.972","0.002","90","","90","","90","","3770.2","1.2","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","C72Cl4","","","- C73 Cl4 S2 -","- C73 Cl4 S2 -","- C292 Cl16 S8 -","4","0.5","","Yuan-Zhi Tan; Ting Zhou; Jian Bao; Gui-Juan Shan; Su-Yuan Xie; Rong-Bin Huang; Lan-Sun Zheng","C72Cl4: A Pristine Fullerene with Favorable Pentagon-Adjacent Structure","Journal of the American Chemical Society","2010","132","","17102","17104","10.1021/ja108860y","","","0.71073","MoKα","","0.0842","0.0783","","","0.2211","0.2277","","","","","","1.079","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103653","3.966833","0.000086","11.54303","0.00061","7.99022","0.0004","90.2089","0.0078","89.8747","0.0062","90.0009","0.0022","365.86","0.03","","","84","","","","101.3","","","","","4","P -1","-P 1","2","4,5,6,7-tetrafluorobenzo-2,1,3-telluradiazole","4,5,6,7-tetrafluorobenzo-2,1,3-telluradiazole","","- C6 F4 N2 Te -","- C6 F4 N2 Te -","- C12 F8 N4 Te2 -","2","1","","Anthony F. Cozzolino; Pamela S. Whitfield; Ignacio Vargas-Baca","Supramolecular Chromotropism of the Crystalline Phases of 4,5,6,7-Tetrafluorobenzo-2,1,3-telluradiazole","Journal of the American Chemical Society","2010","132","","17265","17270","10.1021/ja107252f","","x-ray","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103654","5.8081","0.0003","12.9504","0.0005","45.9633","0.002","90","","90","","90","","3457.2","0.3","93.1","","93.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H43 N O8 -","- C39 H43 N O8 -","- C156 H172 N4 O32 -","4","1","","Yasuhiro Ishida; Ammathnadu S. Achalkumar; Shun-ya Kato; Yukiko Kai; Aya Misawa; Yumi Hayashi; Kuniyo Yamada; Yuki Matsuoka; Motoo Shiro; Kazuhiko Saigo","Tunable Chiral Reaction Media Based on Two-Component Liquid Crystals: Regio-, Diastereo-, and Enantiocontrolled Photodimerization of Anthracenecarboxylic Acids","Journal of the American Chemical Society","2010","132","","17435","17446","10.1021/ja105221u","","","1.54187","CuKα","","","0.0997","","","","0.2928","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103655","15.924","0.002","16.524","0.003","20.318","0.003","90","","90","","90","","5346.2","1.4","125.2","","125.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H40 N2 Yb -","- C31 H40 N2 Yb -","- C248 H320 N16 Yb8 -","8","1","","Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen","Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines","Journal of the American Chemical Society","2010","132","","17537","17549","10.1021/ja106902s","","","0.7107","MoKα","","0.0883","0.037","","0.0488","","0.0395","","","","","","1.461","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103656","14.127","0.001","15.283","0.001","15.312","0.001","90","","92.18","0.002","90","","3303.5","0.4","154.2","","154.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 N2 Yb -","- C38 H48 N2 Yb -","- C152 H192 N8 Yb4 -","4","1","","Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen","Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines","Journal of the American Chemical Society","2010","132","","17537","17549","10.1021/ja106902s","","","0.7107","MoKα","","0.0637","0.037","","0.0497","","0.0432","","","","","","1.229","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103657","18.0976","0.0018","15.994","0.0016","19.676","0.002","90","","90","","90","","5695.3","1","156","2","156","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyb5dmb","cyb5","","- C32 H42 N2 Yb -","- C32 H42 N2 Yb -","- C256 H336 N16 Yb8 -","8","1","","Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen","Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines","Journal of the American Chemical Society","2010","132","","17537","17549","10.1021/ja106902s","","","0.71073","MoKα","","0.0392","0.0266","","","0.0574","0.0628","","","","","","1.016","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103658","23.847","0.002","15.177","0.0015","31.291","0.003","90","","90","","90","","11325","1.8","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H42 N2 Yb -","- C34 H41.5 N2 Yb -","- C544 H664 N32 Yb16 -","16","2","","Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen","Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines","Journal of the American Chemical Society","2010","132","","17537","17549","10.1021/ja106902s","","","0.71073","MoKα","","0.118","0.0507","","","0.1002","0.1205","","","","","","0.98","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103659","6.8236","0.0001","6.8236","0.0001","3.7518","0.0001","90","","90","","90","","174.689","0.006","150","2","150","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","calcium lithium carbide hydride","calcium lithium carbide hydride","","- C3 H Ca2 Li -","- C3 H Ca2 Li -","- C6 H2 Ca4 Li2 -","2","0.125","","David A. Lang; Julia V. Zaikina; Derek D. Lovingood; Thomas E. Gedris; Susan E. Latturner","Ca2LiC3H: A New Complex Carbide Hydride Phase Grown in Metal Flux","Journal of the American Chemical Society","2010","132","","17523","17530","10.1021/ja107436n","","","0.71073","MoKα","","0.0165","0.0151","","","0.0399","0.0407","","","","","","1.149","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103660","5.9696","0.0012","3.6022","0.0008","6.8336","0.0014","90","","90","","90","","146.95","0.05","150","2","150","2","","","","","","","","2","P n m a","-P 2ac 2n","62","calcium hydride","calcium hydride","","- Ca H2 -","- Ca H2 -","- Ca4 H8 -","4","0.5","","David A. Lang; Julia V. Zaikina; Derek D. Lovingood; Thomas E. Gedris; Susan E. Latturner","Ca2LiC3H: A New Complex Carbide Hydride Phase Grown in Metal Flux","Journal of the American Chemical Society","2010","132","","17523","17530","10.1021/ja107436n","","","0.71073","MoKα","","0.0212","0.0211","","","0.0529","0.053","","","","","","1.215","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103661","12.3235","0.0007","12.3235","0.0007","24.44","0.004","90","","90","","90","","3711.7","0.7","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C38 H22 Mo2 N2 O9 -","- C38 H22 Mo2 N2 O9 -","- C152 H88 Mo8 N8 O36 -","4","0.25","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1493","0.0936","","","0.1864","0.2086","","","","","","1.007","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103662","13.914","0.004","14.263","0.004","17.484","0.005","72.778","0.003","87.742","0.003","67.93","0.003","3061.2","1.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H84 Mo4 N4 O20 -","- C116 H84 Mo4 N4 O20 -","- C116 H84 Mo4 N4 O20 -","1","0.5","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.0842","0.049","","","0.1132","0.1249","","","","","","1.016","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103663","21.868","0.016","30.763","0.016","21.215","0.013","90","","90.322","0.011","90","","14272","16","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C124 H124 Mo4 N4 O24 S8 -","- C124 H124 Mo4 N4 O24 S8 -","- C496 H496 Mo16 N16 O96 S32 -","4","0.5","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1009","0.0671","","","0.1518","0.1632","","","","","","1.015","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103664","11.62","0.007","26.165","0.016","52.45","0.03","90","","93.314","0.008","90","","15920","16","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H48 Mo6 O30 -","- C96 H48 Mo6 O30 -","- C384 H192 Mo24 O120 -","4","1","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1359","0.0998","","","0.2103","0.221","","","","","","1.045","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103665","16.956","0.005","42.663","0.012","33.176","0.008","90","","113.312","0.012","90","","22040","11","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C164 H117 Mo6 N5 O30 -","- C164 H117 Mo6 N5 O30 -","- C656 H468 Mo24 N20 O120 -","4","1","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1678","0.0912","","","0.192","0.2029","","","","","","1.013","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103666","35.614","0.004","35.614","0.004","35.614","0.004","90","","90","","90","","45171","9","110","2","110","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- C144 H72 Mo6 O30 -","- C144 H72 Mo6 O30 -","- C1152 H576 Mo48 O240 -","8","0.333333","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.2644","0.1061","","","0.1816","0.2097","","","","","","1.05","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103667","25.807","0.002","25.807","0.002","29.78","0.005","90","","90","","120","","17176","3","110","2","110","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C156 H96 Mo6 O42 -","- C156 H96 Mo6 O42 -","- C312 H192 Mo12 O84 -","2","0.166667","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.354","0.0975","","","0.1645","0.1997","","","","","","1.02","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103668","34.997","0.003","34.997","0.003","39.893","0.007","90","","90","","120","","42314","9","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H156 Mo12 N24 O54 -","- C204 H156 Mo12 N24 O54 -","- C612 H468 Mo36 N72 O162 -","3","0.166667","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1099","0.0618","","","0.1327","0.1402","","","","","","1.004","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103669","28.41","0.011","28.674","0.011","45.274","0.017","91.126","0.005","91.473","0.006","105.233","0.006","35561","2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C312 H180 Mo12 N12 O55 -","- C312 H180 Mo12 N12 O55 -","- C624 H360 Mo24 N24 O110 -","2","1","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1952","0.0632","","","0.1072","0.1225","","","","","","0.683","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103670","26.83","0.03","33.23","0.03","27.88","0.03","90","","91.117","0.014","90","","24852","4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C312 H336 Mo24 N40 O124 -","- C312 H336 Mo24 N40 O124 -","- C624 H672 Mo48 N80 O248 -","2","0.5","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.2008","0.0812","","","0.1601","0.1893","","","","","","0.804","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103671","31.651","0.008","31.651","0.008","32.246","0.016","90","","90","","90","","32304","2","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H336 Mo24 N40 O152 -","- C312 H336 Mo24 N40 O152 -","- C624 H672 Mo48 N80 O304 -","2","0.125","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1282","0.0754","","","0.1656","0.1805","","","","","","1.012","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103672","25.6486","0.0016","25.682","0.003","29.181","0.003","65.481","0.001","63.982","0.001","86.865","0.001","15524","3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C288 H288 Mo24 O118 -","- C288 H288 Mo24 O118 -","- C288 H288 Mo24 O118 -","1","0.5","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1115","0.0618","","","0.1306","0.1404","","","","","","1.027","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103673","33.052","0.002","33.052","0.002","33.833","0.004","90","","90","","120","","32009","5","110","2","110","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C288 H144 Mo24 O120 -","- C288 H144 Mo24 O120 -","- C576 H288 Mo48 O240 -","2","0.166667","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.143","0.0768","","","0.1507","0.166","","","","","","1.018","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103674","15.91","0.001","15.91","0.001","18.953","0.003","90","","90","","120","","4154.8","0.8","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C27 H36 N4 O6 -","- C27 H36 N4 O6 -","- C162 H216 N24 O36 -","6","0.333333","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.0745","0.0446","","","0.1029","0.1184","","","","","","1.02","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103675","8.8739","0.0003","10.2972","0.0004","13.4184","0.0005","105.857","0.001","101.177","0.001","97.514","0.001","1134.95","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 Br3 N -","- C24 H24 Br3 N -","- C48 H48 Br6 N2 -","2","1","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.0478","0.0374","","","0.0954","0.0999","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103676","10.6831","0.0008","11.753","0.0008","19.2189","0.0014","80.627","0.001","79.368","0.001","83.438","0.001","2331.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cl2 N O3 -","- C25 H29 Cl2 N O3 -","- C100 H116 Cl8 N4 O12 -","4","2","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.0589","0.045","","","0.1153","0.1256","","","","","","1.027","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103677","8.3253","0.0003","9.258","0.0004","19.6238","0.0008","86.464","0.001","80.668","0.001","70.363","0.001","1405.65","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25.25 H26 Cl2 Mn2 N4 O6.38 -","- C25.25 H26 Cl2 Mn2 N4 O6.375 -","- C50.5 H52 Cl4 Mn4 N8 O12.75 -","2","1","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.0353","0.0298","","","0.0724","0.0754","","","","","","1.036","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103678","15.2562","0.0006","15.2562","0.0006","40.444","0.003","90","","90","","120","","8152.2","0.8","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C42 H66 Cl3 Cu3 F6 N10 O6 P2 -","- C42 H66 Cl3 Cu3 F6 N10 O6 P2 -","- C252 H396 Cl18 Cu18 F36 N60 O36 P12 -","6","0.333333","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.0481","0.0406","","","0.108","0.1131","","","","","","1.079","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103679","15.256","0.003","15.256","0.003","40.393","0.016","90","","90","","120","","8142","4","100","2","100","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C42 H66 As Cl3 Cu3 F6 N10 O5.75 P -","- C42 H66 As Cl3 Cu3 F6 N10 O5.75 P -","- C252 H396 As6 Cl18 Cu18 F36 N60 O34.5 P6 -","6","0.333333","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.1335","0.0855","","","0.2481","0.2851","","","","","","1.045","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103680","16.081","0.004","17.7073","0.0018","20.483","0.002","113.919","0.002","108.197","0.002","91.932","0.002","4977.9","1.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C104 H213.02 Cl4.34 Mn8 N24 Na4.34 O74.17 P10 -","- C104 H213.018 Cl4.336 Mn8 N24 Na4.3362 O74.1692 P10 -","- C104 H213.018 Cl4.336 Mn8 N24 Na4.3362 O74.1692 P10 -","1","0.5","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.0863","0.0581","","","0.1582","0.1713","","","","","","1.04","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103681","16.2253","0.0009","17.4347","0.0009","18.0696","0.001","66.528","0.001","74.244","0.001","87.945","0.001","4497.3","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C76.75 H87.5 Cl2 Co3 F18 N15.5 O5.5 P4 -","- C76.75 H87.5 Cl2 Co3 F18 N15.5 O5.5 P4 -","- C153.5 H175 Cl4 Co6 F36 N31 O11 P8 -","2","1","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.071","0.0555","","","0.1441","0.1548","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103682","11.8671","0.0016","14.0629","0.0018","14.0671","0.0017","71.37","0.006","81.391","0.008","87.499","0.01","2199.5","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2K-8-100-dp","","- C58.7 H34.7 Cl1.1 O8 -","- C58.7 H34.7 Cl1.1 O8 -","- C117.4 H69.4 Cl2.2 O16 -","2","1","","Kaiyan Lou; Allan M. Prior; Bernard Wiredu; John Desper; Duy H. Hua","Synthesis of Cyclododeciptycene Quinones","Journal of the American Chemical Society","2010","132","","17635","17641","10.1021/ja1088309","","","0.71073","MoKα","","0.1601","0.0859","","","0.21","0.2528","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103683","33.0333","0.0017","33.0333","0.0017","33.0333","0.0017","90","","90","","90","","36046","3","100","2","100","2","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","","","- C90 H53 O13 -","- C89.952 H52.86 O12.996 -","- C1439.23 H845.76 O207.936 -","16","0.166667","","Kaiyan Lou; Allan M. Prior; Bernard Wiredu; John Desper; Duy H. Hua","Synthesis of Cyclododeciptycene Quinones","Journal of the American Chemical Society","2010","132","","17635","17641","10.1021/ja1088309","","","0.71073","MoKα","","0.1561","0.1065","","","0.2727","0.2986","","","","","","1.768","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103684","11.6556","0.0002","12.0214","0.0002","22.0847","0.0004","103.13","0.0014","99.9454","0.0015","91.5909","0.0014","2961.01","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H116 N20 O8 U4 -","- C140 H116 N20 O8 U4 -","- C140 H116 N20 O8 U4 -","1","0.5","","Clément Camp; Victor Mougel; Pawel Horeglad; Jacques Pécaut; Marinella Mazzanti","Multielectron Redox Reactions Involving C-C Coupling and Cleavage in Uranium Schiff Base Complexes","Journal of the American Chemical Society","2010","132","","17374","17377","10.1021/ja1089364","","","0.71073","MoKα","","0.0721","0.0459","","","0.1039","0.1083","","","","","","0.853","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103685","11.0533","0.0004","16.159","0.0005","18.3135","0.0006","90","","104.828","0.004","90","","3162.05","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 N4 O4 U -","- C40 H28 N4 O4 U -","- C160 H112 N16 O16 U4 -","4","1","","Clément Camp; Victor Mougel; Pawel Horeglad; Jacques Pécaut; Marinella Mazzanti","Multielectron Redox Reactions Involving C-C Coupling and Cleavage in Uranium Schiff Base Complexes","Journal of the American Chemical Society","2010","132","","17374","17377","10.1021/ja1089364","","","0.71073","MoKα","","0.0845","0.0464","","","0.0907","0.0958","","","","","","0.784","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103686","14.019","0.003","45.018","0.009","14.96","0.003","90","","116.62","0.03","90","","8441","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C87.27 H99.27 N8.65 Na2 O16 U -","- C87.26 H99.26 N8.652 Na2 O16 U -","- C349.04 H397.04 N34.608 Na8 O64 U4 -","4","1","","Clément Camp; Victor Mougel; Pawel Horeglad; Jacques Pécaut; Marinella Mazzanti","Multielectron Redox Reactions Involving C-C Coupling and Cleavage in Uranium Schiff Base Complexes","Journal of the American Chemical Society","2010","132","","17374","17377","10.1021/ja1089364","","","0.71073","MoKα","","0.1213","0.0581","","","0.0977","0.1083","","","","","","0.907","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103687","15.209","0.0013","17.2523","0.0014","15.051","0.001","90","","99.689","0.007","90","","3892.9","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 F6 N2 O11 S2 U -","- C34 H38 F6 N2 O11 S2 U -","- C136 H152 F24 N8 O44 S8 U4 -","4","1","","Clément Camp; Victor Mougel; Pawel Horeglad; Jacques Pécaut; Marinella Mazzanti","Multielectron Redox Reactions Involving C-C Coupling and Cleavage in Uranium Schiff Base Complexes","Journal of the American Chemical Society","2010","132","","17374","17377","10.1021/ja1089364","","","0.71073","MoKα","","0.1297","0.0791","","","0.1866","0.2069","","","","","","0.936","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103688","27.5","0.003","19.024","0.002","19.263","0.002","90","","90","","90","","10077.6","1.9","90","2","90","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C52.75 H74.75 Fe2 O2 -","- C49 H66 Fe2 O2 -","- C392 H528 Fe16 O16 -","8","1","","Hao Lei; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Philip P. Power","Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds","Journal of the American Chemical Society","2010","132","","17399","17401","10.1021/ja1089777","","","0.71073","MoKα","","0.075","0.055","","","0.1257","0.1341","","","","","","0.995","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103689","28.5365","0.0006","18.6658","0.0004","18.8017","0.0004","90","","90","","90","","10014.8","0.4","90","2","90","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C49 H66 Cr Fe O2 -","- C49 H66 Cr Fe O2 -","- C392 H528 Cr8 Fe8 O16 -","8","1","","Hao Lei; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Philip P. Power","Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds","Journal of the American Chemical Society","2010","132","","17399","17401","10.1021/ja1089777","","","1.54178","CuKα","","0.0308","0.0305","","","0.0897","0.09","","","","","","1.102","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103690","27.3962","0.0016","19.0486","0.0011","19.3019","0.0011","90","","90","","90","","10072.9","1","90","2","90","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C52.75 H74.75 Fe Mn O2 -","- C49 H66 Fe Mn O2 -","- C392 H528 Fe8 Mn8 O16 -","8","1","","Hao Lei; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Philip P. Power","Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds","Journal of the American Chemical Society","2010","132","","17399","17401","10.1021/ja1089777","","","0.71073","MoKα","","0.0537","0.0392","","","0.0882","0.0932","","","","","","0.992","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103691","6.2641","0.0015","9.299","0.002","21.269","0.006","90","","90","","90","","1238.9","0.5","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 F N O2 S -","- C12 H14 F N O2 S -","- C48 H56 F4 N4 O8 S4 -","4","1","","Matthew H. Katcher; Abigail G. Doyle","Palladium-Catalyzed Asymmetric Synthesis of Allylic Fluorides","Journal of the American Chemical Society","2010","132","","17402","17404","10.1021/ja109120n","","","0.71073","MoKα","","0.0581","0.045","","","0.1027","0.1112","","","","","","1.041","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103692","11.299","0.002","12.053","0.002","12.362","0.002","115.343","0.003","94.307","0.003","100.069","0.003","1476.7","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","07067c","","","- C50 H43 F12 Fe N11 O8 S2 -","- C40 H28 F12 Fe N6 O8 S2 -","- C40 H28 F12 Fe N6 O8 S2 -","1","0.5","","Paul D. Oldenburg; Yan Feng; Iweta Pryjomska-Ray; Daniel Ness; Lawrence Que","Olefin Cis-Dihydroxylation with Bio-Inspired Iron Catalysts. Evidence for an FeII/FeIV Catalytic Cycle","Journal of the American Chemical Society","2010","132","","17713","17723","10.1021/ja1021014","","","0.71073","MoKα","","0.0588","0.0495","","","0.142","0.1471","","","","","","1.121","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103693","11.2171","0.0012","11.2665","0.0012","11.9035","0.0013","88.168","0.002","83.446","0.002","62.227","0.002","1322","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","07081a","","","- C48 H46 F6 Fe N10 O10 S2 -","- C48 H46 F6 Fe N10 O10 S2 -","- C48 H46 F6 Fe N10 O10 S2 -","1","0.5","","Paul D. Oldenburg; Yan Feng; Iweta Pryjomska-Ray; Daniel Ness; Lawrence Que","Olefin Cis-Dihydroxylation with Bio-Inspired Iron Catalysts. Evidence for an FeII/FeIV Catalytic Cycle","Journal of the American Chemical Society","2010","132","","17713","17723","10.1021/ja1021014","","","0.71073","MoKα","","0.0746","0.0459","","","0.1011","0.1092","","","","","","1.096","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103694","11.9738","0.0013","13.2467","0.0015","19.321","0.002","77.934","0.007","72.938","0.007","69.865","0.007","2730.6","0.5","193","2","193","2","","","","","","","","10","P -1","-P 1","2","","","","- C45 H49 B2 Cl4 F8 Fe2 N2 O3 P3 S2 -","- C45 H49 B2 Cl4 F8 Fe2 N2 O3 P3 S2 -","- C90 H98 B4 Cl8 F16 Fe4 N4 O6 P6 S4 -","2","1","","Matthew T. Olsen; Thomas B. Rauchfuss; Scott R. Wilson","Role of the Azadithiolate Cofactor in Models for [FeFe]-Hydrogenase: Novel Structures and Catalytic Implications","Journal of the American Chemical Society","2010","132","","17733","17740","10.1021/ja103998v","","","0.71073","MoKα","","0.2969","0.0796","","","0.1594","0.2443","","","","","","0.908","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103695","16.025","0.003","20.624","0.004","21.736","0.004","92.21","0.02","109.19","0.02","100.89","0.02","6623","2","301","2","301","2","","","","","","","","7","P -1","-P 1","2","","","","- C204 H198 Au18 F36 O2 P24 S6 -","- C204 H198 Au18 F36 O2 P24 S6 -","- C204 H198 Au18 F36 O2 P24 S6 -","1","0.5","","Terence Kwok-Ming Lee; Nianyong Zhu; Vivian Wing-Wah Yam","An Unprecedented Luminescent Polynuclear Gold(I) μ3-Sulfido Cluster With a Thiacrown-like Architecture","Journal of the American Chemical Society","2010","132","","17646","17648","10.1021/ja1055017","","","0.71073","MoKα","","0.09","0.0534","","","0.1552","0.1785","","","","","","1.038","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103696","14.241","0.005","8.419","0.003","15.213","0.005","90","","112.926","0.003","90","","1679.9","1","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O6 S2 V -","- C14 H17 N O6 S2 V -","- C56 H68 N4 O24 S8 V4 -","4","1","","Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; L. A. ""Pete"" Silks; David L. Thorn","Mechanism of Alcohol Oxidation by Dipicolinate Vanadium(V): Unexpected Role of Pyridine","Journal of the American Chemical Society","2010","132","","17804","17816","10.1021/ja105739k","","","0.71073","MoKα","","0.0476","0.0372","","","0.0967","0.1023","","","","","","1.331","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103697","17.231","0.01","14.738","0.008","17.25","0.01","90","","96.968","0.007","90","","4348","4","140","1","140","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 N4 O6 V -","- C18 H12 N3 O6 V -","- C144 H96 N24 O48 V8 -","8","1","","Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; L. A. ""Pete"" Silks; David L. Thorn","Mechanism of Alcohol Oxidation by Dipicolinate Vanadium(V): Unexpected Role of Pyridine","Journal of the American Chemical Society","2010","132","","17804","17816","10.1021/ja105739k","","","0.71073","MoKα","","0.0836","0.0587","","","0.1522","0.163","","","","","","1.065","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103698","8.9203","0.001","15.9259","0.0019","11.4477","0.0013","90","","92.305","0.013","90","","1625","0.3","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N2 O3 V -","- C15 H15 N2 O6 V -","- C60 H60 N8 O24 V4 -","4","1","","Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; L. A. ""Pete"" Silks; David L. Thorn","Mechanism of Alcohol Oxidation by Dipicolinate Vanadium(V): Unexpected Role of Pyridine","Journal of the American Chemical Society","2010","132","","17804","17816","10.1021/ja105739k","","","0.71073","MoKα","","0.0602","0.0348","","","0.0693","0.0761","","","","","","0.793","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103699","14.097","0.006","14.762","0.007","34.122","0.014","90","","90.415","0.007","90","","7101","5","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C118 H56 La2 Si -","- C118 H56 La2.002 Si -","- C472 H224 La8.008 Si4 -","4","1","","Michio Yamada; Mari Minowa; Satoru Sato; Masahiro Kako; Zdenek Slanina; Naomi Mizorogi; Takahiro Tsuchiya; Yutaka Maeda; Shigeru Nagase; Takeshi Akasaka","Thermal Carbosilylation of Endohedral Dimetallofullerene La2@Ih-C80 with Silirane","Journal of the American Chemical Society","2010","132","","17953","17960","10.1021/ja108671b","","x-ray","0.6889","synchrotron","","0.2287","0.1214","","","0.3428","0.368","","","","","","0.978","","","","has coordinates,has disorder","295947","2024-11-15","22:25:06",""
"4103700","20.9194","0.0007","21.4218","0.0004","21.4404","0.0008","91.558","0.002","118.826","0.004","115.036","0.002","7295.9","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C132 H316 Ag62 B4 F16 O10 S45 -","- C132 H288 Ag62 B4 F16 O10 S45 -","- C132 H288 Ag62 B4 F16 O10 S45 -","1","0.5","","Gen Li; Zhen Lei; Quan-Ming Wang","Luminescent Molecular Ag-S Nanocluster [Ag62S13(SBut)32](BF4)4","Journal of the American Chemical Society","2010","132","","17678","17679","10.1021/ja108684m","","","0.71073","MoKα","","0.1086","0.0581","","","0.1645","0.1817","","","","","","0.978","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103701","10.8863","0.0005","13.4489","0.0005","16.2121","0.0007","90","","96.366","0.001","90","","2358.96","0.17","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B Mg N3 O3 -","- C22 H32 B Mg N3 O3 -","- C88 H128 B4 Mg4 N12 O12 -","4","1","","James F. Dunne; D. Bruce Fulton; Arkady Ellern; Aaron D. Sadow","Concerted C-N and C-H Bond Formation in a Magnesium-Catalyzed Hydroamination","Journal of the American Chemical Society","2010","132","","17680","17683","10.1021/ja108881s","","","0.71073","MoKα","","0.0508","0.0368","","","0.0924","0.1011","","","","","","0.959","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103702","10.8305","0.001","16.6235","0.0015","17.299","0.0016","98.553","0.002","103.684","0.002","95.163","0.002","2967","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H77 B2 Mg N6 O6 -","- C59 H77 B2 Mg N6 O6 -","- C118 H154 B4 Mg2 N12 O12 -","2","1","","James F. Dunne; D. Bruce Fulton; Arkady Ellern; Aaron D. Sadow","Concerted C-N and C-H Bond Formation in a Magnesium-Catalyzed Hydroamination","Journal of the American Chemical Society","2010","132","","17680","17683","10.1021/ja108881s","","","0.71073","MoKα","","0.1061","0.0814","","","0.2077","0.2254","","","","","","1.245","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103703","4.237","0.0013","15.17","0.005","6.0214","0.0019","90","","90","","90","","387","0.2","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mn -","- Ba F4 Mn -","- Ba4 F16 Mn4 -","4","0.5","","Sun Woo Kim; Hong Young Chang; P. Shiv Halasyamani","Selective Pure-Phase Synthesis of the Multiferroic BaMF4 (M = Mg, Mn, Co, Ni, and Zn) Family","Journal of the American Chemical Society","2010","132","","17684","17685","10.1021/ja108965s","","","0.71073","MoKα","","0.0388","0.0379","","","0.0925","0.0931","","","","","","1.076","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103704","4.2173","0.0004","14.6573","0.0014","5.8656","0.0006","90","","90","","90","","362.58","0.06","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba Co F4 -","- Ba Co F4 -","- Ba4 Co4 F16 -","4","0.5","","Sun Woo Kim; Hong Young Chang; P. Shiv Halasyamani","Selective Pure-Phase Synthesis of the Multiferroic BaMF4 (M = Mg, Mn, Co, Ni, and Zn) Family","Journal of the American Chemical Society","2010","132","","17684","17685","10.1021/ja108965s","","","0.71073","MoKα","","0.0161","0.016","","","0.0412","0.0413","","","","","","1.158","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103705","4.1591","0.0009","14.492","0.003","5.8078","0.0012","90","","90","","90","","350.06","0.13","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Ni -","- Ba F4 Ni -","- Ba4 F16 Ni4 -","4","0.5","","Sun Woo Kim; Hong Young Chang; P. Shiv Halasyamani","Selective Pure-Phase Synthesis of the Multiferroic BaMF4 (M = Mg, Mn, Co, Ni, and Zn) Family","Journal of the American Chemical Society","2010","132","","17684","17685","10.1021/ja108965s","","","0.71073","MoKα","","0.0294","0.0262","","","0.0501","0.051","","","","","","1.126","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103706","6.9146","0.0001","24.6124","0.0004","16.4864","0.0002","90","","111.042","0.001","90","","2618.64","0.07","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cl2 N2 O6 -","- C28 H22 Cl2 N2 O6 -","- C112 H88 Cl8 N8 O24 -","4","1","","Chao Feng; Teck-Peng Loh","Palladium-Catalyzed Bisolefination of C-C Triple Bonds: A Facile Method for the Synthesis of Naphthalene Derivatives","Journal of the American Chemical Society","2010","132","","17710","17712","10.1021/ja108998d","","","0.71073","MoKα","","0.1265","0.0931","","","0.2787","0.3216","","","","","","1.037","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103707","13.167","0.015","17.558","0.019","13.564","0.016","90","","90","","90","","3136","6","183","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H24 Ca N2 O16 Zn2 -","- C24 H24 Ca N2 O16 Zn2 -","- C96 H96 Ca4 N8 O64 Zn8 -","4","0.5","","Ruqiang Zou; Ruiqin Zhong; Songbai Han; Hongwu Xu; Anthony K. Burrell; Neil Henson; Jonathan L. Cape; Donald D. Hickmott; Tatiana V. Timofeeva; Toti E. Larson; Yusheng Zhao","A Porous Metal-Organic Replica of α-PbO2 for Capture of Nerve Agent Surrogate","Journal of the American Chemical Society","2010","132","","17996","17999","10.1021/ja101440z","","","0.71073","MoKα","","0.0658","0.0618","","","0.1569","0.1608","","","","","","1.029","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103708","14.7696","0.0003","14.7696","0.0003","14.7696","0.0003","90","","90","","90","","3221.86","0.11","128","2","128","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","[Na(THF)][tpatBuFe]","","","- C31 H47 Fe N4 Na O -","- C31.02 H39 Fe N4 Na O0.99 -","- C124.08 H156 Fe4 N16 Na4 O3.96 -","4","0.333333","","W. Hill Harman; T. David Harris; Danna E. Freedman; Henry Fong; Alicia Chang; Jeffrey D. Rinehart; Andrew Ozarowski; Moulay T. Sougrati; Fernande Grandjean; Gary J. Long; Jeffrey R. Long; Christopher J. Chang","Slow Magnetic Relaxation in a Family of trigonal Pyramidal Iron(II) Pyrrolide Complexes","Journal of the American Chemical Society","2010","132","","18115","18126","10.1021/ja105291x","","","0.71073","MoKα","","0.0311","0.0284","","","0.0762","0.0775","","","","","","1.103","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103709","11.36","0.0017","12.028","0.0018","17.881","0.003","76.897","0.002","73.871","0.002","69.85","0.002","2180","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","[Na(DME)3][tpaPhFe]","","","- C45 H57 Fe N4 Na O6 -","- C45 H57 Fe N4 Na O6 -","- C90 H114 Fe2 N8 Na2 O12 -","2","1","","W. Hill Harman; T. David Harris; Danna E. Freedman; Henry Fong; Alicia Chang; Jeffrey D. Rinehart; Andrew Ozarowski; Moulay T. Sougrati; Fernande Grandjean; Gary J. Long; Jeffrey R. Long; Christopher J. Chang","Slow Magnetic Relaxation in a Family of trigonal Pyramidal Iron(II) Pyrrolide Complexes","Journal of the American Chemical Society","2010","132","","18115","18126","10.1021/ja105291x","","","0.71073","MoKα","","0.0922","0.0472","","","0.1027","0.125","","","","","","1.015","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103710","13.467","0.002","18.827","0.004","20.082","0.004","90","","90","","90","","5091.7","1.7","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[K(DME{4)][tpaDFPFe]","","","- C49 H61 F6 Fe K N4 O8 -","- C49 H61 F6 Fe K N4 O8 -","- C196 H244 F24 Fe4 K4 N16 O32 -","4","1","","W. Hill Harman; T. David Harris; Danna E. Freedman; Henry Fong; Alicia Chang; Jeffrey D. Rinehart; Andrew Ozarowski; Moulay T. Sougrati; Fernande Grandjean; Gary J. Long; Jeffrey R. Long; Christopher J. Chang","Slow Magnetic Relaxation in a Family of trigonal Pyramidal Iron(II) Pyrrolide Complexes","Journal of the American Chemical Society","2010","132","","18115","18126","10.1021/ja105291x","","","0.71073","MoKα","","0.0864","0.048","","","0.0922","0.1042","","","","","","0.976","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103711","14.4882","0.0013","14.9346","0.0013","20.8197","0.0018","79.137","0.002","71.719","0.002","86.119","0.002","4200.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Fe(OEP-CH2-CH2-OEP)]2OH.I3, 3","","","- C84.6 H112.2 Fe2 I3 N8 O3.65 -","- C84.6 H112.2 Fe2 I3 N8 O3.65 -","- C169.2 H224.4 Fe4 I6 N16 O7.3 -","2","1","","Sudip Kumar Ghosh; Sankar Prasad Rath","A Remarkably Bent Diiron(III)-μ-Hydroxo Bisporphyrin: Unusual Stabilization of Two Spin States of Iron in a Single Molecular Framework","Journal of the American Chemical Society","2010","132","","17983","17985","10.1021/ja107374s","","","0.71073","MoKα","","0.071","0.0533","","","0.1388","0.1558","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103712","24.806","0.002","9.6651","0.0008","24.423","0.002","90","","106.87","0.02","90","","5603.5","1","110","2","110","2","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- C38 H34 -","- C38 H34 -","- C304 H272 -","8","2","","Enrico Faggi; Rosa M. Sebastián; Roser Pleixats; Adelina Vallribera; Alexandr Shafir; Alejandra Rodríguez-Gimeno; Carmen Ramírez de Arellano","Direct Assembly of Polyarenes via C-C Coupling Using PIFA/BF3.Et2O","Journal of the American Chemical Society","2010","132","","17980","17982","10.1021/ja107467c","","","0.71073","MoKα","","0.0905","0.0426","","","0.0824","0.09","","","","","","0.802","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103713","6.7624","0.0006","11.7215","0.001","13.6347","0.0011","90","","92.367","0.001","90","","1079.84","0.16","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl Zr -","- C11 H13 Cl Zr -","- C44 H52 Cl4 Zr4 -","4","1","","Aaron J. Rossini; Ivan Hung; Samuel A. Johnson; Carla Slebodnick; Mike Mensch; Paul A. Deck; Robert W. Schurko","Solid-State 91Zr NMR Spectroscopy Studies of Zirconocene Olefin Polymerization Catalyst Precursors","Journal of the American Chemical Society","2010","132","","18301","18317","10.1021/ja107749b","","","0.71073","MoKα","","0.0262","0.0227","","","0.0513","0.0536","","","","","","1.047","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103714","13.5792","0.0005","8.5955","0.0003","15.3894","0.0005","90","","96.587","0.003","90","","1784.39","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Br2 O Si2 Zr -","- C14 H20 Br2 O Si2 Zr -","- C56 H80 Br8 O4 Si8 Zr4 -","4","1","","Aaron J. Rossini; Ivan Hung; Samuel A. Johnson; Carla Slebodnick; Mike Mensch; Paul A. Deck; Robert W. Schurko","Solid-State 91Zr NMR Spectroscopy Studies of Zirconocene Olefin Polymerization Catalyst Precursors","Journal of the American Chemical Society","2010","132","","18301","18317","10.1021/ja107749b","","x-ray","0.71073","MoKα","","0.0459","0.0286","","","0.0537","0.0554","","","","","","0.867","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103715","14.9355","0.0013","14.682","0.003","24.174","0.002","90","","90","","90","","5300.9","1.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 Br2 O2 Si4 Zr -","- C18 H30 Br2 O2 Si4 Zr -","- C144 H240 Br16 O16 Si32 Zr8 -","8","1","","Aaron J. Rossini; Ivan Hung; Samuel A. Johnson; Carla Slebodnick; Mike Mensch; Paul A. Deck; Robert W. Schurko","Solid-State 91Zr NMR Spectroscopy Studies of Zirconocene Olefin Polymerization Catalyst Precursors","Journal of the American Chemical Society","2010","132","","18301","18317","10.1021/ja107749b","","","0.71073","MoKα","","0.12","0.0508","","","0.0788","0.0966","","","","","","0.993","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103716","16.4797","0.0006","15.5746","0.0005","15.3467","0.0005","90","","90","","90","","3939","0.2","223","2","223","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H72 Cr N4 -","- C36 H72 Cr N4 -","- C144 H288 Cr4 N16 -","4","0.5","","Rosanna A. D. Soriaga; Jennifer M. Nguyen; Thomas A. Albright; David M. Hoffman","Diamagnetic Group 6 Tetrakis(di-tert-butylketimido)metal(IV) Complexes","Journal of the American Chemical Society","2010","132","","18014","18016","10.1021/ja108265y","","","0.71073","MoKα","","0.0516","0.0415","","","0.114","0.1241","","","","","","1.007","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103717","16.5902","0.0008","15.6242","0.0008","15.5439","0.0008","90","","90","","90","","4029.1","0.4","223","2","223","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H72 Mo N4 -","- C36 H72 Mo N4 -","- C144 H288 Mo4 N16 -","4","0.5","","Rosanna A. D. Soriaga; Jennifer M. Nguyen; Thomas A. Albright; David M. Hoffman","Diamagnetic Group 6 Tetrakis(di-tert-butylketimido)metal(IV) Complexes","Journal of the American Chemical Society","2010","132","","18014","18016","10.1021/ja108265y","","","0.71073","MoKα","","0.0547","0.0303","","","0.0797","0.0958","","","","","","0.987","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103718","15.4819","0.0007","16.6244","0.0008","15.6247","0.0007","90","","90","","90","","4021.4","0.3","223","2","223","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C36 H72 N4 W -","- C36 H72 N4 W -","- C144 H288 N16 W4 -","4","0.25","","Rosanna A. D. Soriaga; Jennifer M. Nguyen; Thomas A. Albright; David M. Hoffman","Diamagnetic Group 6 Tetrakis(di-tert-butylketimido)metal(IV) Complexes","Journal of the American Chemical Society","2010","132","","18014","18016","10.1021/ja108265y","","","0.71073","MoKα","","0.0205","0.0194","","","0.0507","0.0516","","","","","","1.068","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103719","4.05171","0.00003","4.05171","0.00003","18.3438","0.0002","90","","90","","90","","301.138","0.005","10","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Co2 La2 O3 Se2 -","- Co2 La2 O3 Se2 -","- Co4 La4 O6 Se4 -","2","0.0625","","Yayoi Fuwa; Takashi Endo; Makoto Wakeshima; Yukio Hinatsu; Kenji Ohoyama","Orthogonal Spin Arrangement in Quasi-Two-Dimensional La2Co2O3Se2","Journal of the American Chemical Society","2010","132","","18020","18022","10.1021/ja109007g","powder diffraction","neutron","1.8449","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.353","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103720","4.06096","0.00005","4.06096","0.00005","18.3843","0.0003","90","","90","","90","","303.183","0.007","300","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Co2 La2 O3 Se2 -","- Co2 La2 O3 Se2 -","- Co4 La4 O6 Se4 -","2","0.0625","","Yayoi Fuwa; Takashi Endo; Makoto Wakeshima; Yukio Hinatsu; Kenji Ohoyama","Orthogonal Spin Arrangement in Quasi-Two-Dimensional La2Co2O3Se2","Journal of the American Chemical Society","2010","132","","18020","18022","10.1021/ja109007g","powder diffraction","neutron","1.8449","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.3311","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103721","19.9341","0.0006","10.8494","0.0003","13.9902","0.0004","90","","90","","90","","3025.7","0.15","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H44 Au Cl3 N O P -","- C31 H44 Au Cl3 N O P -","- C124 H176 Au4 Cl12 N4 O4 P4 -","4","1","","Kevin D. Hesp; Mark Stradiotto","Stereo- and Regioselective Gold-Catalyzed Hydroamination of Internal Alkynes with Dialkylamines","Journal of the American Chemical Society","2010","132","","18026","18029","10.1021/ja109192w","","","0.71073","MoKα","","0.0132","0.0128","","","0.0331","0.0332","","","","","","1.043","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103722","12.617","0.0009","12.7549","0.001","18.2237","0.0014","88.5121","0.0008","72.5456","0.0007","80.7996","0.0008","2760.9","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H51 Au B F20 N2 O2 P -","- C58 H51 Au B F20 N2 O2 P -","- C116 H102 Au2 B2 F40 N4 O4 P2 -","2","1","","Kevin D. Hesp; Mark Stradiotto","Stereo- and Regioselective Gold-Catalyzed Hydroamination of Internal Alkynes with Dialkylamines","Journal of the American Chemical Society","2010","132","","18026","18029","10.1021/ja109192w","","","0.71073","MoKα","","0.0159","0.0154","","","0.0409","0.0411","","","","","","1.073","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103723","11.263","0.0002","12.603","0.0002","12.741","0.0002","99.643","0.001","94.862","0.001","104.426","0.001","1711.56","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 N2 O P2 Ru -","- C38 H44 N2 O P2 Ru -","- C76 H88 N4 O2 P4 Ru2 -","2","1","","L. Jonas L. Häller; Michael J. Page; Stefan Erhardt; Stuart A. Macgregor; Mary F. Mahon; M. Abu Naser; Andrea Vélez; Michael K. Whittlesey","Experimental and Computational Investigation of C-N Bond Activation in Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2010","132","","18408","18416","10.1021/ja109702h","","","0.71073","MoKα","","0.0797","0.043","","","0.0837","0.0939","","","","","","0.984","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103724","10.14","0.0001","13.692","0.0002","19.251","0.0003","81.982","0.001","86.649","0.001","84.854","0.001","2633.09","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 N2 O P2 Ru -","- C64 H60 N2 O P2 Ru -","- C128 H120 N4 O2 P4 Ru2 -","2","1","","L. Jonas L. Häller; Michael J. Page; Stefan Erhardt; Stuart A. Macgregor; Mary F. Mahon; M. Abu Naser; Andrea Vélez; Michael K. Whittlesey","Experimental and Computational Investigation of C-N Bond Activation in Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2010","132","","18408","18416","10.1021/ja109702h","","","0.71073","MoKα","","0.0364","0.0291","","","0.0713","0.0761","","","","","","1.074","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103725","12.198","0.0003","12.925","0.0003","17.948","0.0003","83.658","0.001","81.718","0.001","70.564","0.001","2634.65","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H64 N2 O2 P2 Ru -","- C62 H64 N2 O2 P2 Ru -","- C124 H128 N4 O4 P4 Ru2 -","2","1","","L. Jonas L. Häller; Michael J. Page; Stefan Erhardt; Stuart A. Macgregor; Mary F. Mahon; M. Abu Naser; Andrea Vélez; Michael K. Whittlesey","Experimental and Computational Investigation of C-N Bond Activation in Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2010","132","","18408","18416","10.1021/ja109702h","","","0.71073","MoKα","","0.0446","0.0309","","","0.0662","0.0709","","","","","","1.033","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103726","14.6767","0.0004","24.0479","0.0004","14.9109","0.0003","90","","113.548","0.003","90","","4824.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H50 Cl N2 O P2 Ru -","- C58 H50 Cl N2 O P2 Ru -","- C232 H200 Cl4 N8 O4 P8 Ru4 -","4","1","","L. Jonas L. Häller; Michael J. Page; Stefan Erhardt; Stuart A. Macgregor; Mary F. Mahon; M. Abu Naser; Andrea Vélez; Michael K. Whittlesey","Experimental and Computational Investigation of C-N Bond Activation in Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2010","132","","18408","18416","10.1021/ja109702h","","","0.7107","MoKα","","0.0909","0.0493","","","0.1297","0.1362","","","","","","1.054","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103727","11.497","0.0001","13.084","0.0002","17.31","0.0002","75.317","0.001","75.635","0.001","87.905","0.001","2439.14","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H55 Cl N2 O P2 Ru -","- C56 H55 Cl N2 O P2 Ru -","- C112 H110 Cl2 N4 O2 P4 Ru2 -","2","1","","L. Jonas L. Häller; Michael J. Page; Stefan Erhardt; Stuart A. Macgregor; Mary F. Mahon; M. Abu Naser; Andrea Vélez; Michael K. Whittlesey","Experimental and Computational Investigation of C-N Bond Activation in Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2010","132","","18408","18416","10.1021/ja109702h","","","0.71073","MoKα","","0.0467","0.0324","","","0.0735","0.08","","","","","","1.034","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103728","18.057","0.003","18.057","0.003","23.058","0.005","90","","90","","90","","7518","2","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C32 H100 Co4 N16 O44 -","- C32 H100 Co4 N16 O44 -","- C128 H400 Co16 N64 O176 -","4","0.125","","Shuang Wang; Tingting Zhao; Guanghua Li; Lukasz Wojtas; Qisheng Huo; Mohamed Eddaoudi; Yunling Liu","From Metal-Organic Squares to Porous Zeolite-like Supramolecular Assemblies","Journal of the American Chemical Society","2010","132","","18038","18041","10.1021/ja109980c","","","0.71073","MoKα","","0.057","0.045","","","0.1247","0.1312","","","","","","1.154","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103729","29.319","0.003","29.319","0.003","29.319","0.003","90","","90","","90","","25203","4","293","2","293","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C46 H56 In4 K3 N26 O27.5 -","- C46 H56 In4 K3 N25.9867 O27.49 -","- C552 H672 In48 K36 N311.84 O329.88 -","12","0.25","","Shuang Wang; Tingting Zhao; Guanghua Li; Lukasz Wojtas; Qisheng Huo; Mohamed Eddaoudi; Yunling Liu","From Metal-Organic Squares to Porous Zeolite-like Supramolecular Assemblies","Journal of the American Chemical Society","2010","132","","18038","18041","10.1021/ja109980c","","","0.71073","MoKα","","0.0737","0.0497","","","0.1343","0.1464","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103730","20.4638","0.0008","21.4603","0.0008","14.8607","0.0006","90","","104.885","0.002","90","","6307.2","0.4","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/m 1","-C 2y","12","","","","- C68 H110 N20 O12 S12 -","- C70 H110 N20 O12 S12 -","- C140 H220 N40 O24 S24 -","2","0.25","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.0845","0.073","","","0.1611","0.1627","","","","","","1.181","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103731","38.674","0.0009","38.674","0.0009","10.01","0.003","90","","90","","120","","12966","4","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","R -3 :H","-R 3","148","","","","- C156 H192 N30 O12 S12 -","- C108 H120 N30 O6 S6 -","- C324 H360 N90 O18 S18 -","3","0.166667","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.0631","0.0587","","","0.1369","0.1374","","","","","","1.028","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103732","40.396","0.0013","20.6327","0.0007","12.0265","0.0004","90","","99.926","0.002","90","","9873.8","0.6","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H108 N26 O8 S8 -","- C82 H108 N26 O8 S8 -","- C328 H432 N104 O32 S32 -","4","0.5","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.0643","0.0622","","","0.1476","0.1482","","","","","","1.003","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103733","22.807","0.0009","22.807","0.0009","17.2915","0.0016","90","","90","","120","","7789.3","0.8","200","2","200","2","","","","","","","Synthesized by the authors. See text","3","R -3 :H","-R 3","148","","","","- C60 H48 N30 -","- C60 H48 N30 -","- C180 H144 N90 -","3","0.166667","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.0645","0.0614","","","0.1513","0.152","","","","","","1.048","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103734","8.975","0.0003","22.7525","0.0006","21.9316","0.0008","90","","101.498","0.001","90","","4388.6","0.2","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H106 N20 O12 S12 -","- C66 H106 N20 O12 S12 -","- C132 H212 N40 O24 S24 -","2","0.5","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.0721","0.0651","","","0.1491","0.1503","","","","","","1.085","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103735","31.282","0.015","24.617","0.003","11.704","0.009","90","","108.302","0.004","90","","8557","8","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H89 N25 O8 S8 -","- C67 H89 N25 O8 S8 -","- C268 H356 N100 O32 S32 -","4","0.5","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.1237","0.089","","","0.1426","0.1474","","","","","","1","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103736","34.706","0.002","14.9704","0.0009","12.0264","0.0007","90","","91.318","0.002","90","","6246.8","0.6","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H66 N20 O6 S4 -","- C52 H66 N20 O6 S4 -","- C208 H264 N80 O24 S16 -","4","1","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.1143","0.0794","","","0.1704","0.1913","","","","","","1.115","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103737","17.77","0.002","21.235","0.003","21.691","0.002","98.4","0.006","110.518","0.005","103.475","0.006","7217.9","1.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C106 H164 N30 O19 S9 -","- C106 H158 N30 O19 S9 -","- C212 H316 N60 O38 S18 -","2","1","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.1377","0.116","","","0.2902","0.2974","","","","","","1.096","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103738","8.4178","0.0011","16.424","0.002","20.251","0.003","105.291","0.005","97.289","0.006","93.544","0.006","2665.5","0.6","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C42 H62 N15 O7 S6 -","- C42 H60 N15 O7 S6 -","- C84 H120 N30 O14 S12 -","2","1","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.0973","0.0792","","","0.1865","0.1897","","","","","","1.045","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103739","15.6466","0.0002","15.6466","0.0002","7.6593","0.0001","90","","90","","90","","1875.12","0.04","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C32 H40 N4 O12 Si -","- C32 H40 N4 O12 Si0.25 -","- C64 H80 N8 O24 Si0.5 -","2","0.25","","Okba Saied; Thierry Maris; James D. Wuest","Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals","Journal of the American Chemical Society","2003","125","","14956","14957","10.1021/ja037465k","","","1.54178","CuKα","","0.129","0.0939","","","0.2593","0.2864","","","","","","1.127","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103740","15.4599","0.0008","15.4599","0.0008","8.7993","0.0005","90","","90","","90","","2103.11","0.19","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C36 H48 N4 O12 Si -","- C36 H48 N4 O12 Si0.25 -","- C72 H96 N8 O24 Si0.5 -","2","0.25","","Okba Saied; Thierry Maris; James D. Wuest","Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals","Journal of the American Chemical Society","2003","125","","14956","14957","10.1021/ja037465k","","","1.54178","CuKα","","0.1147","0.0708","","","0.1777","0.1956","","","","","","1.074","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103741","15.413","0.002","15.413","0.002","9.5845","0.0019","90","","90","","90","","2276.9","0.6","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C40 H56 N4 O12 Si -","- C40 H56 N4 O12 Si -","- C80 H112 N8 O24 Si2 -","2","0.25","","Okba Saied; Thierry Maris; James D. Wuest","Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals","Journal of the American Chemical Society","2003","125","","14956","14957","10.1021/ja037465k","","","1.54178","CuKα","","0.233","0.0954","","","0.2116","0.2514","","","","","","1.087","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103742","15.465","0.009","15.465","0.009","9.578","0.006","90","","90","","90","","2291","2","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C36 H48 N4 O12 Si -","- C36 H44 N4 O12 Si0.25 -","- C72 H88 N8 O24 Si0.5 -","2","0.25","","Okba Saied; Thierry Maris; James D. Wuest","Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals","Journal of the American Chemical Society","2003","125","","14956","14957","10.1021/ja037465k","","","1.54178","CuKα","","0.2416","0.2023","","","0.5229","0.5535","","","","","","2.024","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103743","10.627","0.011","10.627","0.011","41.608","0.006","90","","90","","90","","4699","7","226","","226","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C25 H24 B4 O8 -","- C25 H24 B4 O8 -","- C100 H96 B16 O32 -","4","0.25","","Jean-Hugues Fournier; Thierry Maris; James D. Wuest; Wenzhuo Guo; Elena Galoppini","Molecular Tectonics. Use of the Hydrogen Bonding of Boronic Acids To Direct Supramolecular Construction","Journal of the American Chemical Society","2003","125","","1002","1006","10.1021/ja0276772","","","1.54178","CuKα","","0.3307","0.0978","","","0.141","0.1594","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103744","10.837","0.0015","10.837","0.0015","45.603","0.009","90","","90","","90","","5355.6","1.5","210","","210","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H24 B4 O8 Si -","- C24 H24 B4 O8 Si -","- C96 H96 B16 O32 Si4 -","4","0.25","","Jean-Hugues Fournier; Thierry Maris; James D. Wuest; Wenzhuo Guo; Elena Galoppini","Molecular Tectonics. Use of the Hydrogen Bonding of Boronic Acids To Direct Supramolecular Construction","Journal of the American Chemical Society","2003","125","","1002","1006","10.1021/ja0276772","","","1.54178","CuKα","","0.1508","0.0758","","","0.125","0.1367","","","","","","0.84","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103745","17.084","0.0009","9.2508","0.0004","10.2983","0.0005","90","","90","","90","","1627.55","0.14","243","2","243","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C17 H30 O3 -","- C17 H30 O3 -","- C68 H120 O12 -","4","1","","Kevin M. McQuaid; Dalibor Sames","C-H Bond Functionalization via Hydride Transfer: Lewis Acid Catalyzed Alkylation Reactions by Direct Intramolecular Coupling of sp3 C-H Bonds and Reactive Alkenyl Oxocarbenium Intermediates","Journal of the American Chemical Society","2009","131","","402","403","10.1021/ja806068h","","","0.71073","MoKα","","0.0556","0.0407","","","0.1158","0.1279","","","","","","1.061","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103746","9.6931","0.0005","9.8584","0.0005","11.9252","0.0006","90","","90","","90","","1139.55","0.1","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 O2 -","- C14 H13 O2 -","- C56 H52 O8 -","4","1","","Kevin M. McQuaid; Dalibor Sames","C-H Bond Functionalization via Hydride Transfer: Lewis Acid Catalyzed Alkylation Reactions by Direct Intramolecular Coupling of sp3 C-H Bonds and Reactive Alkenyl Oxocarbenium Intermediates","Journal of the American Chemical Society","2009","131","","402","403","10.1021/ja806068h","","","0.71073","MoKα","","0.0702","0.0582","","","0.1839","0.2002","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103747","8.595","0.002","9.799","0.003","10.014","0.003","71.928","0.005","85.027","0.005","68.533","0.005","745.8","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","","Laura C. Wieland; Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Ag-Catalyzed Diastereo- and Enantioselective Vinylogous Mannich Reactions of α-Ketoimine Esters. Development of a Method and Investigation of its Mechanism","Journal of the American Chemical Society","2009","131","","570","576","10.1021/ja8062315","","","0.71073","MoKα","","0.0898","0.051","","","0.1048","0.122","","","","","","1.016","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103748","17.451","0.004","17.675","0.005","21.505","0.006","90","","90","","90","","6633","3","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H79 Ag N4 O7 P2 -","- C70 H79 Ag N4 O7 P2 -","- C280 H316 Ag4 N16 O28 P8 -","4","1","","Laura C. Wieland; Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Ag-Catalyzed Diastereo- and Enantioselective Vinylogous Mannich Reactions of α-Ketoimine Esters. Development of a Method and Investigation of its Mechanism","Journal of the American Chemical Society","2009","131","","570","576","10.1021/ja8062315","","","0.71073","MoKα","","0.0352","0.0316","","","0.0861","0.0895","","","","","","1.029","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103749","8.8375","0.0016","11.63","0.002","18.584","0.003","90","","90","","90","","1910.1","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Cl N2 O5 -","- C20 H19 Cl N2 O5 -","- C80 H76 Cl4 N8 O20 -","4","1","","Laura C. Wieland; Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Ag-Catalyzed Diastereo- and Enantioselective Vinylogous Mannich Reactions of α-Ketoimine Esters. Development of a Method and Investigation of its Mechanism","Journal of the American Chemical Society","2009","131","","570","576","10.1021/ja8062315","","","0.71073","MoKα","","0.1139","0.0615","","","0.1043","0.1226","","","","","","0.995","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103750","6.4323","0.0002","9.5882","0.0002","23.5349","0.0006","90","","90","","90","","1451.5","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C60 H68 N4 O20 -","4","1","","Laura C. Wieland; Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Ag-Catalyzed Diastereo- and Enantioselective Vinylogous Mannich Reactions of α-Ketoimine Esters. Development of a Method and Investigation of its Mechanism","Journal of the American Chemical Society","2009","131","","570","576","10.1021/ja8062315","","","1.54178","CuKα","","0.0242","0.0241","","","0.0628","0.0629","","","","","","1.049","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103751","6.4306","0.0013","10.05","0.002","11.98","0.002","84.052","0.004","84.765","0.003","88.383","0.004","766.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N6 O2 -","- C16 H18 N6 O2 -","- C32 H36 N12 O4 -","2","1","","Roslyn S. Butler; Pamela Cohn; Phillip Tenzel; Khalil A. Abboud; Ronald K. Castellano","Synthesis, Photophysical Behavior, and Electronic Structure of Push-Pull Purines","Journal of the American Chemical Society","2009","131","","623","633","10.1021/ja806348z","","","0.71073","MoKα","","0.055","0.0392","","","0.0982","0.1046","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103752","10.6415","0.0008","13.5541","0.001","13.043","0.0009","90","","107.01","0.01","90","","1799","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N7 O3 -","- C18 H21 N7 O3 -","- C72 H84 N28 O12 -","4","1","","Roslyn S. Butler; Pamela Cohn; Phillip Tenzel; Khalil A. Abboud; Ronald K. Castellano","Synthesis, Photophysical Behavior, and Electronic Structure of Push-Pull Purines","Journal of the American Chemical Society","2009","131","","623","633","10.1021/ja806348z","","","0.71073","MoKα","","0.0545","0.0442","","","0.1101","0.1162","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103753","7.7544","0.0011","11.0912","0.0015","22.122","0.003","90","","90","","90","","1902.6","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Fe N2 -","- C16 H36 Fe N2 -","- C64 H144 Fe4 N8 -","4","1","","William M. Reiff; Charles E. Schulz; Myung-Hwan Whangbo; Jung In Seo; Yoon Sup Lee; Gregory R. Potratz; Charles W. Spicer; Gregory S. Girolami","Consequences of a Linear Two-Coordinate Geometry for the Orbital Magnetism and Jahn-Teller Distortion Behavior of the High Spin Iron(II) Complex Fe[N(t-Bu)2]2","Journal of the American Chemical Society","2009","131","","404","405","10.1021/ja806660f","","","0.71073","MoKα","","0.0654","0.0338","","","0.0661","0.0744","","","","","","0.941","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103754","4.4968","0.0007","10.4078","0.0016","11.821","0.0018","70.645","0.002","85.722","0.003","84.971","0.003","519.36","0.14","273","2","273","2","","","","","","","","4","P -1","-P 1","2","NH4Hog.2H2O","","","- C6 H13 N3 O7 -","- C6 H13 N3 O7 -","- C12 H26 N6 O14 -","2","1","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.0822","0.0626","","","0.1757","0.1985","","","","","","1.07","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103755","13.9089","0.0016","7.685","0.0009","14.2279","0.0016","90","","97.758","0.002","90","","1506.9","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(methylNH3)2og.2H2O","","","- C8 H22 N4 O8 -","- C8 H22 N4 O8 -","- C32 H88 N16 O32 -","4","1","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.0723","0.0594","","","0.1553","0.1692","","","","","","1.028","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103756","8.969","0.002","7.779","0.002","11.803","0.003","90","","95.522","0.004","90","","819.7","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(ethylNH3)2og.2H2O","","","- C10 H26 N4 O8 -","- C10 H26 N4 O8 -","- C20 H52 N8 O16 -","2","0.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.124","0.0899","","","0.2419","0.1905","","","","","","0.973","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103757","9.962","0.002","9.965","0.002","10.064","0.002","70.093","0.004","69.558","0.004","66.216","0.003","833.1","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H26 N4 O6 -","- C12 H26 N4 O6 -","- C24 H52 N8 O12 -","2","1","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.1251","0.0734","","","0.2021","0.2305","","","","","","0.959","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103758","9.365","0.0011","12.6982","0.0014","12.7582","0.0014","75.762","0.002","75.679","0.002","82.023","0.002","1420","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","(butylNH3)2og","","","- C14 H30 N4 O6 -","- C14 H30 N4 O6 -","- C42 H90 N12 O18 -","3","1.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.1538","0.0785","","","0.2144","0.2612","","","","","","0.885","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103759","5.0096","0.001","11.818","0.002","14.202","0.003","74.787","0.004","81.591","0.004","77.922","0.004","789.7","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","(pentylNH3)2og.H2og","","","- C11 H21 N3 O6 -","- C11 H21 N3 O6 -","- C22 H42 N6 O12 -","2","1","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.1204","0.0687","","","0.1712","0.1976","","","","","","0.934","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103760","4.994","0.003","16.209","0.011","20.341","0.014","90","","90.221","0.013","90","","1646.5","1.9","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(hexylNH3)2Hog","","","- C12 H23 N3 O6 -","- C12 H23 N3 O6 -","- C48 H92 N12 O24 -","4","1","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.3593","0.0642","","","0.1367","0.2207","","","","","","0.957","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103761","4.9193","0.0009","10.2941","0.0019","10.765","0.002","88.508","0.005","76.911","0.004","85.008","0.004","528.95","0.17","273","2","273","2","","","","","","","","4","P -1","-P 1","2","(benzylNH3)2og","","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","1","0.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.0956","0.0847","","","0.2172","0.2383","","","","","","1.149","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103762","5.0552","0.0015","9.651","0.003","11.101","0.003","81.894","0.006","81.684","0.006","83.687","0.005","528.3","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","(cyclohexylNH3)2og","","","- C18 H34 N4 O6 -","- C18 H34 N4 O6 -","- C18 H34 N4 O6 -","1","0.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.0745","0.0631","","","0.1841","0.199","","","","","","1.097","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103763","4.943","0.002","23.463","0.009","10.699","0.004","90","","101.774","0.007","90","","1214.7","0.8","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(ethynylbenzylNH3)2og","","","- C24 H26 N4 O6 -","- C24 H26 N4 O6 -","- C48 H52 N8 O12 -","2","0.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.2736","0.0792","","","0.1758","0.2584","","","","","","0.72","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103764","4.931","0.003","10.017","0.007","13.738","0.009","85.899","0.014","84.56","0.02","85.141","0.016","671.7","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","(diacetylenylbenzylNH3)2og monomer","","","- C28 H26 N4 O6 -","- C28 H26 N4 O6 -","- C28 H26 N4 O6 -","1","0.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.1917","0.0781","","","0.1111","0.1551","","","","","","0.823","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103765","15.822","0.015","9.289","0.008","9.526","0.009","90","","100.914","0.012","90","","1375","2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(diethynylbenzylNH3)2og hydrate","","","- C28 H30 N4 O8 -","- C28 H30 N4 O8 -","- C56 H60 N8 O16 -","2","0.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.4409","0.0791","","","0.0806","0.1848","","","","","","0.867","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103766","13.594","0.005","8.266","0.003","13.865","0.005","90","","100.435","0.006","90","","1532.2","1","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(diethynylbenzylNH3)2og methanol","","","- C30 H34 N4 O8 -","- C30 H34 N4 O8 -","- C60 H68 N8 O16 -","2","0.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.1736","0.0974","","","0.1081","0.1831","","","","","","0.833","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103767","4.8862","0.0019","10.072","0.004","13.67","0.005","79.154","0.006","88.615","0.009","85.662","0.008","658.8","0.4","273","2","273","2","","","","","","","","4","P -1","-P 1","2","(diethynylbenzylNH3)2og polymer","","","- C28 H26 N4 O6 -","- C28 H26 N4 O6 -","- C28 H26 N4 O6 -","1","0.5","","Zhong Li; Frank W. Fowler; Joseph W. Lauher","Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene","Journal of the American Chemical Society","2009","131","","634","643","10.1021/ja806663h","","","0.71073","MoKα","","0.4372","0.0624","","","0.0944","0.1577","","","","","","0.849","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103768","7.6165","0.0003","16.5619","0.0007","16.8917","0.0007","90","","92.805","0.001","90","","2128.23","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","2","","Jian Dong; Kyril M. Solntsev; Laren M. Tolbert","Activation and Tuning of Green Fluorescent Protein Chromophore Emission by Alkyl Substituent-Mediated Crystal Packing","Journal of the American Chemical Society","2009","131","","662","670","10.1021/ja806962e","","","1.54178","CuKα","","0.0349","0.0338","","","0.0899","0.0908","","","","","","1.043","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103769","11.4832","0.0004","7.7162","0.0003","13.3246","0.0005","90","","102.553","0.002","90","","1152.43","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Jian Dong; Kyril M. Solntsev; Laren M. Tolbert","Activation and Tuning of Green Fluorescent Protein Chromophore Emission by Alkyl Substituent-Mediated Crystal Packing","Journal of the American Chemical Society","2009","131","","662","670","10.1021/ja806962e","","","1.54178","CuKα","","0.0384","0.0361","","","0.0997","0.1015","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103770","7.4623","0.0005","10.0972","0.0006","11.7537","0.0008","88.216","0.003","79.002","0.002","71.188","0.002","822.48","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C36 H48 N4 O4 -","2","1","","Jian Dong; Kyril M. Solntsev; Laren M. Tolbert","Activation and Tuning of Green Fluorescent Protein Chromophore Emission by Alkyl Substituent-Mediated Crystal Packing","Journal of the American Chemical Society","2009","131","","662","670","10.1021/ja806962e","","","1.54178","CuKα","","0.0396","0.0353","","","0.1029","0.1077","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103771","7.4678","0.0003","10.2078","0.0007","15.4909","0.0007","85.971","0.003","85.619","0.004","71.602","0.004","1115.91","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 N2 O2 -","- C24 H36 N2 O2 -","- C48 H72 N4 O4 -","2","1","","Jian Dong; Kyril M. Solntsev; Laren M. Tolbert","Activation and Tuning of Green Fluorescent Protein Chromophore Emission by Alkyl Substituent-Mediated Crystal Packing","Journal of the American Chemical Society","2009","131","","662","670","10.1021/ja806962e","","","1.54178","CuKα","","0.0557","0.0449","","","0.1261","0.1349","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103772","7.9946","0.0007","12.0879","0.0011","13.1153","0.0012","70.346","0.002","82.95","0.002","84.082","0.002","1181.98","0.18","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H17 Al Cl2 N6 O3 -","- C25 H17 Al Cl2 N6 O3 -","- C50 H34 Al2 Cl4 N12 O6 -","2","1","","Szu-Hung Liao; Jin-Ruei Shiu; Shun-Wei Liu; Shi-Jay Yeh; Yu-Hung Chen; Chin-Ti Chen; Tahsin J. Chow; Chih-I Wu","Hydroxynaphthyridine-Derived Group III Metal Chelates: Wide Band Gap and Deep Blue Analogues of Green Alq3(Tris(8-hydroxyquinolate)aluminum) and Their Versatile Applications for Organic Light-Emitting Diodes","Journal of the American Chemical Society","2009","131","","763","777","10.1021/ja807284e","","","0.71073","MoKα","","0.0857","0.0588","","","0.1663","0.1748","","","","","","0.977","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103773","6.2898","0.0013","16.096","0.003","14.357","0.003","90","","90.204","0.003","90","","1453.5","0.5","141","2","141","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O6 V -","- C13 H15 N O7 V -","- C52 H60 N4 O28 V4 -","4","1","","Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; Andrew D. Sutton; David L. Thorn","Aerobic Oxidation of Pinacol by Vanadium(V) Dipicolinate Complexes: Evidence for Reduction to Vanadium(III)","Journal of the American Chemical Society","2009","131","","428","429","10.1021/ja807522n","","","0.71073","MoKα","","0.0568","0.0427","","","0.0971","0.0998","","","","","","1.528","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103774","9.6731","0.0009","9.8036","0.0009","16.6299","0.0016","90","","90","","90","","1577","0.3","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N3 O5 V -","- C17 H13 N3 O5 V -","- C68 H52 N12 O20 V4 -","4","1","","Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; Andrew D. Sutton; David L. Thorn","Aerobic Oxidation of Pinacol by Vanadium(V) Dipicolinate Complexes: Evidence for Reduction to Vanadium(III)","Journal of the American Chemical Society","2009","131","","428","429","10.1021/ja807522n","","","0.71073","MoKα","","0.042","0.0321","","","0.0641","0.0672","","","","","","1.09","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103775","28.459","0.005","8.6208","0.0015","19.834","0.003","90","","121.545","0.002","90","","4147","1.2","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 N8 O9 V2 -","- C44 H36 N8 O9 V2 -","- C176 H144 N32 O36 V8 -","4","0.5","","Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; Andrew D. Sutton; David L. Thorn","Aerobic Oxidation of Pinacol by Vanadium(V) Dipicolinate Complexes: Evidence for Reduction to Vanadium(III)","Journal of the American Chemical Society","2009","131","","428","429","10.1021/ja807522n","","","0.71073","MoKα","","0.1025","0.0515","","","0.1152","0.1319","","","","","","0.767","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103776","39.761","0.002","39.761","0.002","14.6366","0.001","90","","90","","90","","23140","2","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H92 K12 N24 O82 V18 -","- C36 H36 K12 N24 O77.7375 V18 -","- C288 H288 K96 N192 O621.9 V144 -","8","0.5","","Xikui Fang; Paul Kögerler; Lyle Isaacs; Sayaka Uchida; Noritaka Mizuno","Cucurbit[n]uril-Polyoxoanion Hybrids","Journal of the American Chemical Society","2009","131","","432","433","10.1021/ja807751b","","","0.71073","MoKα","","0.1346","0.0898","","","0.2204","0.237","","","","","","1.127","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103777","14.5575","0.0011","31.58","0.002","38.173","0.003","90","","90.127","0.001","90","","17549","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H144 N36 Na12 O93 V18 -","- C72 H76 N36 Na7.75 O107 V18 -","- C288 H304 N144 Na31 O428 V72 -","4","0.5","","Xikui Fang; Paul Kögerler; Lyle Isaacs; Sayaka Uchida; Noritaka Mizuno","Cucurbit[n]uril-Polyoxoanion Hybrids","Journal of the American Chemical Society","2009","131","","432","433","10.1021/ja807751b","","","0.71073","MoKα","","0.0959","0.0844","","","0.2375","0.2459","","","","","","1.121","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103778","17.972","0.002","10.7424","0.0014","18.427","0.003","90","","93.794","0.003","90","","3549.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 N4 O V -","- C37 H54 N4 O V -","- C148 H216 N16 O4 V4 -","4","1","","Jared S. Silvia; Christopher C. Cummins","Two-Electron Reduction of a Vanadium(V) Nitride by CO To Release Cyanate and Open a Coordination Site","Journal of the American Chemical Society","2009","131","","446","447","10.1021/ja807767w","","","0.71073","MoKα","","0.0527","0.0378","","","0.0913","0.0996","","","","","","1.056","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103779","7.273","0.0006","8.7412","0.0008","20.8648","0.0018","90","","90","","90","","1326.5","0.2","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 F2 N O2 -","- C15 H17 F2 N O2 -","- C60 H68 F8 N4 O8 -","4","1","","Robert Webster; Christian Böing; Mark Lautens","Reagent-Controlled Regiodivergent Resolution of Unsymmetrical Oxabicyclic Alkenes Using a Cationic Rhodium Catalyst","Journal of the American Chemical Society","2009","131","","444","445","10.1021/ja807942m","","","1.54178","CuKα","","0.0547","0.0539","","","0.128","0.1301","","","","","","1.084","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103780","7.5519","0.0006","7.8449","0.0006","11.5761","0.0008","90","","91.663","0.002","90","","685.52","0.09","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C15 H17 F2 N O2 -","- C15 H17 F2 N O2 -","- C30 H34 F4 N2 O4 -","2","1","","Robert Webster; Christian Böing; Mark Lautens","Reagent-Controlled Regiodivergent Resolution of Unsymmetrical Oxabicyclic Alkenes Using a Cationic Rhodium Catalyst","Journal of the American Chemical Society","2009","131","","444","445","10.1021/ja807942m","","","1.54178","CuKα","","0.0521","0.052","","","0.1096","0.1098","","","","","","1.16","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103781","10.2115","0.0007","11.9691","0.0007","15.3437","0.0009","96.244","0.005","95.976","0.005","91.175","0.005","1853.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H45 O8 P Pd S2 -","- C37 H39 O8 P Pd S2 -","- C74 H78 O16 P2 Pd2 S4 -","2","1","","Damien Guironnet; Philipp Roesle; Thomas Rünzi; Inigo Göttker-Schnetmann; Stefan Mecking","Insertion Polymerization of Acrylate","Journal of the American Chemical Society","2009","131","","422","423","10.1021/ja808017n","","","0.71073","MoKα","","0.066","0.0456","","","0.0851","0.0902","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103782","10.9981","0.0008","12.0103","0.0009","12.0742","0.001","83.154","0.006","67.82","0.006","88.107","0.006","1466.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H35 Ni O8 P S2 -","- C27 H35 Ni O8 P S2 -","- C54 H70 Ni2 O16 P2 S4 -","2","1","","Damien Guironnet; Philipp Roesle; Thomas Rünzi; Inigo Göttker-Schnetmann; Stefan Mecking","Insertion Polymerization of Acrylate","Journal of the American Chemical Society","2009","131","","422","423","10.1021/ja808017n","","","0.71073","MoKα","","0.088","0.0548","","","0.1264","0.1427","","","","","","1.037","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103783","21.961","0.003","8.5678","0.0009","21.91","0.003","90","","113.555","0.003","90","","3779","0.8","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 B3 N O6 -","- C12 H34 B3 N O6 -","- C96 H272 B24 N8 O48 -","8","2","","Chang Won Yoon; Patrick J. Carroll; Larry G. Sneddon","Ammonia Triborane: A New Synthesis, Structural Determinations, and Hydrolytic Hydrogen-Release Properties","Journal of the American Chemical Society","2009","131","","855","864","10.1021/ja808045p","","","0.71073","MoKα","","0.056","0.0498","","","0.1208","0.127","","","","","","1.086","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103784","10.358","0.003","4.8041","0.0012","9.967","0.003","90","","115.141","0.006","90","","449","0.2","143","1","143","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- B3 H10 N -","- B3 H10 N -","- B12 H40 N4 -","4","1","","Chang Won Yoon; Patrick J. Carroll; Larry G. Sneddon","Ammonia Triborane: A New Synthesis, Structural Determinations, and Hydrolytic Hydrogen-Release Properties","Journal of the American Chemical Society","2009","131","","855","864","10.1021/ja808045p","","","0.71073","MoKα","","0.0438","0.0411","","","0.1078","0.1098","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103785","12.0504","0.0005","12.6148","0.0004","12.2383","0.0005","90","","110.912","0.005","90","","1737.84","0.13","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H20 F8 Fe N5 O -","- C44 H20 F8 Fe N5 O -","- C88 H40 F16 Fe2 N10 O2 -","2","0.5","","Jun Wang; Mark P. Schopfer; Amy A. N. Sarjeant; Kenneth D. Karlin","Heme-Copper Assembly Mediated Reductive Coupling of Nitrogen Monoxide (.NO)","Journal of the American Chemical Society","2009","131","","450","451","10.1021/ja8084324","","","0.71073","MoKα","","0.0811","0.0542","","","0.1389","0.1548","","","","","","1.058","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103786","23.275","0.004","25.486","0.004","49.521","0.007","90","","117.409","0.006","90","","26078","7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C106 H83 N8 O29 Zn4 -","- C106 H82 N8 O29 Zn4 -","- C424 H328 N32 O116 Zn16 -","4","1","","Andrew P. Nelson; Omar K. Farha; Karen L. Mulfort; Joseph T. Hupp","Supercritical Processing as a Route to High Internal Surface Areas and Permanent Microporosity in Metal-Organic Framework Materials","Journal of the American Chemical Society","2009","131","","458","460","10.1021/ja808853q","","","0.71073","MoKα","","0.2194","0.0692","","","0.1513","0.167","","","","","","0.563","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103787","16.6402","0.0003","16.6402","0.0003","7.7024","0.0001","90","","90","","120","","1847.03","0.05","277.2","","","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","","","- C21 H12 -","- C21 H12 -","- C126 H72 -","6","0.333333","","Toru Amaya; Shu Seki; Toshiyuki Moriuchi; Kana Nakamoto; Takuto Nakata; Hiroyuki Sakane; Akinori Saeki; Seiichi Tagawa; Toshikazu Hirao","Anisotropic Electron Transport Properties in Sumanene Crystal","Journal of the American Chemical Society","2009","131","","408","409","10.1021/ja805997v","","","1.5419","CuKα","","","0.0334","","","","0.0862","","","","","","0.788","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103788","10.0252","0.0003","18.003","0.0011","9.7974","0.0005","90","","115.066","0.003","90","","1601.74","0.14","150","1","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C84 H64 O12 -","4","1","","Zengming Shen; Peter K. Dornan; Hasan A. Khan; Tom K. Woo; Vy M. Dong","Mechanistic Insights into the Rhodium-Catalyzed Intramolecular Ketone Hydroacylation","Journal of the American Chemical Society","2009","131","","1077","1091","10.1021/ja806758m","","","0.71073","MoKα","","0.0755","0.046","","","0.1055","0.1221","","","","","","1.042","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103789","6.0476","0.0005","15.2453","0.0012","20.0851","0.0017","90","","90","","90","","1851.8","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 Br O4 -","- C18 H27 Br O4 -","- C72 H108 Br4 O16 -","4","1","","Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols","Journal of the American Chemical Society","2009","131","","954","962","10.1021/ja806989n","","","0.71073","MoKα","","0.0401","0.0348","","","0.0711","0.0746","","","","","","1.081","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103790","6.06","0.003","22.39","0.006","40.762","0.012","90","","90","","90","","5531","4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 Cl O4 -","- C18 H27 Cl O4 -","- C72 H108 Cl4 O16 -","4","1","","Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols","Journal of the American Chemical Society","2009","131","","954","962","10.1021/ja806989n","","","0.71073","MoKα","","0.0865","0.0581","","","0.1172","0.1374","","","","","","1.092","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103791","6.8584","0.0003","13.6465","0.0008","21.3782","0.0014","90","","90","","90","","2000.9","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 I O4 -","- C20 H29 I O4 -","- C80 H116 I4 O16 -","4","1","","Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols","Journal of the American Chemical Society","2009","131","","954","962","10.1021/ja806989n","","","0.71069","MoKα","","0.0278","0.026","","","0.0614","0.0625","","","","","","1.059","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103792","6.094","0.006","15.229","0.014","20.355","0.018","90","","90","","90","","1889","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 I O4 -","- C18 H27 I O4 -","- C72 H108 I4 O16 -","4","1","","Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols","Journal of the American Chemical Society","2009","131","","954","962","10.1021/ja806989n","","","0.71069","MoKα","","0.0243","0.0196","","","0.0288","0.0299","","","","","","0.744","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103793","7.2994","0.0018","12.819","0.003","13.121","0.003","77.774","0.015","89.559","0.016","77.542","0.018","1170.7","0.5","153","1","153","1","","","","","","","","4","P 1","P 1","1","","","","- C23 H29.5 Br0.5 O4 -","- C23 H29.5 Br0.5 O4 -","- C46 H59 Br O8 -","2","2","","Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols","Journal of the American Chemical Society","2009","131","","954","962","10.1021/ja806989n","","","0.71073","MoKα","","0.0787","0.0684","","","0.1784","0.1881","","","","","","0.999","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103794","19.862","0.003","9.3987","0.0013","22.279","0.003","90","","90","","90","","4159","1","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H28 O4 -","- C24 H28 O4 -","- C192 H224 O32 -","8","1","","Andrew DeAngelis; Michael T. Taylor; Joseph M. Fox","Unusually Reactive and Selective Carbonyl Ylides for Three-Component Cycloaddition Reactions","Journal of the American Chemical Society","2009","131","","1101","1105","10.1021/ja807184r","","","0.71073","MoKα","","0.0722","0.0459","","","0.1143","0.1327","","","","","","1.056","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103795","11.765","0.004","15.839","0.005","22.419","0.007","90","","90","","90","","4178","2","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H24 O6 -","- C24 H24 O6 -","- C192 H192 O48 -","8","1","","Andrew DeAngelis; Michael T. Taylor; Joseph M. Fox","Unusually Reactive and Selective Carbonyl Ylides for Three-Component Cycloaddition Reactions","Journal of the American Chemical Society","2009","131","","1101","1105","10.1021/ja807184r","","","0.71073","MoKα","","0.1157","0.0529","","","0.1128","0.1385","","","","","","1.008","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103796","8.523","0.005","10.054","0.006","16.299","0.009","72.654","0.008","80.74","0.008","70.202","0.008","1251.6","1.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 O7 -","- C28 H28 O7 -","- C56 H56 O14 -","2","1","","Andrew DeAngelis; Michael T. Taylor; Joseph M. Fox","Unusually Reactive and Selective Carbonyl Ylides for Three-Component Cycloaddition Reactions","Journal of the American Chemical Society","2009","131","","1101","1105","10.1021/ja807184r","","","0.71073","MoKα","","0.0505","0.043","","","0.1111","0.1197","","","","","","1.007","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103797","8.252","0.003","9.571","0.003","17.007","0.005","97.352","0.004","97.916","0.004","101.042","0.004","1289.2","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N O6 -","- C31 H29 N O6 -","- C62 H58 N2 O12 -","2","1","","Andrew DeAngelis; Michael T. Taylor; Joseph M. Fox","Unusually Reactive and Selective Carbonyl Ylides for Three-Component Cycloaddition Reactions","Journal of the American Chemical Society","2009","131","","1101","1105","10.1021/ja807184r","","","0.71073","MoKα","","0.0635","0.0481","","","0.1083","0.1189","","","","","","1.007","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103798","29.658","0.002","21.8217","0.0011","29.9635","0.0015","90","","90","","90","","19392","1.9","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C104 H104 Li2 O2 P6 S6 U -","- C104 H104 Li2 O2 P6 S6 U -","- C832 H832 Li16 O16 P48 S48 U8 -","8","1","","Thibault Cantat; Thérèse Arliguie; Anne Noël; Pierre Thuéry; Michel Ephritikhine; Pascal Le Floch; Nicolas Mézailles","The U=C Double Bond: Synthesis and Study of Uranium Nucleophilic Carbene Complexes","Journal of the American Chemical Society","2009","131","","963","972","10.1021/ja807282s","","","0.71073","MoKα","","0.129","0.0889","","","0.2145","0.2266","","","","","","1.096","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103799","14.0685","0.0003","15.4706","0.0003","24.6002","0.0004","107.317","0.002","98.742","0.001","95.683","0.001","4992.72","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C99.5 H112 B6 P6 S6 U3 -","- C99.5 H108 B6 P6 S6 U3 -","- C199 H216 B12 P12 S12 U6 -","2","1","","Thibault Cantat; Thérèse Arliguie; Anne Noël; Pierre Thuéry; Michel Ephritikhine; Pascal Le Floch; Nicolas Mézailles","The U=C Double Bond: Synthesis and Study of Uranium Nucleophilic Carbene Complexes","Journal of the American Chemical Society","2009","131","","963","972","10.1021/ja807282s","","","0.71073","MoKα","","0.0525","0.0328","","","0.076","0.0812","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103800","14.6445","0.0005","13.368","0.0004","17.8089","0.0006","90","","92.438","0.002","90","","3483.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H44 B2 O2 P2 S2 U -","- C33 H44 B2 O2 P2 S2 U -","- C132 H176 B8 O8 P8 S8 U4 -","4","1","","Thibault Cantat; Thérèse Arliguie; Anne Noël; Pierre Thuéry; Michel Ephritikhine; Pascal Le Floch; Nicolas Mézailles","The U=C Double Bond: Synthesis and Study of Uranium Nucleophilic Carbene Complexes","Journal of the American Chemical Society","2009","131","","963","972","10.1021/ja807282s","","","0.71073","MoKα","","0.0324","0.0248","","","0.0558","0.0578","","","","","","1.048","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103801","16.2135","0.0003","22.3247","0.0004","21.3662","0.0006","90","","91.524","0.001","90","","7731","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C83 H80 Li2 O2 P6 S6 U -","- C83 H80 Li2 O2 P6 S6 U -","- C332 H320 Li8 O8 P24 S24 U4 -","4","0.5","","Thibault Cantat; Thérèse Arliguie; Anne Noël; Pierre Thuéry; Michel Ephritikhine; Pascal Le Floch; Nicolas Mézailles","The U=C Double Bond: Synthesis and Study of Uranium Nucleophilic Carbene Complexes","Journal of the American Chemical Society","2009","131","","963","972","10.1021/ja807282s","","","0.71073","MoKα","","0.033","0.0266","","","0.0618","0.064","","","","","","1.029","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103802","11.6554","0.0004","13.5597","0.0005","15.5642","0.0005","103.382","0.002","97.274","0.002","95.948","0.002","2351.15","0.14","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H56 F9 N8 O13 S3 Tb -","- C30 H56 F9 N8 O13 S3 Tb -","- C60 H112 F18 N16 O26 S6 Tb2 -","2","1","","Matthew J. Belousoff; Phuc Ung; Craig M. Forsyth; Yitzhak Tor; Leone Spiccia; Bim Graham","New Macrocyclic Terbium(III) Complex for Use in RNA Footprinting Experiments","Journal of the American Chemical Society","2009","131","","1106","1114","10.1021/ja807301r","","","0.71073","MoKα","","0.0224","0.0205","","","0.0497","0.0506","","","","","","1.067","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103803","24.448","0.005","6.616","0.005","28.057","0.005","90","","109.246","0.005","90","","4285","3","100","2","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","calcium 5-azidotetrazolate pentahydrate","calcium 5-azidotetrazolate pentahydrate","","- C6 H32 Ca3 N42 O16 -","- C6 H32 Ca3 N42 O16 -","- C24 H128 Ca12 N168 O64 -","4","0.5","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.1036","0.0423","","","0.0763","0.0992","","","","","","0.96","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103804","10.8114","0.0005","7.4641","0.0004","7.6676","0.0004","90","","101.437","0.005","90","","606.47","0.05","100","2","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","hydrazinium 5-azidotetrazolate","hydrazinium 5-azidotetrazolate","","- C H5 N9 -","- C H5 N9 -","- C4 H20 N36 -","4","1","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.0477","0.0305","","","0.071","0.0767","","","","","","0.931","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103805","3.9103","0.0003","6.914","0.0004","9.9127","0.0006","90","","99.177","0.006","90","","264.57","0.03","200","2","200","","","","","","","","","3","P 1 21 1","P 2yb","4","ammonium 5-azidotetrazolate","ammonium 5-azidotetrazolate","","- C H4 N8 -","- C H4 N8 -","- C2 H8 N16 -","2","1","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.0731","0.0307","","","0.0516","0.0637","","","","","","0.907","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103806","9.7652","0.0008","9.7803","0.0009","10.0434","0.0009","71.327","0.008","74.399","0.007","63.962","0.009","807.15","0.14","200","2","200","","","","","","","","","3","P -1","-P 1","2","aminoguanidinium 5-azidotetrazolate","aminoguanidinium 5-azidotetrazolate","","- C2 H7 N11 -","- C2 H7 N11 -","- C8 H28 N44 -","4","2","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.106","0.045","","","0.0931","0.1154","","","","","","0.925","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103807","9.5374","0.0008","15.312","0.0009","10.5731","0.0006","90","","94.361","0.007","90","","1539.59","0.18","100","2","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","guanidinium 5-azidotetrazolate","guanidinium 5-azidotetrazolate","","- C2 H7 N10 O0.5 -","- C2 H7 N10 O0.5 -","- C16 H56 N80 O4 -","8","2","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.1619","0.049","","","0.0945","0.1288","","","","","","0.882","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103808","8.9207","0.0005","4.6663","0.0002","12.8648","0.0006","90","","95.608","0.005","90","","532.96","0.05","200","2","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","lithium 5-azidotetrazolate monohydrate","lithium 5-azidotetrazolate monohydrate","","- C H2 Li N7 O -","- C H2 Li N7 O -","- C4 H8 Li4 N28 O4 -","4","1","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.055","0.0313","","","0.0732","0.0869","","","","","","1.052","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103809","11.203","0.002","7.138","0.002","14.409","0.002","90","","91.63","0.01","90","","1151.8","0.4","200","2","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sodium 5-azidotetrazolate monohydrate","sodium 5-azidotetrazolate monohydrate","","- C H2 N7 Na O -","- C H2 N7 Na O -","- C8 H16 N56 Na8 O8 -","8","2","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.1028","0.0313","","","0.0671","0.0798","","","","","","0.713","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103810","9.7759","0.0009","6.299","0.0006","8.4533","0.0006","90","","96.72","0.008","90","","516.96","0.08","100","2","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","potassium 5-azdotetrazolate","potassium 5-azidotetrazolate","","- C K N7 -","- C K N7 -","- C4 K4 N28 -","4","1","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.0452","0.0315","","","0.074","0.0763","","","","","","0.988","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103811","4.3082","0.0001","7.1345","0.0002","18.6869","0.0009","90","","90","","90","","574.38","0.03","200","2","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cesium 5-azidotetrazolate","cesium 5-azidotetrazolate","","- C Cs N7 -","- C Cs N7 -","- C4 Cs4 N28 -","4","1","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.0275","0.0227","","","0.0394","0.0398","","","","","","0.918","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103812","17.775","0.002","10.7571","0.0012","18.0887","0.0019","90","","118.258","0.002","90","","3046.5","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Cu I N4 -","- C10 H24 Cu I N4 -","- C80 H192 Cu8 I8 N32 -","8","2","","Sonja Herres-Pawlis; Pratik Verma; Roxana Haase; Peng Kang; Christopher T. Lyons; Erik C. Wasinger; Ulrich Flörke; Gerald Henkel; T. Daniel P. Stack","Phenolate Hydroxylation in a Bis(μ-oxo)dicopper(III) Complex: Lessons from the Guanidine/Amine Series","Journal of the American Chemical Society","2009","131","","1154","1169","10.1021/ja807809x","","","0.71073","MoKα","","0.0358","0.0283","","","0.0587","0.0612","","","","","","1.036","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4103813","19.4392","0.0012","11.2206","0.0007","15.288","0.0009","90","","93.181","0.001","90","","3329.5","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cu3 I3 N8 O2 -","- C20 H50 Cu3 I3 N8 O2 -","- C80 H200 Cu12 I12 N32 O8 -","4","0.5","","Sonja Herres-Pawlis; Pratik Verma; Roxana Haase; Peng Kang; Christopher T. Lyons; Erik C. Wasinger; Ulrich Flörke; Gerald Henkel; T. Daniel P. Stack","Phenolate Hydroxylation in a Bis(μ-oxo)dicopper(III) Complex: Lessons from the Guanidine/Amine Series","Journal of the American Chemical Society","2009","131","","1154","1169","10.1021/ja807809x","","","0.71073","MoKα","","0.0479","0.0381","","","0.0905","0.0941","","","","","","1.04","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103814","6.023","0.0002","10.9397","0.0002","6.5172","0.0001","90","","100.728","0.001","90","","421.912","0.017","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C9 H6 Cr O3 -","- C9 H6 Cr O3 -","- C18 H12 Cr2 O6 -","2","0.5","","Louis J. Farrugia; Cameron Evans; Dieter Lentz; Max Roemer","The QTAIM Approach to Chemical Bonding Between Transition Metals and Carbocyclic Rings: A Combined Experimental and Theoretical Study of (η5-C5H5)Mn(CO)3, (η6-C6H6)Cr(CO)3, and (E)-{(η5-C5H4)CF=CF(η5-C5H4)}(η5-C5H5)2Fe2","Journal of the American Chemical Society","2009","131","","1251","1268","10.1021/ja808303j","","x-ray","0.71073","MoKα","","0.011","0.0084","","","","0.01","","","","","","1.662","","","","has coordinates,has Fobs","178784","2020-10-21","18:00:00",""
"4103815","16.9812","0.0004","16.9812","0.0004","5.8607","0.0001","90","","90","","90","","1690","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 42/n :2","-P 4bc","86","","","","- C22 H18 F2 Fe2 -","- C22 H18 F2 Fe2 -","- C88 H72 F8 Fe8 -","4","0.5","","Louis J. Farrugia; Cameron Evans; Dieter Lentz; Max Roemer","The QTAIM Approach to Chemical Bonding Between Transition Metals and Carbocyclic Rings: A Combined Experimental and Theoretical Study of (η5-C5H5)Mn(CO)3, (η6-C6H6)Cr(CO)3, and (E)-{(η5-C5H4)CF=CF(η5-C5H4)}(η5-C5H5)2Fe2","Journal of the American Chemical Society","2009","131","","1251","1268","10.1021/ja808303j","","x-ray","0.71073","MoKα","","0.0228","0.0178","","","","0.0226","","","","","","1.401","","","","has coordinates,has Fobs","264764","2021-05-03","08:11:05",""
"4103816","10.7573","0.0003","6.9348","0.0002","11.6614","0.0003","90","","115.764","0.001","90","","783.46","0.04","100","2","100","2","","","","","","","commercial purchase","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Mn O3 -","- C8 H5 Mn O3 -","- C32 H20 Mn4 O12 -","4","1","","Louis J. Farrugia; Cameron Evans; Dieter Lentz; Max Roemer","The QTAIM Approach to Chemical Bonding Between Transition Metals and Carbocyclic Rings: A Combined Experimental and Theoretical Study of (η5-C5H5)Mn(CO)3, (η6-C6H6)Cr(CO)3, and (E)-{(η5-C5H4)CF=CF(η5-C5H4)}(η5-C5H5)2Fe2","Journal of the American Chemical Society","2009","131","","1251","1268","10.1021/ja808303j","","x-ray","0.71073","MoKα","","0.0248","0.016","","","","0.012","","","","","","1.429","","","","has coordinates,has Fobs","178784","2020-10-21","18:00:00",""
"4103817","10.304","0.012","8.153","0.006","10.332","0.012","90","","101.67","0.04","90","","850","1.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Ana Z. González; José G. Román; Eyleen Alicea; Eda Canales; John A. Soderquist","Borabicyclo[3.3.2]decanes and the Stereoselective Asymmetric Synthesis of 1,3-Diol Stereotriads from 1,3-Diborylpropenes","Journal of the American Chemical Society","2009","131","","1269","1273","10.1021/ja808360z","","","0.71073","MoKα","","0.0458","0.0418","","","0.1145","0.1178","","","","","","1.077","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103818","7.3698","0.0014","9.719","0.003","13.835","0.004","107.84","0.03","97.26","0.03","103.55","0.02","895.8","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Cl N O2 -","- C19 H24 Cl N O2 -","- C38 H48 Cl2 N2 O4 -","2","1","","Ana Z. González; José G. Román; Eyleen Alicea; Eda Canales; John A. Soderquist","Borabicyclo[3.3.2]decanes and the Stereoselective Asymmetric Synthesis of 1,3-Diol Stereotriads from 1,3-Diborylpropenes","Journal of the American Chemical Society","2009","131","","1269","1273","10.1021/ja808360z","","","0.71073","MoKα","","0.0485","0.0414","","","0.1095","0.1153","","","","","","1.031","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103819","10.201","0.005","8.152","0.004","10.264","0.005","90","","101.769","0.008","90","","835.6","0.7","301","2","301","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Ana Z. González; José G. Román; Eyleen Alicea; Eda Canales; John A. Soderquist","Borabicyclo[3.3.2]decanes and the Stereoselective Asymmetric Synthesis of 1,3-Diol Stereotriads from 1,3-Diborylpropenes","Journal of the American Chemical Society","2009","131","","1269","1273","10.1021/ja808360z","","","0.71073","MoKα","","0.0669","0.0563","","","0.1516","0.16","","","","","","1.023","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103820","9.53","0.006","20.803","0.013","17.593","0.011","90","","90.3","0.07","90","","3488","4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Br O2 -","- C18 H19 Br O2 -","- C144 H152 Br8 O16 -","8","2","","Ana Z. González; José G. Román; Eyleen Alicea; Eda Canales; John A. Soderquist","Borabicyclo[3.3.2]decanes and the Stereoselective Asymmetric Synthesis of 1,3-Diol Stereotriads from 1,3-Diborylpropenes","Journal of the American Chemical Society","2009","131","","1269","1273","10.1021/ja808360z","","","0.71073","MoKα","","0.1932","0.0701","","","0.2004","0.2578","","","","","","0.922","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103821","21.1763","0.0014","21.1763","0.0014","12.835","0.001","90","","90","","90","","5755.7","0.7","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C29 H29 B Mo N7 O6 -","- C29 H29 B Mo N7 O6 -","- C232 H232 B8 Mo8 N56 O48 -","8","1","","Thomas C. Coombs; Yongqiang Zhang; Ethel C. Garnier-Amblard; Lanny S. Liebeskind","Organometallic Enantiomeric Scaffolding. Sequential Semipinacol/1,5-""Michael-like"" Reactions as a Strategic Approach to Bridgehead-Quaternary Center Aza[3.3.1]Bicyclics: Application to the Total Synthesis of (-)-Adaline","Journal of the American Chemical Society","2009","131","","876","877","10.1021/ja808533z","","","0.71073","MoKα","","0.0492","0.0413","","","0.0801","0.0814","","","","","","1.008","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103822","10.4754","0.0002","12.8534","0.0002","13.4732","0.0003","104.527","0.001","112.404","0.001","103.191","0.001","1513.56","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H33 B Mo N7 O6 -","- C29 H33 B Mo N7 O6 -","- C58 H66 B2 Mo2 N14 O12 -","2","1","","Thomas C. Coombs; Yongqiang Zhang; Ethel C. Garnier-Amblard; Lanny S. Liebeskind","Organometallic Enantiomeric Scaffolding. Sequential Semipinacol/1,5-""Michael-like"" Reactions as a Strategic Approach to Bridgehead-Quaternary Center Aza[3.3.1]Bicyclics: Application to the Total Synthesis of (-)-Adaline","Journal of the American Chemical Society","2009","131","","876","877","10.1021/ja808533z","","","1.54178","CuKα","","0.0385","0.0379","","","0.1112","0.1118","","","","","","1.062","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103823","21.8377","0.0008","15.3687","0.0006","18.347","0.0007","90","","114.664","0.001","90","","5595.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,6-disipropylimido)(tris(trimetylphosphine))(hydrido)molybdenum chloride","","- C21 H45 Cl Mo N P3 -","- C21 H45 Cl Mo N P3 -","- C168 H360 Cl8 Mo8 N8 P24 -","8","2","","Erik Peterson; Andrey Y. Khalimon; Razvan Simionescu; Lyudmila G. Kuzmina; Judith A. K. Howard; Georgii I. Nikonov","Diversity of Catalysis by an Imido-Hydrido Complex of Molybdenum. Mechanism of Carbonyl Hydrosilylation and Silane Alcoholysis","Journal of the American Chemical Society","2009","131","","908","909","10.1021/ja8085388","","","0.71073","MoKα","","0.0758","0.0456","","","0.1023","0.1133","","","","","","1.02","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103824","13.396","0.002","14.841","0.003","24.848","0.004","87.145","0.003","85.91","0.004","66.989","0.003","4534.1","1.4","15","2","15","2","","","","","","","","8","P -1","-P 1","2","","","","- C93.64 H89.29 Cl3.29 Cu2 F12 N10 O15 P2 -","- C93.647 H89.294 Cl3.294 Cu2 F12 N10 O15 P2 -","- C187.294 H178.588 Cl6.588 Cu4 F24 N20 O30 P4 -","2","1","","Kristy A. McNitt; Kumar Parimal; Andrew I. Share; Albert C. Fahrenbach; Edward H. Witlicki; Maren Pink; D. Kwabena Bediako; Christina L. Plaisier; Nga Le; Lee P. Heeringa; Douglas A. Vander Griend; Amar H. Flood","Reduction of a Redox-Active Ligand Drives Switching in a Cu(I) Pseudorotaxane by a Bimolecular Mechanism","Journal of the American Chemical Society","2009","131","","1305","1313","10.1021/ja8085593","","","0.41328","synchrotron","","0.1312","0.0934","","","0.2371","0.2708","","","","","","1.047","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4103825","11.0618","0.0018","5.9755","0.001","6.3873","0.0011","90","","90","","90","","422.2","0.12","149","2","149","2","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","","","- Br3 Tc -","- Br3 Tc -","- Br12 Tc4 -","4","0.5","","Frederic Poineau; Efrain E. Rodriguez; Paul M. Forster; Alfred P. Sattelberger; Anthony K. Cheetham; Kenneth R. Czerwinski","Preparation of the Binary Technetium Bromides: TcBr3 and TcBr4","Journal of the American Chemical Society","2009","131","","910","911","10.1021/ja808597r","","","0.71073","MoKα","","0.0777","0.062","","","0.1799","0.1887","","","","","","1.028","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103826","6.3237","0.0005","12.1777","0.0009","14.7397","0.0011","90","","90","","90","","1135.08","0.15","157","2","157","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Br4 Tc -","- Br4 Tc -","- Br32 Tc8 -","8","1","","Frederic Poineau; Efrain E. Rodriguez; Paul M. Forster; Alfred P. Sattelberger; Anthony K. Cheetham; Kenneth R. Czerwinski","Preparation of the Binary Technetium Bromides: TcBr3 and TcBr4","Journal of the American Chemical Society","2009","131","","910","911","10.1021/ja808597r","","","0.71073","MoKα","","0.0306","0.0216","","","0.0441","0.0466","","","","","","1.071","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103827","8.7449","0.0012","11.7058","0.0016","14.97","0.002","98.446","0.002","96.896","0.002","109.595","0.003","1404.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 Ge N2 O2 -","- C30 H42 Ge N2 O2 -","- C60 H84 Ge2 N4 O4 -","2","1","","Anukul Jana; Debajyoti Ghoshal; Herbert W. Roesky; Ina Objartel; Gerald Schwab; Dietmar Stalke","A Germanium(II) Hydride as an Effective Reagent for Hydrogermylation Reactions","Journal of the American Chemical Society","2009","131","","1288","1293","10.1021/ja808656t","","","0.71073","MoKα","","0.0354","0.0342","","","0.087","0.0876","","","","","","1.136","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103828","11.9917","0.0019","20.4171","0.0032","13.7973","0.0022","90","","106.896","0.003","90","","3232.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Ge N2 O2 -","- C34 H48 Ge N2 O2 -","- C136 H192 Ge4 N8 O8 -","4","1","","Anukul Jana; Debajyoti Ghoshal; Herbert W. Roesky; Ina Objartel; Gerald Schwab; Dietmar Stalke","A Germanium(II) Hydride as an Effective Reagent for Hydrogermylation Reactions","Journal of the American Chemical Society","2009","131","","1288","1293","10.1021/ja808656t","","","0.71073","MoKα","","0.0535","0.0401","","","0.1042","0.1094","","","","","","1.068","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103829","12.0106","0.0019","15.01","0.002","19.635","0.003","90","","103.98","0.002","90","","3434.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H48 Ge N2 O4 -","- C35 H48 Ge N2 O4 -","- C140 H192 Ge4 N8 O16 -","4","1","","Anukul Jana; Debajyoti Ghoshal; Herbert W. Roesky; Ina Objartel; Gerald Schwab; Dietmar Stalke","A Germanium(II) Hydride as an Effective Reagent for Hydrogermylation Reactions","Journal of the American Chemical Society","2009","131","","1288","1293","10.1021/ja808656t","","","0.71073","MoKα","","0.0306","0.0264","","","0.0649","0.0668","","","","","","1.023","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103830","11.5788","0.0019","17.559","0.003","19.778","0.003","90","","103.221","0.002","90","","3914.5","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 Ge N2 O4 -","- C41 H60 Ge N2 O4 -","- C164 H240 Ge4 N8 O16 -","4","1","","Anukul Jana; Debajyoti Ghoshal; Herbert W. Roesky; Ina Objartel; Gerald Schwab; Dietmar Stalke","A Germanium(II) Hydride as an Effective Reagent for Hydrogermylation Reactions","Journal of the American Chemical Society","2009","131","","1288","1293","10.1021/ja808656t","","","0.71073","MoKα","","0.0339","0.0279","","","0.0666","0.0689","","","","","","1.047","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103831","12.7426","0.001","15.655","0.0012","18.0931","0.0014","90","","106.335","0.001","90","","3463.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","AJ-12","","","- C36 H50 Ge N2 S2 -","- C36 H50 Ge N2 S2 -","- C144 H200 Ge4 N8 S8 -","4","1","","Anukul Jana; Debajyoti Ghoshal; Herbert W. Roesky; Ina Objartel; Gerald Schwab; Dietmar Stalke","A Germanium(II) Hydride as an Effective Reagent for Hydrogermylation Reactions","Journal of the American Chemical Society","2009","131","","1288","1293","10.1021/ja808656t","","","0.71073","MoKα","","0.0274","0.0236","","","0.0611","0.0634","","","","","","1.045","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103832","11.035","0.002","10.918","0.002","25.983","0.005","90","","90","","90","","3130.4","1","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H36 N4 S4 -","- C32 H36 N4 S4 -","- C128 H144 N16 S16 -","4","0.5","","Vivian Wing-Wah Yam; Jason Ka-Wai Lee; Chi-Chiu Ko; Nianyong Zhu","Photochromic Diarylethene-Containing Ionic Liquids and N-Heterocyclic Carbenes","Journal of the American Chemical Society","2009","131","","912","913","10.1021/ja808791e","","","0.71073","MoKα","","0.0868","0.0397","","","0.0856","0.0973","","","","","","0.883","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103833","9.006","0.0018","20.473","0.004","11.705","0.002","90","","109.54","0.03","90","","2033.9","0.8","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 F6 N2 P S2 -","- C17 H21 F6 N2 P S2 -","- C68 H84 F24 N8 P4 S8 -","4","1","","Vivian Wing-Wah Yam; Jason Ka-Wai Lee; Chi-Chiu Ko; Nianyong Zhu","Photochromic Diarylethene-Containing Ionic Liquids and N-Heterocyclic Carbenes","Journal of the American Chemical Society","2009","131","","912","913","10.1021/ja808791e","","","0.71073","MoKα","","0.0653","0.0397","","","0.1049","0.1118","","","","","","1.049","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103834","8.222","0.003","8.984","0.003","17.071","0.005","85.15","0.03","82.8","0.03","65.11","0.03","1134.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Ag Cl3 N2 S2 -","- C18 H22 Ag Cl3 N2 S2 -","- C36 H44 Ag2 Cl6 N4 S4 -","2","1","","Vivian Wing-Wah Yam; Jason Ka-Wai Lee; Chi-Chiu Ko; Nianyong Zhu","Photochromic Diarylethene-Containing Ionic Liquids and N-Heterocyclic Carbenes","Journal of the American Chemical Society","2009","131","","912","913","10.1021/ja808791e","","","0.71073","MoKα","","0.0535","0.0388","","","0.1003","0.1088","","","","","","1.022","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103835","17.141","0.003","7.93","0.0016","14.179","0.003","90","","96.23","0.03","90","","1915.9","0.7","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Au Cl N2 S2 -","- C17 H20 Au Cl N2 S2 -","- C68 H80 Au4 Cl4 N8 S8 -","4","1","","Vivian Wing-Wah Yam; Jason Ka-Wai Lee; Chi-Chiu Ko; Nianyong Zhu","Photochromic Diarylethene-Containing Ionic Liquids and N-Heterocyclic Carbenes","Journal of the American Chemical Society","2009","131","","912","913","10.1021/ja808791e","","","0.71073","MoKα","","0.046","0.0412","","","0.1135","0.1254","","","","","","1.082","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103836","7.951","0.0016","11.154","0.002","11.492","0.002","103.03","0.03","91.32","0.03","103.46","0.03","962.6","0.4","263","2","263","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 I2 N4 Pd S4 -","- C34 H40 I2 N4 Pd S4 -","- C34 H40 I2 N4 Pd S4 -","1","0.5","","Vivian Wing-Wah Yam; Jason Ka-Wai Lee; Chi-Chiu Ko; Nianyong Zhu","Photochromic Diarylethene-Containing Ionic Liquids and N-Heterocyclic Carbenes","Journal of the American Chemical Society","2009","131","","912","913","10.1021/ja808791e","","","0.71073","MoKα","","0.0399","0.0334","","","0.0942","0.0958","","","","","","0.998","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103837","11.746","0.0005","13.361","0.0003","41.32","0.0013","90","","106.1","0.002","90","","6230.4","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cp2WSi4(SiMetBu2)","","- C52 H108 Si8 W -","- C52 H108 Si8 W -","- C208 H432 Si32 W4 -","4","1","","Kazunori Takanashi; Vladimir Ya. Lee; Taka Yokoyama; Akira Sekiguchi","Base-Free Molybdenum and Tungsten Bicyclic Silylene Complexes Stabilized by a Homoaromatic Contribution","Journal of the American Chemical Society","2009","131","","916","917","10.1021/ja8088313","","","0.7107","MoKα","","0.0786","0.0552","","","0.13","0.1425","","","","","","1.038","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103838","44.661","0.005","13.57","0.005","29.304","0.005","90","0.005","114.204","0.005","90","0.005","16198","7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C130 H144 F36 N16 O36 P4 Pd2 S4 -","- C130 H144 F36 N16 O36 P4 Pd2 S4 -","- C520 H576 F144 N64 O144 P16 Pd8 S16 -","4","0.5","","Carlos Peinador; Víctor Blanco; José M. Quintela","A New Doubly Interlocked [2]Catenane","Journal of the American Chemical Society","2009","131","","920","921","10.1021/ja8088372","","","0.71073","MoKα","","0.2033","0.1182","","","0.3223","0.391","","","","","","1.281","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103839","8.999","","18.435","","34.463","","90","","90","","90","","5717.29","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H27 N5 O3 Os -","- C30 H23 N5 O3 Os -","- C240 H184 N40 O24 Os8 -","8","1","","Subhas Samanta; Sreebrata Goswami","Regioselective Knitting of Anilinevia ortho-C-N Bond Fusion Using OsO4 as a Template","Journal of the American Chemical Society","2009","131","","924","925","10.1021/ja808901s","","","0.71073","MoKα","","0.1509","0.0874","","","0.1607","0.1832","","","","","","1.125","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4103840","26.657","0.005","9.5372","0.0017","16.013","0.003","90","","106.516","0.003","90","","3903.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C192 H144 N32 O8 Os8 -","- C192 H144 N32 O8 Os8 -","- C192 H144 N32 O8 Os8 -","1","0.25","","Subhas Samanta; Sreebrata Goswami","Regioselective Knitting of Anilinevia ortho-C-N Bond Fusion Using OsO4 as a Template","Journal of the American Chemical Society","2009","131","","924","925","10.1021/ja808901s","","","0.71073","MoKα","","0.0774","0.0543","","","0.1045","0.114","","","","","","1.172","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4103841","10.4293","0.0008","12.5452","0.0009","13.8588","0.0016","109.115","0.002","101.802","0.002","110.145","0.001","1502","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 N6 Os -","- C36 H26 N6 Os -","- C72 H52 N12 Os2 -","2","1","","Subhas Samanta; Sreebrata Goswami","Regioselective Knitting of Anilinevia ortho-C-N Bond Fusion Using OsO4 as a Template","Journal of the American Chemical Society","2009","131","","924","925","10.1021/ja808901s","","","0.71073","MoKα","","0.0231","0.021","","","0.0539","0.0546","","","","","","1.075","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103842","17.4203","0.0012","11.1311","0.0007","15.0886","0.0009","90","","110.124","0.004","90","","2747.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N6 Os -","- C36 H26 N6 Os -","- C144 H104 N24 Os4 -","4","1","","Subhas Samanta; Sreebrata Goswami","Regioselective Knitting of Anilinevia ortho-C-N Bond Fusion Using OsO4 as a Template","Journal of the American Chemical Society","2009","131","","924","925","10.1021/ja808901s","","","0.71073","MoKα","","0.0717","0.0426","","","0.0844","0.0917","","","","","","1.093","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103843","16.308","0.003","7.9739","0.0014","17.077","0.004","90","","109.33","0.004","90","","2095.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F2 N2 Pd -","- C10 H10 F2 N2 Pd -","- C80 H80 F16 N16 Pd8 -","8","2","","Vladimir V. Grushin; William J. Marshall","trans-Difluoro Complexes of Palladium(II)","Journal of the American Chemical Society","2009","131","","918","919","10.1021/ja808975a","","","0.71073","MoKα","","0.1023","0.056","","","0.1018","0.1243","","","","","","0.975","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103844","21.979","0.003","9.4601","0.001","15.5953","0.0017","90","","120.946","0.002","90","","2781","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 F N2 Pd -","- C16 H15 F N2 Pd -","- C128 H120 F8 N16 Pd8 -","8","1","","Vladimir V. Grushin; William J. Marshall","trans-Difluoro Complexes of Palladium(II)","Journal of the American Chemical Society","2009","131","","918","919","10.1021/ja808975a","","","0.71073","MoKα","","0.0432","0.0322","","","0.0754","0.0811","","","","","","1.059","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103845","17.553","0.01","10.013","0.006","9.524","0.005","90","","118.781","0.013","90","","1467.1","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 F N2 Pd -","- C16 H15 F N2 Pd -","- C64 H60 F4 N8 Pd4 -","4","0.5","","Vladimir V. Grushin; William J. Marshall","trans-Difluoro Complexes of Palladium(II)","Journal of the American Chemical Society","2009","131","","918","919","10.1021/ja808975a","","","0.71073","MoKα","","0.0708","0.0513","","","0.1103","0.1182","","","","","","1.044","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103846","8.71","0.003","14.865","0.005","5.3681","0.0018","90","","100.127","0.005","90","","684.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H10 I2 N2 Pd -","- C10 H10 I2 N2 Pd -","- C20 H20 I4 N4 Pd2 -","2","0.25","","Vladimir V. Grushin; William J. Marshall","trans-Difluoro Complexes of Palladium(II)","Journal of the American Chemical Society","2009","131","","918","919","10.1021/ja808975a","","","0.71073","MoKα","","0.0477","0.0389","","","0.1006","0.1067","","","","","","1.105","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103847","17.039","0.008","4.993","0.002","17.697","0.008","90","","115.202","0.006","90","","1362.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 I2 N2 Pd -","- C10 H10 I2 N2 Pd -","- C40 H40 I8 N8 Pd4 -","4","0.5","","Vladimir V. Grushin; William J. Marshall","trans-Difluoro Complexes of Palladium(II)","Journal of the American Chemical Society","2009","131","","918","919","10.1021/ja808975a","","","0.71073","MoKα","","0.0561","0.0417","","","0.0975","0.1042","","","","","","1.059","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103848","13.777","0.003","8.0323","0.0017","16.268","0.003","90","","90","","90","","1800.2","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H26 F2 N2 Pd -","- C18 H26 F2 N2 Pd -","- C72 H104 F8 N8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","trans-Difluoro Complexes of Palladium(II)","Journal of the American Chemical Society","2009","131","","918","919","10.1021/ja808975a","","","0.71073","MoKα","","0.1114","0.108","","","0.0599","0.0622","","","","","","0.868","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103849","16.821","0.014","12.063","0.01","11.799","0.009","90","","108.507","0.012","90","","2270","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 F N2 Pd -","- C24 H31 F N2 Pd -","- C96 H124 F4 N8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","trans-Difluoro Complexes of Palladium(II)","Journal of the American Chemical Society","2009","131","","918","919","10.1021/ja808975a","","","0.71073","MoKα","","0.0332","0.0258","","","0.0597","0.0635","","","","","","1.041","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103850","9.982","0.0003","17.5147","0.0006","24.8092","0.0008","99.753","0.002","92.355","0.002","103.755","0.002","4137.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42.5 H46 Cl6 Sb -","- C42.5 H46 Cl6 Sb -","- C170 H184 Cl24 Sb4 -","4","2","","Moloy Banerjee; Ruchi Shukla; Rajendra Rathore","Synthesis, Optical, and Electronic Properties of Soluble Poly-p-phenylene Oligomers as Models for Molecular Wires","Journal of the American Chemical Society","2009","131","","1780","1786","10.1021/ja805102d","","","1.54178","CuKα","","0.0308","0.0261","","","0.0648","0.0669","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103851","11.7185","0.0002","11.7394","0.0002","34.3511","0.0005","90","","92.989","0.001","90","","4719.19","0.13","100","2","100","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C32 H34 -","- C32 H34 -","- C256 H272 -","8","2","","Moloy Banerjee; Ruchi Shukla; Rajendra Rathore","Synthesis, Optical, and Electronic Properties of Soluble Poly-p-phenylene Oligomers as Models for Molecular Wires","Journal of the American Chemical Society","2009","131","","1780","1786","10.1021/ja805102d","","","1.54178","CuKα","","0.0317","0.0313","","","0.0853","0.0858","","","","","","1.011","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103852","13.5549","0.0002","15.6338","0.0003","18.5732","0.0003","90","","90","","90","","3935.93","0.11","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H19 Al N2 O4 -","- C23 H19 Al N2 O4 -","- C184 H152 Al8 N16 O32 -","8","1","","Victor A. Montes; Grigory V. Zyryanov; Evgeny Danilov; Neeraj Agarwal; Manuel A. Palacios; Pavel Anzenbacher","Ultrafast Energy Transfer in Oligofluorene-Aluminum Bis(8-hydroxyquinoline)acetylacetone Coordination Polymers","Journal of the American Chemical Society","2009","131","","1787","1795","10.1021/ja805175w","","","0.71073","MoKα","","0.0942","0.0539","","","0.0927","0.1032","","","","","","1.121","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103853","8.6445","0.0009","10.622","0.0011","26.384","0.003","90","","97.951","0.002","90","","2399.3","0.4","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 O8 -","- C28 H28 O8 -","- C112 H112 O32 -","4","1","","Scott A. Snyder; Steven P. Breazzano; Audrey G. Ross; Yunqing Lin; Alexandros L. Zografos","Total Synthesis of Diverse Carbogenic Complexity within the Resveratrol Class from a Common Building Block","Journal of the American Chemical Society","2009","131","","1753","1765","10.1021/ja806183r","","","0.71073","MoKα","","0.1101","0.0661","","","0.1696","0.1994","","","","","","1.041","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103854","8.8332","0.0004","9.7719","0.0004","16.816","0.0007","101.213","0.001","90.461","0.001","107.48","","1354.62","0.1","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 Cl3 O7 -","- C28 H29 Cl3 O7 -","- C56 H58 Cl6 O14 -","2","1","","Scott A. Snyder; Steven P. Breazzano; Audrey G. Ross; Yunqing Lin; Alexandros L. Zografos","Total Synthesis of Diverse Carbogenic Complexity within the Resveratrol Class from a Common Building Block","Journal of the American Chemical Society","2009","131","","1753","1765","10.1021/ja806183r","","","0.71073","MoKα","","0.062","0.041","","","0.1032","0.1144","","","","","","1.021","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103855","12.7907","0.001","15.3447","0.0012","12.2082","0.001","90","","107.131","0.001","90","","2289.8","0.3","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 O7 -","- C27 H28 O7 -","- C108 H112 O28 -","4","1","","Scott A. Snyder; Steven P. Breazzano; Audrey G. Ross; Yunqing Lin; Alexandros L. Zografos","Total Synthesis of Diverse Carbogenic Complexity within the Resveratrol Class from a Common Building Block","Journal of the American Chemical Society","2009","131","","1753","1765","10.1021/ja806183r","","","0.71073","MoKα","","0.1016","0.0648","","","0.1839","0.2112","","","","","","1.076","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103856","15.983","0.004","8.71","0.002","23.384","0.005","90","","109.854","0.003","90","","3061.8","1.2","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 Cl6 O6 -","- C27 H27 O6 -","- C108 H108 O24 -","4","1","","Scott A. Snyder; Steven P. Breazzano; Audrey G. Ross; Yunqing Lin; Alexandros L. Zografos","Total Synthesis of Diverse Carbogenic Complexity within the Resveratrol Class from a Common Building Block","Journal of the American Chemical Society","2009","131","","1753","1765","10.1021/ja806183r","","","0.71073","MoKα","","0.2107","0.1105","","","0.2835","0.3169","","","","","","1.017","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103857","8.6151","0.0012","22.939","0.003","11.7749","0.0016","90","","101.057","0.002","90","","2283.8","0.5","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 O6 -","- C27 H28 O6 -","- C108 H112 O24 -","4","1","","Scott A. Snyder; Steven P. Breazzano; Audrey G. Ross; Yunqing Lin; Alexandros L. Zografos","Total Synthesis of Diverse Carbogenic Complexity within the Resveratrol Class from a Common Building Block","Journal of the American Chemical Society","2009","131","","1753","1765","10.1021/ja806183r","","","0.71073","MoKα","","0.1577","0.0716","","","0.1735","0.2148","","","","","","1.032","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103858","12.4139","0.0004","5.3288","0.0002","17.1999","0.0006","90","","106.471","0.001","90","","1091.1","0.07","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O6 -","- C26 H26 O6 -","- C52 H52 O12 -","2","1","","Scott A. Snyder; Steven P. Breazzano; Audrey G. Ross; Yunqing Lin; Alexandros L. Zografos","Total Synthesis of Diverse Carbogenic Complexity within the Resveratrol Class from a Common Building Block","Journal of the American Chemical Society","2009","131","","1753","1765","10.1021/ja806183r","","","0.71073","MoKα","","0.051","0.0416","","","0.1042","0.1099","","","","","","1.029","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103859","15.104","0.0002","14.136","0.0002","16.745","0.0003","90","","99.633","0.001","90","","3524.82","0.09","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H42 F N2 O P Ru -","- C40 H42 F N2 O P Ru -","- C160 H168 F4 N8 O4 P4 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0443","0.0318","","","0.0729","0.0787","","","","","","1.071","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103860","13.731","0.0001","13.606","0.0001","21.764","0.0003","90","","105.746","0.004","90","","3913.46","0.1","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C44 H48 F N2 O2 P Ru -","- C44 H48 F N2 O2 P Ru -","- C176 H192 F4 N8 O8 P4 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0646","0.0396","","","0.0945","0.1059","","","","","","1.054","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103861","11.305","0.0002","11.897","0.0003","20.774","0.0006","96.212","0.001","96.477","0.001","118","0.002","2409.5","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H58 N2 O P2 Ru -","- C58 H58 N2 O P2 Ru -","- C116 H116 N4 O2 P4 Ru2 -","2","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.067","0.0504","","","0.11","0.1168","","","","","","1.146","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103862","11.753","0.0001","12.48","0.0001","39.072","0.0004","90","","90","","90","","5730.98","0.09","150","2","150","2","","","","","","","","6","P 21 c n","P -2n 2a","33","","","","- C68 H78 N2 O2 P2 Ru -","- C68 H78 N2 O2 P2 Ru -","- C272 H312 N8 O8 P8 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0778","0.0472","","","0.0757","0.0843","","","","","","1.048","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103863","11.601","0.0001","12.606","0.0002","39.35","0.0006","90","","90","","90","","5754.63","0.14","150","2","150","2","","","","","","","","6","P 21 c n","P -2n 2a","33","","","","- C68 H76 N2 O2 P2 Ru -","- C68 H76 N2 O2 P2 Ru -","- C272 H304 N8 O8 P8 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.073","0.047","","","0.0792","0.0874","","","","","","1.062","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103864","44.345","0.0005","13.664","0.0001","13.479","0.0001","90","","93.837","0.001","90","","8149.02","0.13","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H48 F N2 O2 P Ru -","- C47 H48 F N2 O2 P Ru -","- C376 H384 F8 N16 O16 P8 Ru8 -","8","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0492","0.034","","","0.0753","0.0822","","","","","","1.023","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103865","14.79","0.0002","17.245","0.0002","18.349","0.0003","90","","103.615","0.001","90","","4548.47","0.11","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H61 F N2 O2 P Ru -","- C50 H54 F N2 O2 P Ru -","- C200 H216 F4 N8 O8 P4 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0625","0.0403","","","0.0847","0.0935","","","","","","1.038","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103866","10.745","0.0001","31.766","0.0003","12.5","0.0001","90","","90","","90","","4266.57","0.07","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H54 F N2 O3 P Ru -","- C47 H52 F N2 O3 P Ru -","- C188 H208 F4 N8 O12 P4 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0523","0.045","","","0.0978","0.1012","","","","","","1.076","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103867","44.334","0.0005","13.712","0.0002","13.372","0.0002","90","","93.96","0.001","90","","8109.54","0.19","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H46 F N2 O2 P Ru -","- C47 H46 F N2 O2 P Ru -","- C376 H368 F8 N16 O16 P8 Ru8 -","8","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0658","0.0391","","","0.0797","0.0906","","","","","","1.043","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103868","30.622","0.004","12.7487","0.0017","26.301","0.004","90","","102.477","0.002","90","","10025","2","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H53 Cl5 O16 -","- C44 H48 O16 -","- C352 H384 O128 -","8","1","","Scott A. Snyder; Ferenc Kontes","Explorations into Neolignan Biosynthesis: Concise Total Syntheses of Helicterin B, Helisorin, and Helisterculin A from a Common Intermediate","Journal of the American Chemical Society","2009","131","","1745","1752","10.1021/ja806865u","","","0.71073","MoKα","","0.1428","0.0712","","","0.1694","0.1922","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103869","10.4583","0.0012","10.8459","0.0012","11.8553","0.0013","65.243","0.002","65.777","0.002","81.552","0.002","1113.1","0.2","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H28 O9 -","- C24 H28 O9 -","- C48 H56 O18 -","2","1","","Scott A. Snyder; Ferenc Kontes","Explorations into Neolignan Biosynthesis: Concise Total Syntheses of Helicterin B, Helisorin, and Helisterculin A from a Common Intermediate","Journal of the American Chemical Society","2009","131","","1745","1752","10.1021/ja806865u","","","0.71073","MoKα","","0.0639","0.0492","","","0.1681","0.1897","","","","","","1.051","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103870","8.224","0.002","10.543","0.003","12.41","0.003","70.152","0.004","81.717","0.004","81.656","0.004","996.2","0.4","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H25 O8 -","- C22 H25 O8 -","- C44 H50 O16 -","2","1","","Scott A. Snyder; Ferenc Kontes","Explorations into Neolignan Biosynthesis: Concise Total Syntheses of Helicterin B, Helisorin, and Helisterculin A from a Common Intermediate","Journal of the American Chemical Society","2009","131","","1745","1752","10.1021/ja806865u","","","0.71073","MoKα","","0.1891","0.0641","","","0.1234","0.1585","","","","","","1.01","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103871","12.2083","0.0008","14.8043","0.001","14.8729","0.001","86.302","0.001","69.538","0.001","89.653","0.001","2512.8","0.3","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H58 Cl4 O17 -","- C48 H56 Cl4 O17 -","- C96 H112 Cl8 O34 -","2","1","","Scott A. Snyder; Ferenc Kontes","Explorations into Neolignan Biosynthesis: Concise Total Syntheses of Helicterin B, Helisorin, and Helisterculin A from a Common Intermediate","Journal of the American Chemical Society","2009","131","","1745","1752","10.1021/ja806865u","","","0.71073","MoKα","","0.1339","0.0744","","","0.21","0.2483","","","","","","1.035","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103872","9.6319","0.0014","10.0782","0.0015","11.4236","0.0017","95.203","0.002","109.962","0.002","105.838","0.002","981.8","0.3","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O8 -","- C22 H22 O8 -","- C44 H44 O16 -","2","1","","Scott A. Snyder; Ferenc Kontes","Explorations into Neolignan Biosynthesis: Concise Total Syntheses of Helicterin B, Helisorin, and Helisterculin A from a Common Intermediate","Journal of the American Chemical Society","2009","131","","1745","1752","10.1021/ja806865u","","","0.71073","MoKα","","0.1394","0.0573","","","0.1105","0.135","","","","","","1.014","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103873","10.88","0.003","17.907","0.004","19.794","0.005","84.234","0.002","79.86","0.003","73.623","0.003","3636.9","1.6","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H82 B3 N7 O16 -","- C78 H82 B3 N7 O16 -","- C156 H164 B6 N14 O32 -","2","1","","Hiroshi Danjo; Kadzuya Hirata; Seiki Yoshigai; Isao Azumaya; Kentaro Yamaguchi","Back to Back Twin Bowls of D3-Symmetric Tris(spiroborate)s for Supramolecular Chain Structures","Journal of the American Chemical Society","2009","131","","1638","1639","10.1021/ja8071435","","","0.71073","MoKα","","0.1371","0.111","","","0.3551","0.3826","","","","","","1.534","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103874","21.698","0.014","22.607","0.014","27.01","0.008","67.78","0.08","73.26","0.09","68.21","0.08","11220","13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C252 H256 B6 Ir2 N20 O41 -","- C251.94 H255.88 B6 Ir2 N20 O41 -","- C503.88 H511.76 B12 Ir4 N40 O82 -","2","1","","Hiroshi Danjo; Kadzuya Hirata; Seiki Yoshigai; Isao Azumaya; Kentaro Yamaguchi","Back to Back Twin Bowls of D3-Symmetric Tris(spiroborate)s for Supramolecular Chain Structures","Journal of the American Chemical Society","2009","131","","1638","1639","10.1021/ja8071435","","","0.7","synchrotron","","0.1673","0.1421","","","0.3512","0.3921","","","","","","1.258","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103875","7.0932","0.0003","11.9357","0.0005","20.7406","0.0009","98.387","0.004","98.331","0.004","93.949","0.004","1711.56","0.13","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H20 F6 N6 O2 S2 -","- C42 H20 F6 N6 O2 S2 -","- C84 H40 F12 N12 O4 S4 -","2","1","","Taegweon Lee; Chad A. Landis; Bal Mukund Dhar; Byung Jun Jung; Jia Sun; Amy Sarjeant; Ho-Jin Lee; Howard E. Katz","Synthesis, Structural Characterization, and Unusual Field-Effect Behavior of Organic Transistor Semiconductor Oligomers: Inferiority of Oxadiazole Compared with Other Electron-Withdrawing Subunits","Journal of the American Chemical Society","2009","131","","1692","1705","10.1021/ja807219x","","","0.71073","MoKα","","0.1777","0.0846","","","0.1388","0.1757","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103876","26.3044","0.0008","26.3044","0.0008","26.3044","0.0008","90","","90","","90","","18200.6","1","296","2","293","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C76 H36 Cu12 N O112 Si W12 -","- C76 H36.24 Cu12 N O112 Si W12 -","- C304 H144.96 Cu48 N4 O448 Si4 W48 -","4","0.0208333","","Chun-Yan Sun; Shu-Xia Liu; Da-Dong Liang; Kui-Zhan Shao; Yuan-Hang Ren; Zhong-Min Su","Highly Stable Crystalline Catalysts Based on a Microporous Metal-Organic Framework and Polyoxometalates","Journal of the American Chemical Society","2009","131","","1883","1888","10.1021/ja807357r","","","0.71073","MoKα","","0.0434","0.0313","","","0.0965","0.1005","","","","","","1.089","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103877","26.3189","0.0012","26.318","0.012","26.318","0.012","90","","90","","90","","18229","12","296","2","293","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C76 H36 Cu12 Ge N O112 W12 -","- C76 H35.52 Cu12 Ge N O112 W12 -","- C304 H142.08 Cu48 Ge4 N4 O448 W48 -","4","0.0208333","","Chun-Yan Sun; Shu-Xia Liu; Da-Dong Liang; Kui-Zhan Shao; Yuan-Hang Ren; Zhong-Min Su","Highly Stable Crystalline Catalysts Based on a Microporous Metal-Organic Framework and Polyoxometalates","Journal of the American Chemical Society","2009","131","","1883","1888","10.1021/ja807357r","","","0.71073","MoKα","","0.0668","0.0493","","","0.1373","0.1608","","","","","","1.295","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103878","26.3141","0.0012","26.3141","0.0012","26.3141","0.0012","90","","90","","90","","18220.7","1.4","293","2","293","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C148 H48 Cu24 N2 O221.84 P2 W24 -","- C148 H48 Cu24 N2 O221.84 P2 W24 -","- C296 H96 Cu48 N4 O443.68 P4 W48 -","2","0.0104167","","Chun-Yan Sun; Shu-Xia Liu; Da-Dong Liang; Kui-Zhan Shao; Yuan-Hang Ren; Zhong-Min Su","Highly Stable Crystalline Catalysts Based on a Microporous Metal-Organic Framework and Polyoxometalates","Journal of the American Chemical Society","2009","131","","1883","1888","10.1021/ja807357r","","","0.71073","MoKα","","0.0541","0.0411","","","0.1214","0.1393","","","","","","1.275","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103879","26.3034","0.0009","26.3034","0.0009","26.3034","0.0009","90","","90","","90","","18198.5","1.1","296","2","296","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C304 Cu48 Mo48 N4 O461.2 Si4 -","- C304 Cu48 Mo48 N4 O461.2 Si4 -","- C304 Cu48 Mo48 N4 O461.2 Si4 -","1","0.00520833","","Chun-Yan Sun; Shu-Xia Liu; Da-Dong Liang; Kui-Zhan Shao; Yuan-Hang Ren; Zhong-Min Su","Highly Stable Crystalline Catalysts Based on a Microporous Metal-Organic Framework and Polyoxometalates","Journal of the American Chemical Society","2009","131","","1883","1888","10.1021/ja807357r","","","0.71073","MoKα","","0.0709","0.058","","","0.1857","0.1958","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103880","26.3348","0.0008","26.3348","0.0008","26.3348","0.0008","90","","90","","90","","18263.8","1","296","2","296","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C148 H48 Cu24 Mo24 N O224 P2 -","- C148 H48 Cu24 Mo24 N O224 P2 -","- C296 H96 Cu48 Mo48 N2 O448 P4 -","2","0.0104167","","Chun-Yan Sun; Shu-Xia Liu; Da-Dong Liang; Kui-Zhan Shao; Yuan-Hang Ren; Zhong-Min Su","Highly Stable Crystalline Catalysts Based on a Microporous Metal-Organic Framework and Polyoxometalates","Journal of the American Chemical Society","2009","131","","1883","1888","10.1021/ja807357r","","","0.71073","MoKα","","0.0547","0.0513","","","0.1618","0.1656","","","","","","1.139","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103881","26.3239","0.0006","26.3239","0.0006","26.3239","0.0006","90","","90","","90","","18241.1","0.7","293","2","293","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C148 H48 As2 Cu24 Mo24 N O212 -","- C148 H48 As2 Cu24 Mo24 N O212 -","- C296 H96 As4 Cu48 Mo48 N2 O424 -","2","0.0104167","","Chun-Yan Sun; Shu-Xia Liu; Da-Dong Liang; Kui-Zhan Shao; Yuan-Hang Ren; Zhong-Min Su","Highly Stable Crystalline Catalysts Based on a Microporous Metal-Organic Framework and Polyoxometalates","Journal of the American Chemical Society","2009","131","","1883","1888","10.1021/ja807357r","","","0.71073","MoKα","","0.0525","0.0496","","","0.1538","0.1561","","","","","","1.102","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103882","25.5737","0.0009","25.5737","0.0009","12.5736","0.0009","90","","90","","90","","8223.3","0.7","173","2","173","2","","","","","","","","6","P 41","P 4w","76","06235b","","","- C83 H62 F24 N14 P4 Ru2 -","- C83 H62 F24 N14 P4 Ru2 -","- C332 H248 F96 N56 P16 Ru8 -","4","1","","Kari A. McGee; Kent R. Mann","Inefficient Crystal Packing in Chiral [Ru(phen)3](PF6)2 Enables Oxygen Molecule Quenching of the Solid-State MLCT Emission","Journal of the American Chemical Society","2009","131","","1896","1902","10.1021/ja8075605","","","0.71073","MoKα","","0.1209","0.073","","","0.1549","0.1755","","","","","","1.027","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103883","11.5794","0.0003","13.935","0.0004","16.6418","0.0005","90","","105.578","0.001","90","","2586.66","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cl2 N2 O Ru -","- C27 H30 Cl2 N2 O Ru -","- C108 H120 Cl8 N8 O4 Ru4 -","4","1","","Ian C. Stewart; Diego Benitez; Daniel J. O'Leary; Ekaterina Tkatchouk; Michael W. Day; William A. Goddard; Robert H. Grubbs","Conformations of N-Heterocyclic Carbene Ligands in Ruthenium Complexes Relevant to Olefin Metathesis","Journal of the American Chemical Society","2009","131","","1931","1938","10.1021/ja8078913","","","0.71073","MoKα","","0.0575","0.0348","","","0.0652","0.0688","","","","","","1.35","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4103884","17.1288","0.0009","15.8049","0.0008","19.861","0.0012","90","","90","","90","","5376.7","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H28 Cl4 N2 Ru -","- C27 H28 Cl4 N2 Ru -","- C216 H224 Cl32 N16 Ru8 -","8","2","","Ian C. Stewart; Diego Benitez; Daniel J. O'Leary; Ekaterina Tkatchouk; Michael W. Day; William A. Goddard; Robert H. Grubbs","Conformations of N-Heterocyclic Carbene Ligands in Ruthenium Complexes Relevant to Olefin Metathesis","Journal of the American Chemical Society","2009","131","","1931","1938","10.1021/ja8078913","","","0.71073","MoKα","","0.1073","0.0538","","","0.0956","0.0995","","","","","","2.288","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4103885","6.3906","0.0002","10.7093","0.0002","39.9227","0.0006","90","","90","","90","","2732.26","0.11","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H37 N O3 Si -","- C29 H37 N O3 Si -","- C116 H148 N4 O12 Si4 -","4","1","","Yu-hong Lam; Paul Ha-Yeon Cheong; José M. Blasco Mata; Steven J. Stanway; Véronique Gouverneur; K. N. Houk","Diels-Alder Exo Selectivity in Terminal-Substituted Dienes and Dienophiles: Experimental Discoveries and Computational Explanations","Journal of the American Chemical Society","2009","131","","1947","1957","10.1021/ja8079548","","","0.71073","MoKα","","0.0606","0.0377","","0.0592","0.0411","0.0411","","","","","","1.0945","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103886","21.111","0.003","17.542","0.003","21.355","0.003","90","","97.37","0.03","90","","7843","2","294","2","294","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C55 H68 F6 N8 O16 S2 Zn -","- C55 H28 F6 N8 O15 S2 Zn -","- C220 H112 F24 N32 O60 S8 Zn4 -","4","1","","Shiyong Zhang; Shuaijun Yang; Jingbo Lan; Yurong Tang; Ying Xue; Jingsong You","Ultrasound-Induced Switching of Sheetlike Coordination Polymer Microparticles to Nanofibers Capable of Gelating Solvents","Journal of the American Chemical Society","2009","131","","1689","1691","10.1021/ja808210z","","","0.71073","MoKα","","0.2714","0.0989","","","0.2457","0.3209","","","","","","0.948","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103887","20.588","0.003","9.481","0.003","8.455","0.003","90","","110.54","0.03","90","","1545.5","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C72 H64 N16 O4 -","4","0.5","","Shiyong Zhang; Shuaijun Yang; Jingbo Lan; Yurong Tang; Ying Xue; Jingsong You","Ultrasound-Induced Switching of Sheetlike Coordination Polymer Microparticles to Nanofibers Capable of Gelating Solvents","Journal of the American Chemical Society","2009","131","","1689","1691","10.1021/ja808210z","","","0.71073","MoKα","","0.1257","0.0439","","","0.1007","0.123","","","","","","0.95","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103888","40.6692","0.0005","9.6463","0.0002","21.1243","0.0004","90","","120.872","0.001","90","","7113","0.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 B F10 Si2 Zr -","- C34 H33 B F10 Si2 Zr -","- C272 H264 B8 F80 Si16 Zr8 -","8","1","","Juri Ugolotti; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Five-Membered Zirconacycloallenoids: Synthesis and Characterization of Members of a Unique Class of Internally Metal-Stabilized Bent Allenoid Compounds","Journal of the American Chemical Society","2009","131","","1996","2007","10.1021/ja8084302","","","0.71073","MoKα","","0.1195","0.0522","","","0.1128","0.1344","","","","","","1.005","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103889","12.0655","0.0001","14.5258","0.0002","15.7909","0.0003","111.166","0.001","94.238","0.001","111.542","0.001","2331.55","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H57 B F10 Si2 Zr -","- C45 H57 B F10 Si2 Zr -","- C90 H114 B2 F20 Si4 Zr2 -","2","1","","Juri Ugolotti; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Five-Membered Zirconacycloallenoids: Synthesis and Characterization of Members of a Unique Class of Internally Metal-Stabilized Bent Allenoid Compounds","Journal of the American Chemical Society","2009","131","","1996","2007","10.1021/ja8084302","","","0.71073","MoKα","","0.0652","0.0453","","","0.1061","0.1163","","","","","","1.028","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103890","10.0841","0.0003","15.819","0.0005","11.5732","0.0004","90","","104.946","0.001","90","","1783.7","0.1","223","2","223","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H33 B F10 Si2 Zr -","- C34 H34 B F10 Si2 Zr -","- C68 H68 B2 F20 Si4 Zr2 -","2","0.5","","Juri Ugolotti; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Five-Membered Zirconacycloallenoids: Synthesis and Characterization of Members of a Unique Class of Internally Metal-Stabilized Bent Allenoid Compounds","Journal of the American Chemical Society","2009","131","","1996","2007","10.1021/ja8084302","","","0.71073","MoKα","","0.0957","0.0557","","","0.1191","0.1356","","","","","","1.019","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103891","11.366","0.01","11.366","0.01","29.309","0.027","90","","90","","120","","3279","5","173","2","173","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C38 H48 F12 Fe4 P2 Si2 -","- C38 H46 F12 Fe4 P2 Si2 -","- C114 H138 F36 Fe12 P6 Si6 -","3","0.5","","Masaaki Okazaki; Masato Takano; Fumiyuki Ozawa","Redox-Responsive Recombination of Carbon-Carbon Bonds on Flexible Tetrairon Cores","Journal of the American Chemical Society","2009","131","","1684","1685","10.1021/ja809540w","","x-ray","0.7107","MoKα","","0.0683","0.0608","","","0.1589","0.1663","","","","","","1.107","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103892","11.7779","0.0002","12.2958","0.0003","15.5196","0.0003","94.926","0.001","102.285","0.001","92.765","0.001","2182.84","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Fe(TpCF3PP)(NO)(1-MeIm)]","","","- C52 H30 F12 Fe N7 O -","- C52 H30 F11.994 Fe N7 O -","- C104 H60 F23.988 Fe2 N14 O2 -","2","1","","Nathan J. Silvernail; Alexander Barabanschikov; J. Timothy Sage; Bruce C. Noll; W. Robert Scheidt","Mapping NO Movements in Crystalline [Fe(Porph)(NO)(1-MeIm)]","Journal of the American Chemical Society","2009","131","","2131","2140","10.1021/ja8055613","","","0.71073","MoKα","","0.0557","0.0366","","","0.0799","0.0913","","","","","","1.068","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103893","12.0195","0.0002","12.5326","0.0002","15.5689","0.0003","95.222","0.001","101.446","0.001","94.253","0.001","2278.81","0.07","290","2","290","2","","","","","","","","6","P -1","-P 1","2","[Fe(TpCF3PP)(NO)(1-MeIm)]","","","- C52 H30 F12 Fe N7 O -","- C52 H30 F12 Fe N7 O -","- C104 H60 F24 Fe2 N14 O2 -","2","1","","Nathan J. Silvernail; Alexander Barabanschikov; J. Timothy Sage; Bruce C. Noll; W. Robert Scheidt","Mapping NO Movements in Crystalline [Fe(Porph)(NO)(1-MeIm)]","Journal of the American Chemical Society","2009","131","","2131","2140","10.1021/ja8055613","","","0.71073","MoKα","","0.0589","0.0484","","","0.1378","0.1501","","","","","","1.052","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103894","12.566","0.016","13.301","0.016","15.773","0.019","65.65","0.04","85.112","0.014","75.519","0.017","2325","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Fe(TpNO2FP)(NO)(1-MeIm)]","","","- C51.43 H34.85 Cl0.57 Fe N12.62 O8.99 -","- C51.427 H34.854 Cl0.573 Fe N12.618 O8.991 -","- C102.854 H69.708 Cl1.146 Fe2 N25.236 O17.982 -","2","1","","Nathan J. Silvernail; Alexander Barabanschikov; J. Timothy Sage; Bruce C. Noll; W. Robert Scheidt","Mapping NO Movements in Crystalline [Fe(Porph)(NO)(1-MeIm)]","Journal of the American Chemical Society","2009","131","","2131","2140","10.1021/ja8055613","","","0.71073","MoKα","","0.0654","0.0485","","","0.1252","0.1367","","","","","","1.038","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103895","9.6224","0.0002","17.514","0.0004","25.1564","0.0006","90","","90","","90","","4239.53","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Fe(TPP)(NO)(1-MeIm)].CHCl3","","","- C48.88 H34.88 Cl2.64 Fe N7 O -","- C48.8813 H34.8813 Cl2.6439 Fe N7 O -","- C195.525 H139.525 Cl10.5756 Fe4 N28 O4 -","4","1","","Nathan J. Silvernail; Alexander Barabanschikov; J. Timothy Sage; Bruce C. Noll; W. Robert Scheidt","Mapping NO Movements in Crystalline [Fe(Porph)(NO)(1-MeIm)]","Journal of the American Chemical Society","2009","131","","2131","2140","10.1021/ja8055613","","","0.71073","MoKα","","0.0469","0.0384","","","0.0968","0.1019","","","","","","1.032","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103896","9.755","0.0003","17.7199","0.0005","25.3249","0.0007","90","","90","","90","","4377.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Fe(TPP)(NO)(1-MeIm)].CHCl3","","","- C48.74 H34.74 Cl2.23 Fe N7 O0.99 -","- C48.742 H34.742 Cl2.226 Fe N7 O0.991 -","- C194.968 H138.968 Cl8.904 Fe4 N28 O3.964 -","4","1","","Nathan J. Silvernail; Alexander Barabanschikov; J. Timothy Sage; Bruce C. Noll; W. Robert Scheidt","Mapping NO Movements in Crystalline [Fe(Porph)(NO)(1-MeIm)]","Journal of the American Chemical Society","2009","131","","2131","2140","10.1021/ja8055613","","","0.71073","MoKα","","0.0739","0.0564","","","0.1702","0.1897","","","","","","1.059","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103897","9.142","0.004","6.37","0.003","5.889","0.003","90","","90","","90","","342.9","0.3","143","2","143","2","","","","","","","","3","I m a 2","I 2 -2a","46","","ammonia acetylene cocrystal","","- C2 H5 N -","- C2 H5.02 N -","- C8 H20.08 N4 -","4","0.5","","Roland Boese; Dieter Bläser; Georg Jansen","Synthesis and Theoretical Characterization of an Acetylene-Ammonia Cocrystal","Journal of the American Chemical Society","2009","131","","2104","2106","10.1021/ja8059705","","","0.71073","MoKα","","0.052","0.0461","","","0.0929","0.0973","","","","","","1.29","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103898","9.142","0.004","6.37","0.003","5.889","0.003","90","","90","","90","","342.9","0.3","293","2","293","2","","","","","","","","3","I m a 2","I 2 -2a","46","","ammonia acetylene cocrystal","","- C2 H5 N -","- C2 H5.02 N -","- C8 H20.08 N4 -","4","0.5","","Roland Boese; Dieter Bläser; Georg Jansen","Synthesis and Theoretical Characterization of an Acetylene-Ammonia Cocrystal","Journal of the American Chemical Society","2009","131","","2104","2106","10.1021/ja8059705","","","0.71073","MoKα","","0.0597","0.054","","","0.1361","0.1452","","","","","","0.925","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103899","18.513","0.001","18.513","0.001","45.354","0.005","90","","90","","120","","13461.7","1.8","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C35 H43 Cu2 N3 O16 -","- C26 H8 Cu2 O10 -","- C234 H72 Cu18 O90 -","9","0.25","","Xiang Lin; Irvin Telepeni; Alexander J. Blake; Anne Dailly; Craig M. Brown; Jason M. Simmons; Marco Zoppi; Gavin S. Walker; K. Mark Thomas; Timothy J. Mays; Peter Hubberstey; Neil R. Champness; Martin Schröder","High Capacity Hydrogen Adsorption in Cu(II) Tetracarboxylate Framework Materials: The Role of Pore Size, Ligand Functionalization, and Exposed Metal Sites","Journal of the American Chemical Society","2009","131","","2159","2171","10.1021/ja806624j","","","0.71073","MoKα","","0.161","0.113","","","0.312","0.336","","","","","","0.99","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103900","18.348","0.001","18.348","0.001","65.094","0.002","90","","90","","120","","18977.9","1.6","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C74 H70 Cu4 N2 O28 -","- C66 H12 Cu4 O20 -","- C594 H108 Cu36 O180 -","9","0.25","","Xiang Lin; Irvin Telepeni; Alexander J. Blake; Anne Dailly; Craig M. Brown; Jason M. Simmons; Marco Zoppi; Gavin S. Walker; K. Mark Thomas; Timothy J. Mays; Peter Hubberstey; Neil R. Champness; Martin Schröder","High Capacity Hydrogen Adsorption in Cu(II) Tetracarboxylate Framework Materials: The Role of Pore Size, Ligand Functionalization, and Exposed Metal Sites","Journal of the American Chemical Society","2009","131","","2159","2171","10.1021/ja806624j","","","0.6907","Synchrotron","","0.196","0.132","","","0.372","0.402","","","","","","1.23","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103901","18.5944","0.0019","18.5944","0.0019","38.671","0.004","90","","90","","120","","11579","2","150","2","150","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C32 H42 Cu2 F2 N2 O18 -","- C22 H8 Cu2 F2 O10 -","- C198 H72 Cu18 F18 O90 -","9","0.25","","Xiang Lin; Irvin Telepeni; Alexander J. Blake; Anne Dailly; Craig M. Brown; Jason M. Simmons; Marco Zoppi; Gavin S. Walker; K. Mark Thomas; Timothy J. Mays; Peter Hubberstey; Neil R. Champness; Martin Schröder","High Capacity Hydrogen Adsorption in Cu(II) Tetracarboxylate Framework Materials: The Role of Pore Size, Ligand Functionalization, and Exposed Metal Sites","Journal of the American Chemical Society","2009","131","","2159","2171","10.1021/ja806624j","","","0.71073","MoKα","","0.0456","0.0368","","","0.0897","0.0917","","","","","","0.912","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103902","18.504","0.002","18.504","0.002","39.035","0.005","90","","90","","120","","11575","2","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C24.75 H21.75 Cu2 N0.25 O11.25 -","- C24 H14 Cu2 O10 -","- C216 H126 Cu18 O90 -","9","0.25","","Xiang Lin; Irvin Telepeni; Alexander J. Blake; Anne Dailly; Craig M. Brown; Jason M. Simmons; Marco Zoppi; Gavin S. Walker; K. Mark Thomas; Timothy J. Mays; Peter Hubberstey; Neil R. Champness; Martin Schröder","High Capacity Hydrogen Adsorption in Cu(II) Tetracarboxylate Framework Materials: The Role of Pore Size, Ligand Functionalization, and Exposed Metal Sites","Journal of the American Chemical Society","2009","131","","2159","2171","10.1021/ja806624j","","","0.7848","Synchrotron","","0.0963","0.0651","","","0.185","0.196","","","","","","0.98","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103903","18.525","0.001","18.525","0.001","38.83","0.002","90","","90","","120","","11540.2","1.1","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C25 H19 Cu2 F4 N O12 -","- C22 H6 Cu2 F4 O10 -","- C198 H54 Cu18 F36 O90 -","9","0.25","","Xiang Lin; Irvin Telepeni; Alexander J. Blake; Anne Dailly; Craig M. Brown; Jason M. Simmons; Marco Zoppi; Gavin S. Walker; K. Mark Thomas; Timothy J. Mays; Peter Hubberstey; Neil R. Champness; Martin Schröder","High Capacity Hydrogen Adsorption in Cu(II) Tetracarboxylate Framework Materials: The Role of Pore Size, Ligand Functionalization, and Exposed Metal Sites","Journal of the American Chemical Society","2009","131","","2159","2171","10.1021/ja806624j","","","0.6907","Synchrotron","","0.0725","0.0589","","","0.164","0.172","","","","","","1.04","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103904","18.852","0.003","18.852","0.003","27.417","0.006","90","","90","","90","","9744","3","150","2","150","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C44 H66 Cu2 N6 O20 -","- C26 H6 Cu2 O10.28 -","- C208 H48 Cu16 O82.24 -","8","0.25","","Xiang Lin; Irvin Telepeni; Alexander J. Blake; Anne Dailly; Craig M. Brown; Jason M. Simmons; Marco Zoppi; Gavin S. Walker; K. Mark Thomas; Timothy J. Mays; Peter Hubberstey; Neil R. Champness; Martin Schröder","High Capacity Hydrogen Adsorption in Cu(II) Tetracarboxylate Framework Materials: The Role of Pore Size, Ligand Functionalization, and Exposed Metal Sites","Journal of the American Chemical Society","2009","131","","2159","2171","10.1021/ja806624j","","","0.864","synchrotronradiation","","0.0821","0.0676","","","0.181","0.192","","","","","","1.04","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103905","8.7902","0.0001","45.7088","0.0006","7.6051","0.0001","90","","90","","90","","3055.65","0.07","223.1","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H25 Cl3 N2 O -","- C38 H25 Cl3 N2 O -","- C152 H100 Cl12 N8 O4 -","4","1","","Ken Albrecht; Kimihisa Yamamoto","Dendritic Structure Having a Potential Gradient: New Synthesis and Properties of Carbazole Dendrimers","Journal of the American Chemical Society","2009","131","","2244","2251","10.1021/ja807312e","","","1.54187","CuKα","","","0.037","","","","0.0346","","","","","","0.918","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103906","8.1267","0.0019","12.837","0.003","9.775","0.003","90","","99.493","0.012","90","","1005.8","0.5","223.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H21 Fe N -","- C28 H21 Fe N -","- C56 H42 Fe2 N2 -","2","1","","Ken Albrecht; Kimihisa Yamamoto","Dendritic Structure Having a Potential Gradient: New Synthesis and Properties of Carbazole Dendrimers","Journal of the American Chemical Society","2009","131","","2244","2251","10.1021/ja807312e","","","0.71075","MoKα","","","0.0268","","","","0.072","","","","","","0.617","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103907","14.0077","0.0017","17.5798","0.0018","18.722","0.002","76.256","0.006","74.551","0.007","74.555","0.006","4213.8","0.8","223.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C109 H52 N6 O -","- C109 H52 N6 O -","- C218 H104 N12 O2 -","2","1","","Ken Albrecht; Kimihisa Yamamoto","Dendritic Structure Having a Potential Gradient: New Synthesis and Properties of Carbazole Dendrimers","Journal of the American Chemical Society","2009","131","","2244","2251","10.1021/ja807312e","","","1.54187","CuKα","","","0.0973","","","","0.2966","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103908","10.8911","0.0007","34.7331","0.0018","11.3866","0.0007","90","","108.577","0.0015","90","","4082.9","0.4","103.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C52 H35 Cl3 Fe N3 -","- C53 H36 Cl3 Fe N3 -","- C212 H144 Cl12 Fe4 N12 -","4","1","","Ken Albrecht; Kimihisa Yamamoto","Dendritic Structure Having a Potential Gradient: New Synthesis and Properties of Carbazole Dendrimers","Journal of the American Chemical Society","2009","131","","2244","2251","10.1021/ja807312e","","","0.71075","MoKα","","","0.0556","","","","0.1389","","","","","","0.882","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103909","11.135","0.0008","6.5575","0.0004","4.9194","0.0003","90","","90","","90","","359.2","0.04","150","","150","","","","","","","","Christina Tang & Tony Downs","4","P n m a","-P 2ac 2n","62","","","","- C H8 B N -","- C H8 B N -","- C4 H32 B4 N4 -","4","0.5","","Simon Aldridge; Anthony J. Downs; Christina Y. Tang; Simon Parsons; Michael C. Clarke; Russell D. L. Johnstone; Heather E. Robertson; David W. H. Rankin; Derek A. Wann","Structures and Aggregation of the Methylamine-Borane Molecules, MenH3-nN.BH3 (n= 1-3), Studied by X-ray Diffraction, Gas-Phase Electron Diffraction, and Quantum Chemical Calculations","Journal of the American Chemical Society","2009","131","","2231","2243","10.1021/ja807545p","","","0.71073","MoKα","","0.052","0.0381","","0.1054","0.0964","0.1054","","","","","","1.0019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103910","7.0452","0.0006","5.8368","0.0005","12.2335","0.0014","90","","104.648","0.004","90","","486.71","0.08","150","","150","","","","","","","","Tony Downs & Christina Tang","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H10 B N -","- C2 H10 B N -","- C8 H40 B4 N4 -","4","1","","Simon Aldridge; Anthony J. Downs; Christina Y. Tang; Simon Parsons; Michael C. Clarke; Russell D. L. Johnstone; Heather E. Robertson; David W. H. Rankin; Derek A. Wann","Structures and Aggregation of the Methylamine-Borane Molecules, MenH3-nN.BH3 (n= 1-3), Studied by X-ray Diffraction, Gas-Phase Electron Diffraction, and Quantum Chemical Calculations","Journal of the American Chemical Society","2009","131","","2231","2243","10.1021/ja807545p","","","0.71073","MoKα","","0.0549","0.0416","","0.112","0.1021","0.112","","","","","","1.0032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103911","9.0792","0.0005","9.0792","0.0005","5.8922","0.0005","90","","90","","120","","420.63","0.05","150","","150","","","","","","","","Christina Tang, Oxford.","4","R 3 m :H","R 3 -2""","160","","","","- C3 H12 B N -","- C3 H12 B N -","- C9 H36 B3 N3 -","3","0.166667","","Simon Aldridge; Anthony J. Downs; Christina Y. Tang; Simon Parsons; Michael C. Clarke; Russell D. L. Johnstone; Heather E. Robertson; David W. H. Rankin; Derek A. Wann","Structures and Aggregation of the Methylamine-Borane Molecules, MenH3-nN.BH3 (n= 1-3), Studied by X-ray Diffraction, Gas-Phase Electron Diffraction, and Quantum Chemical Calculations","Journal of the American Chemical Society","2009","131","","2231","2243","10.1021/ja807545p","","","0.71073","MoKα","","0.0286","0.0283","","0.0738","0.0734","0.0738","","","","","","1.0092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103912","7.6417","0.0004","10.3281","0.0006","18.8545","0.0011","90","","92.941","0.002","90","","1486.12","0.15","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cs6 Ge4 H8 O24 U3 -","- Cs6 Ge4 O24 U3 -","- Cs12 Ge8 O48 U6 -","2","0.5","","Chia-Hui Lin; Ray-Kuang Chiang; Kwang-Hwa Lii","Synthesis of Thermally Stable Extra-Large Pore Crystalline Materials: A Uranyl Germanate with 12-Ring Channels","Journal of the American Chemical Society","2009","131","","2068","2069","10.1021/ja8084143","","","0.71073","MoKα","","0.0232","0.0197","","","0.04","0.041","","","","","","1.063","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103913","12.722","0.0015","13.0859","0.0015","14.9523","0.0017","90","","90","","90","","2489.2","0.5","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 O3 -","- C11 H20 O3 -","- C88 H160 O24 -","8","2","","Amos B. Smith III; Todd Bosanac; Kallol Basu","Evolution of the Total Synthesis of (-)-Okilactomycin Exploiting a Tandem Oxy-Cope Rearrangement/Oxidation, a Petasis-Ferrier Union/Rearrangement, and Ring-Closing Metathesis","Journal of the American Chemical Society","2009","131","","2348","2358","10.1021/ja8084669","","","0.71069","MoKα","","0.0552","0.0472","","","0.1189","0.1268","","","","","","1.044","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103914","10.291","0.012","7.147","0.005","14.561","0.012","90","","108.581","0.009","90","","1015.1","1.6","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C44 H68 O8 -","2","1","","Amos B. Smith III; Todd Bosanac; Kallol Basu","Evolution of the Total Synthesis of (-)-Okilactomycin Exploiting a Tandem Oxy-Cope Rearrangement/Oxidation, a Petasis-Ferrier Union/Rearrangement, and Ring-Closing Metathesis","Journal of the American Chemical Society","2009","131","","2348","2358","10.1021/ja8084669","","","0.71069","MoKα","","0.0361","0.0338","","","0.0851","0.0876","","","","","","1.067","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103915","10.8093","0.0009","11.143","0.001","20.0215","0.0019","90","","90","","90","","2411.6","0.4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H37 I O4 -","- C24 H37 I O4 -","- C96 H148 I4 O16 -","4","1","","Amos B. Smith III; Todd Bosanac; Kallol Basu","Evolution of the Total Synthesis of (-)-Okilactomycin Exploiting a Tandem Oxy-Cope Rearrangement/Oxidation, a Petasis-Ferrier Union/Rearrangement, and Ring-Closing Metathesis","Journal of the American Chemical Society","2009","131","","2348","2358","10.1021/ja8084669","","","0.71069","MoKα","","0.0359","0.0332","","","0.0746","0.0778","","","","","","1.063","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103916","7.4743","0.0005","14.7529","0.0007","7.7424","0.0004","90","","90","","90","","853.74","0.08","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Si4 -","- Gd5 Si4 -","- Gd20 Si16 -","4","0.5","","Volodymyr Svitlyk; Gordon J. Miller; Yurij Mozharivskyj","Gd5Si4-xPx: Targeted Structural Changes through Increase in Valence Electron Count","Journal of the American Chemical Society","2009","131","","2367","2374","10.1021/ja8085033","","","0.71073","MoKα","","0.0419","0.0344","","","0.0749","0.0774","","","","","","1.089","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103917","7.6067","0.0017","14.645","0.003","7.6843","0.0016","90","","90","","90","","856","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd5 P1.25 Si2.75 -","- Gd5 P1.24 Si2.76 -","- Gd20 P4.96 Si11.04 -","4","0.5","","Volodymyr Svitlyk; Gordon J. Miller; Yurij Mozharivskyj","Gd5Si4-xPx: Targeted Structural Changes through Increase in Valence Electron Count","Journal of the American Chemical Society","2009","131","","2367","2374","10.1021/ja8085033","","","0.71073","MoKα","","0.0824","0.0754","","","0.1655","0.1688","","","","","","1.11","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103918","12.03","0.005","17.467","0.005","17.5333","0.0014","90","","107.689","0.011","90","","3510","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Li2 O6 Zn -","- C36 H44 Li2 O6 Zn -","- C144 H176 Li8 O24 Zn4 -","4","1","","William Clegg; Ben Conway; Eva Hevia; Matthew D. McCall; Luca Russo; Robert E. Mulvey","Closer Insight into the Reactivity of TMP-Dialkyl Zincates in Directed ortho-Zincation of Anisole: Experimental Evidence of Amido Basicity and Structural Elucidation of Key Reaction Intermediates","Journal of the American Chemical Society","2009","131","","2375","2384","10.1021/ja8087168","","","0.71073","MoKα","","0.1093","0.0483","","","0.0832","0.1007","","","","","","1.04","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103919","8.3053","0.0003","13.0406","0.0003","16.4544","0.0005","90","","90","","90","","1782.11","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H29 Li N2 O Zn -","- C15 H29 Li N2 O Zn -","- C60 H116 Li4 N8 O4 Zn4 -","4","1","","William Clegg; Ben Conway; Eva Hevia; Matthew D. McCall; Luca Russo; Robert E. Mulvey","Closer Insight into the Reactivity of TMP-Dialkyl Zincates in Directed ortho-Zincation of Anisole: Experimental Evidence of Amido Basicity and Structural Elucidation of Key Reaction Intermediates","Journal of the American Chemical Society","2009","131","","2375","2384","10.1021/ja8087168","","","0.71073","MoKα","","0.0411","0.0288","","","0.0406","0.0425","","","","","","0.887","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103920","12.0463","0.0003","14.9178","0.0005","15.5281","0.0004","90","","90","","90","","2790.47","0.14","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H48 Li N3 O Zn -","- C24 H48 Li N3 O Zn -","- C96 H192 Li4 N12 O4 Zn4 -","4","1","","William Clegg; Ben Conway; Eva Hevia; Matthew D. McCall; Luca Russo; Robert E. Mulvey","Closer Insight into the Reactivity of TMP-Dialkyl Zincates in Directed ortho-Zincation of Anisole: Experimental Evidence of Amido Basicity and Structural Elucidation of Key Reaction Intermediates","Journal of the American Chemical Society","2009","131","","2375","2384","10.1021/ja8087168","","","0.71073","MoKα","","0.0619","0.0375","","","0.0748","0.0782","","","","","","0.933","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103921","11.2443","0.0002","10.0849","0.0002","21.2607","0.0004","90","","90","","90","","2410.91","0.08","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N2 O2 S2 -","- C12 H10 N2 O2 S2 -","- C96 H80 N16 O16 S16 -","8","1","","Takashi Hirano; Yosuke Hasumi; Kazuhiro Ohtsuka; Shojiro Maki; Haruki Niwa; Minoru Yamaji; Daisuke Hashizume","Spectroscopic Studies of the Light-Color Modulation Mechanism of Firefly (Beetle) Bioluminescence","Journal of the American Chemical Society","2009","131","","2385","2396","10.1021/ja808836b","","","0.71073","MoKα","","0.0458","0.0317","","","0.0753","0.0812","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103922","6.8862","0.0014","12.4986","0.0017","16.205","0.003","101.436","0.006","101.429","0.008","96.34","0.013","1323.6","0.4","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 N2 O2 S2 -","- C13 H12 N2 O2 S2 -","- C52 H48 N8 O8 S8 -","4","2","","Takashi Hirano; Yosuke Hasumi; Kazuhiro Ohtsuka; Shojiro Maki; Haruki Niwa; Minoru Yamaji; Daisuke Hashizume","Spectroscopic Studies of the Light-Color Modulation Mechanism of Firefly (Beetle) Bioluminescence","Journal of the American Chemical Society","2009","131","","2385","2396","10.1021/ja808836b","","","0.71073","MoKα","","0.1011","0.0586","","","0.1511","0.176","","","","","","1.021","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103923","56.082","0.003","13.3274","0.0008","21.6153","0.0012","90","","110.135","0.002","90","","15168.5","1.5","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C83 H88 N6 O3 Ti2 -","- C83 H88 N6 O3 Ti2 -","- C664 H704 N48 O24 Ti16 -","8","2","","Jason A. Bexrud; Patrick Eisenberger; David C. Leitch; Philippa R. Payne; Laurel L. Schafer","Selective C-H Activation α to Primary Amines. Bridging Metallaaziridines for Catalytic, Intramolecular α-Alkylation","Journal of the American Chemical Society","2009","131","","2116","2118","10.1021/ja808862w","","","0.71073","MoKα","","0.0498","0.0409","","","0.109","0.1154","","","","","","1.019","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103924","12.8333","0.0006","9.9404","0.0005","34.8473","0.0015","90","","90","","90","","4445.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H31 N O S -","- C26 H28 N O2 S -","- C208 H224 N8 O16 S8 -","8","1","","Jason A. Bexrud; Patrick Eisenberger; David C. Leitch; Philippa R. Payne; Laurel L. Schafer","Selective C-H Activation α to Primary Amines. Bridging Metallaaziridines for Catalytic, Intramolecular α-Alkylation","Journal of the American Chemical Society","2009","131","","2116","2118","10.1021/ja808862w","","","0.71073","MoKα","","0.0711","0.0493","","","0.1208","0.1333","","","","","","1.044","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103925","7.5843","0.0008","9.7333","0.0011","11.8584","0.0013","88.595","0.003","83.254","0.003","68.29","0.003","807.5","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 N O2 S -","- C18 H20 N O2 S -","- C36 H40 N2 O4 S2 -","2","1","","Jason A. Bexrud; Patrick Eisenberger; David C. Leitch; Philippa R. Payne; Laurel L. Schafer","Selective C-H Activation α to Primary Amines. Bridging Metallaaziridines for Catalytic, Intramolecular α-Alkylation","Journal of the American Chemical Society","2009","131","","2116","2118","10.1021/ja808862w","","","0.71073","MoKα","","0.0541","0.0491","","","0.1353","0.1417","","","","","","0.563","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103926","9.636","0.002","11.622","0.003","15.13","0.004","90","","90","","90","","1694.4","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O -","- C20 H24 N O -","- C80 H96 N4 O4 -","4","1","","Jason A. Bexrud; Patrick Eisenberger; David C. Leitch; Philippa R. Payne; Laurel L. Schafer","Selective C-H Activation α to Primary Amines. Bridging Metallaaziridines for Catalytic, Intramolecular α-Alkylation","Journal of the American Chemical Society","2009","131","","2116","2118","10.1021/ja808862w","","","0.71073","MoKα","","0.0987","0.0717","","","0.1923","0.2197","","","","","","1.04","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103927","13.297","0.003","13.818","0.003","18.023","0.003","93.172","0.003","101.882","0.003","91.269","0.003","3233.7","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H87 B Cl2 N2 O Os P2 -","- C71 H87 B Cl2 N2 O Os P2 -","- C142 H174 B2 Cl4 N4 O2 Os2 P4 -","2","1","","Tamara Bolaño; Ricardo Castarlenas; Miguel A. Esteruelas; Enrique Oñate","Nazarov Type Cyclization on an Osmium-Dienylcarbene Complex","Journal of the American Chemical Society","2009","131","","2064","2065","10.1021/ja8093058","","","0.71073","MoKα","","0.0781","0.0611","","","0.1301","0.1382","","","","","","1.07","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103928","15.252","0.003","23.471","0.004","18.257","0.004","90","","91.508","0.004","90","","6533","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H81 B30 Cl Li N3 Ni3 O6 -","- C39 H81 B30 Cl Li N3 Ni3 O6 -","- C156 H324 B120 Cl4 Li4 N12 Ni12 O24 -","4","1","","Zaozao Qiu; Zuowei Xie","Nickel-Mediated Three-Component Cycloaddition Reaction of Carboryne, Alkenes, and Alkynes","Journal of the American Chemical Society","2009","131","","2084","2085","10.1021/ja809389k","","","0.71073","MoKα","","0.1738","0.062","","","0.1457","0.2124","","","","","","1.01","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103929","21.807","0.004","10.773","0.002","24.597","0.005","90","","108.214","0.005","90","","5489","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 B10 O2 -","- C6 H18 B10 O2 -","- C96 H288 B160 O32 -","16","4","","Zaozao Qiu; Zuowei Xie","Nickel-Mediated Three-Component Cycloaddition Reaction of Carboryne, Alkenes, and Alkynes","Journal of the American Chemical Society","2009","131","","2084","2085","10.1021/ja809389k","","","0.71073","MoKα","","0.1893","0.0761","","","0.2165","0.3028","","","","","","1.079","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103930","12.961","0.002","7.0537","0.0011","23.025","0.003","90","","98.982","0.002","90","","2079.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 B10 N -","- C18 H25 B10 N -","- C72 H100 B40 N4 -","4","1","","Zaozao Qiu; Zuowei Xie","Nickel-Mediated Three-Component Cycloaddition Reaction of Carboryne, Alkenes, and Alkynes","Journal of the American Chemical Society","2009","131","","2084","2085","10.1021/ja809389k","","","0.71073","MoKα","","0.0843","0.0574","","","0.1583","0.182","","","","","","1.023","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103931","10.4119","0.0012","14.9521","0.0017","12.0963","0.0013","90","","102.436","0.002","90","","1839","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H26 B10 O2 -","- C12 H26 B10 O2 -","- C48 H104 B40 O8 -","4","2","","Zaozao Qiu; Zuowei Xie","Nickel-Mediated Three-Component Cycloaddition Reaction of Carboryne, Alkenes, and Alkynes","Journal of the American Chemical Society","2009","131","","2084","2085","10.1021/ja809389k","","","0.71073","MoKα","","0.1184","0.059","","","0.122","0.1513","","","","","","1.005","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103932","5.0792","0.001","15.951","0.003","24.316","0.005","90","","90","","90","","1970","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N O4 -","- C20 H21 Br N O4 -","- C80 H84 Br4 N4 O16 -","4","1","","K. C. Nicolaou; Rüdiger Reingruber; David Sarlah; Stefan Bräse","Enantioselective Intramolecular Friedel-Crafts-Type α-Arylation of Aldehydes","Journal of the American Chemical Society","2009","131","","2086","2087","10.1021/ja809405c","","","0.71073","MoKα","","0.1216","0.0708","","","0.1815","0.2168","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103933","11.3854","0.0012","10.5567","0.0012","28.68","0.003","90","","99.251","0.003","90","","3402.3","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C168 H176 O16 -","8","2","","Yu-Chia Hsu; Chun-Ming Ting; Rai-Shung Liu","Stereocontrolled Synthesis of Complicated Oxacyclic Compounds via Platinum-Catalyzed [4 + 2]-Cycloadditions and Annulations of Enynals with Allylic Alcohols","Journal of the American Chemical Society","2009","131","","2090","2091","10.1021/ja809560c","","","0.71073","MoKα","","0.3033","0.0771","","","0.1922","0.3393","","","","","","0.915","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103934","6.1427","0.0002","12.2134","0.0006","27.1155","0.0011","90","","90","","90","","2034.29","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C96 H128 O12 -","4","1","","Yu-Chia Hsu; Chun-Ming Ting; Rai-Shung Liu","Stereocontrolled Synthesis of Complicated Oxacyclic Compounds via Platinum-Catalyzed [4 + 2]-Cycloadditions and Annulations of Enynals with Allylic Alcohols","Journal of the American Chemical Society","2009","131","","2090","2091","10.1021/ja809560c","","","0.71073","MoKα","","0.1023","0.0876","","","0.2395","0.2544","","","","","","1.045","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103935","7.69821","0.00019","5.8403","0.00015","24.5825","0.0006","90","","96.3116","0.0013","90","","1098.53","0.05","296.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O -","- C14 H11 N O -","- C56 H44 N4 O4 -","4","1","","Shinji Yamada; Yoko Tokugawa","Cation-π Controlled Solid-State Photodimerization of 4-Azachalcones","Journal of the American Chemical Society","2009","131","","2098","2099","10.1021/ja809906c","","","1.54187","CuKα","","","0.043","","","","0.1038","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103936","22.3925","0.0007","6.04763","0.00018","18.9197","0.0006","90","","94.0378","0.0016","90","","2555.78","0.14","296.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cl N O2 -","- C14 H12 Cl N O1.5 -","- C112 H96 Cl8 N8 O12 -","8","1","","Shinji Yamada; Yoko Tokugawa","Cation-π Controlled Solid-State Photodimerization of 4-Azachalcones","Journal of the American Chemical Society","2009","131","","2098","2099","10.1021/ja809906c","","","1.54187","CuKα","","","0.0459","","","","0.1405","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103937","3.85739","0.0001","17.2367","0.0004","19.274","0.0005","112.901","0.0015","95.7517","0.0018","96.409","0.0018","1158.58","0.05","123.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","2","","Shinji Yamada; Yoko Tokugawa","Cation-π Controlled Solid-State Photodimerization of 4-Azachalcones","Journal of the American Chemical Society","2009","131","","2098","2099","10.1021/ja809906c","","","1.54187","CuKα","","","0.0601","","","","0.1743","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103938","7.1308","0.0003","14.4771","0.0006","13.2057","0.0005","90","","101.889","0.002","90","","1334.02","0.09","298.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl N O2 -","- C15 H14 Cl N O2 -","- C60 H56 Cl4 N4 O8 -","4","1","","Shinji Yamada; Yoko Tokugawa","Cation-π Controlled Solid-State Photodimerization of 4-Azachalcones","Journal of the American Chemical Society","2009","131","","2098","2099","10.1021/ja809906c","","","1.54187","CuKα","","","0.0609","","","","0.191","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103939","6.82677","0.00016","10.9063","0.0002","14.7427","0.0003","90","","97.9763","0.0014","90","","1087.05","0.04","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C56 H44 N4 O4 -","2","1","","Shinji Yamada; Yoko Tokugawa","Cation-π Controlled Solid-State Photodimerization of 4-Azachalcones","Journal of the American Chemical Society","2009","131","","2098","2099","10.1021/ja809906c","","","1.54187","CuKα","","","0.0378","","","","0.1185","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103940","9.0768","0.0002","11.4769","0.0003","13.8031","0.0003","111.847","0.0013","110.515","0.0012","92.9062","0.0012","1222.58","0.05","298.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C30 H26 N2 O4 -","- C30 H26 N2 O4 -","- C60 H52 N4 O8 -","2","2","","Shinji Yamada; Yoko Tokugawa","Cation-π Controlled Solid-State Photodimerization of 4-Azachalcones","Journal of the American Chemical Society","2009","131","","2098","2099","10.1021/ja809906c","","","1.54187","CuKα","","","0.0419","","","","0.1311","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103941","18.7195","0.0001","8.7594","0.0001","18.3245","0.0001","90","","100.125","0.001","90","","2957.9","0.04","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H14 Br N O -","- C18 H14 Br N O -","- C144 H112 Br8 N8 O8 -","8","2","","José Barluenga; Eva Tudela; Alfredo Ballesteros; Miguel Tomás","Asymmetric C2-C3 Cyclopentannulation of the Indole Ring","Journal of the American Chemical Society","2009","131","","2096","2097","10.1021/ja809919t","","","1.54184","CuKα","","0.0252","0.0225","","","0.0549","0.0677","","","","","","1.154","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103942","7.2867","0.0001","10.3536","0.0002","19.1306","0.0003","90","","90","","90","","1443.28","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 I N O -","- C14 H24 I N O -","- C56 H96 I4 N4 O4 -","4","1","","José Barluenga; Eva Tudela; Alfredo Ballesteros; Miguel Tomás","Asymmetric C2-C3 Cyclopentannulation of the Indole Ring","Journal of the American Chemical Society","2009","131","","2096","2097","10.1021/ja809919t","","","1.54184","CuKα","","0.0364","0.0348","","","0.0967","0.113","","","","","","1.148","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103943","7.5357","0.0002","13.7783","0.0006","28.0807","0.0008","90","","90","","90","","2915.59","0.17","293","2","293","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- Bi Cs5 P4 Se12 -","- Bi Cs5 P4 Se12 -","- Bi4 Cs20 P16 Se48 -","4","1","","In Chung; Jung-Hwan Song; Joon I. Jang; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis","Flexible Polar Nanowires of Cs5BiP4Se12 from Weak Interactions between Coordination Complexes: Strong Nonlinear Optical Second Harmonic Generation","Journal of the American Chemical Society","2009","131","","2647","2656","10.1021/ja808242g","","","0.71073","MoKα","","0.079","0.0626","","","0.1151","0.1207","","","","","","1.077","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103944","18.7736","0.0013","10.6759","0.0007","26.9091","0.0019","90","","109.621","0.001","90","","5080.1","0.6","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Fe O4 Si2 -","- C24 H34 Fe O4 Si2 -","- C192 H272 Fe8 O32 Si16 -","8","1","","Charles P. Casey; Hairong Guan","Cyclopentadienone Iron Alcohol Complexes: Synthesis, Reactivity, and Implications for the Mechanism of Iron-Catalyzed Hydrogenation of Aldehydes","Journal of the American Chemical Society","2009","131","","2499","2507","10.1021/ja808683z","","","0.71073","Mo-Kα","","0.0387","0.0308","","","0.0804","0.0857","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103945","17.7905","0.001","17.7905","0.001","15.6247","0.0017","90","","90","","120","","4282.7","0.6","155","2","155","2","","","","","","","","5","P -3","-P 3","147","","","","- C26 H48 La N Si2 -","- C26 H48 La N Si2 -","- C156 H288 La6 N6 Si12 -","6","1","","William J. Evans; Thomas J. Mueller; Joseph W. Ziller","Reactivity of (C5Me5)3LaLx Complexes: Synthesis of a Tris(pentamethylcyclopentadienyl) Complex with Two Additional Ligands, (C5Me5)3La(NCCMe3)2","Journal of the American Chemical Society","2009","131","","2678","2686","10.1021/ja808763y","","","0.71073","MoKα","","0.034","0.0289","","","0.0718","0.0763","","","","","","1.098","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103946","13.4632","0.0017","41.393","0.005","14.2084","0.0017","90","","96.432","0.002","90","","7868.2","1.7","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H96 B La O2 P2 -","- C94 H88 B La O2 P2 -","- C376 H352 B4 La4 O8 P8 -","4","0.5","","William J. Evans; Thomas J. Mueller; Joseph W. Ziller","Reactivity of (C5Me5)3LaLx Complexes: Synthesis of a Tris(pentamethylcyclopentadienyl) Complex with Two Additional Ligands, (C5Me5)3La(NCCMe3)2","Journal of the American Chemical Society","2009","131","","2678","2686","10.1021/ja808763y","","","0.71073","MoKα","","0.0644","0.0405","","","0.0866","0.0968","","","","","","1.048","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103947","19.1633","0.0006","17.5365","0.0005","12.9886","0.0004","90","","101.86","0.001","90","","4271.7","0.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H69 La N2 -","- C46 H69 La N2 -","- C184 H276 La4 N8 -","4","1","","William J. Evans; Thomas J. Mueller; Joseph W. Ziller","Reactivity of (C5Me5)3LaLx Complexes: Synthesis of a Tris(pentamethylcyclopentadienyl) Complex with Two Additional Ligands, (C5Me5)3La(NCCMe3)2","Journal of the American Chemical Society","2009","131","","2678","2686","10.1021/ja808763y","","","0.71073","MoKα","","0.0257","0.02","","","0.0484","0.0527","","","","","","1.072","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103948","9.9376","0.0006","11.339","0.0007","14.4297","0.0009","74.182","0.001","83.38","0.001","70.704","0.001","1475.95","0.16","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H45 La S2 -","- C31 H45 La S2 -","- C62 H90 La2 S4 -","2","1","","William J. Evans; Thomas J. Mueller; Joseph W. Ziller","Reactivity of (C5Me5)3LaLx Complexes: Synthesis of a Tris(pentamethylcyclopentadienyl) Complex with Two Additional Ligands, (C5Me5)3La(NCCMe3)2","Journal of the American Chemical Society","2009","131","","2678","2686","10.1021/ja808763y","","","0.71073","MoKα","","0.0328","0.0298","","","0.0739","0.0756","","","","","","1.045","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103949","13.2291","0.0008","14.6728","0.0009","15.5581","0.001","76.555","0.001","76.062","0.001","63.486","0.001","2595.5","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H83 La N6 -","- C57 H83 La N6 -","- C114 H166 La2 N12 -","2","1","","William J. Evans; Thomas J. Mueller; Joseph W. Ziller","Reactivity of (C5Me5)3LaLx Complexes: Synthesis of a Tris(pentamethylcyclopentadienyl) Complex with Two Additional Ligands, (C5Me5)3La(NCCMe3)2","Journal of the American Chemical Society","2009","131","","2678","2686","10.1021/ja808763y","","","0.71073","MoKα","","0.039","0.0315","","","0.0794","0.0843","","","","","","1.044","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103950","12.0956","0.0019","12.0752","0.0019","31.142","0.005","90","","91.606","0.002","90","","4546.7","1.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H60 La O P S2 -","- C49 H60 La O P S2 -","- C196 H240 La4 O4 P4 S8 -","4","1","","William J. Evans; Thomas J. Mueller; Joseph W. Ziller","Reactivity of (C5Me5)3LaLx Complexes: Synthesis of a Tris(pentamethylcyclopentadienyl) Complex with Two Additional Ligands, (C5Me5)3La(NCCMe3)2","Journal of the American Chemical Society","2009","131","","2678","2686","10.1021/ja808763y","","","0.71073","MoKα","","0.0684","0.0503","","","0.1167","0.1243","","","","","","1.049","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103951","50.3695","0.0007","50.3695","0.0007","48.0517","0.0006","90","","90","","90","","121911","3","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C296 H362 N24 Na20 O162 S16 -","- C290 H204 N24 Na20 O114.4 S16 -","- C2320 H1632 N192 Na160 O915.2 S128 -","8","0.5","","Rita De Zorzi; Nicol Guidolin; Lucio Randaccio; Roberto Purrello; Silvano Geremia","Nanoporous Crystals of Calixarene/Porphyrin Supramolecular Complex Functionalized by Diffusion and Coordination of Metal Ions","Journal of the American Chemical Society","2009","131","","2487","2489","10.1021/ja808850d","","","1","","","0.1379","0.1173","","","0.3237","0.3567","","","","","","1.001","","","","has coordinates,has disorder","289031","2024-01-11","08:35:40",""
"4103952","49.14","0.0007","49.14","0.0007","49.8","0.0006","90","","90","","90","","120254","3","100","2","100","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C276 H354 Cl4 N24 Na16 O168 S16 Zn4 -","- C276 H204 Cl4 N24 Na16 O112 S16 Zn4 -","- C2208 H1632 Cl32 N192 Na128 O896 S128 Zn32 -","8","0.5","","Rita De Zorzi; Nicol Guidolin; Lucio Randaccio; Roberto Purrello; Silvano Geremia","Nanoporous Crystals of Calixarene/Porphyrin Supramolecular Complex Functionalized by Diffusion and Coordination of Metal Ions","Journal of the American Chemical Society","2009","131","","2487","2489","10.1021/ja808850d","","","1","","","0.1214","0.0985","","","0.2575","0.2825","","","","","","0.996","","","","has coordinates","289031","2024-01-11","08:35:45",""
"4103953","49.646","0.014","49.646","0.014","50.592","0.006","90","","90","","90","","124695","5","100","2","100","2","","","","","","","","7","I 41/a m d :2","-I 4bd 2","141","","","","- C69 H62 N6 Na3 Ni O28.75 S4 -","- C69 N6 Na3 Ni O25 S4 -","- C2208 N192 Na96 Ni32 O800 S128 -","32","1","","Rita De Zorzi; Nicol Guidolin; Lucio Randaccio; Roberto Purrello; Silvano Geremia","Nanoporous Crystals of Calixarene/Porphyrin Supramolecular Complex Functionalized by Diffusion and Coordination of Metal Ions","Journal of the American Chemical Society","2009","131","","2487","2489","10.1021/ja808850d","","","1","","","0.2453","0.218","","","0.4991","0.5358","","","","","","1.916","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103954","9.67","0.0002","8.9639","0.0002","16.6568","0.0003","90","","90","","90","","1443.83","0.05","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","Aaron R. Thornton; Véronique I. Martin; Simon B. Blakey","π-Nucleophile Traps for Metallonitrene/Alkyne Cascade Reactions: A Versatile Process for the Synthesis of α-Aminocyclopropanes and β-Aminostyrenes","Journal of the American Chemical Society","2009","131","","2434","2435","10.1021/ja809078d","","","0.71073","MoKα","","0.0373","0.0346","","","0.0871","0.0895","","","","","","1.004","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103955","7.3266","0.0003","25.3593","0.0012","8.0363","0.0004","90","","106.307","0.003","90","","1433.06","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","Aaron R. Thornton; Véronique I. Martin; Simon B. Blakey","π-Nucleophile Traps for Metallonitrene/Alkyne Cascade Reactions: A Versatile Process for the Synthesis of α-Aminocyclopropanes and β-Aminostyrenes","Journal of the American Chemical Society","2009","131","","2434","2435","10.1021/ja809078d","","","1.54178","CuKα","","0.04","0.0345","","","0.1101","0.1145","","","","","","1.068","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103956","8.3469","0.0004","14.3509","0.0007","10.0116","0.0005","90","","90.293","0.001","90","","1199.23","0.1","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Rockford W. Coscia; Tristan H. Lambert","Development of a Formal [4 + 1] Cycloaddition: Pd(OAc)2-Catalyzed Intramolecular Cyclopropanation of 1,3-Dienyl β-Keto Esters and MgI2-Promoted Vinylcyclopropane-Cyclopentene Rearrangement","Journal of the American Chemical Society","2009","131","","2496","2498","10.1021/ja809226x","","","0.71073","MoKα","","0.0395","0.0361","","","0.1035","0.107","","","","","","1.042","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103957","11.783","0.004","13.808","0.005","14.15","0.005","61.399","0.008","73.84","0.008","76.439","0.007","1927.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H96 Cl8 Fe2 N10 O2 -","- C76 H96 Cl8 Fe2 N10 O2 -","- C76 H96 Cl8 Fe2 N10 O2 -","1","0.5","","Nan Xu; Adam L. O. Campbell; Douglas R. Powell; Jana Khandogin; George B. Richter-Addo","A Stable Hyponitrite-Bridged Iron Porphyrin Complex","Journal of the American Chemical Society","2009","131","","2460","2461","10.1021/ja809781r","","","0.71073","MoKα","","0.0504","0.0403","","","0.1056","0.1114","","","","","","1.013","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103958","30.984","0.0002","30.984","0.0002","30.984","0.0002","90","","90","","90","","29744.9","0.3","296","2","296","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C20 H16 In2 Mg N8 O22 -","- C20 H4 In2 Mg N8 O22 -","- C480 H96 In48 Mg24 N192 O528 -","24","0.25","","Farid Nouar; Juergen Eckert; Jarrod F. Eubank; Paul Forster; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) as Hydrogen Storage Platform: Lithium and Magnesium Ion-Exchange and H2-(rho-ZMOF) Interaction Studies","Journal of the American Chemical Society","2009","131","","2864","2870","10.1021/ja807229a","","","0.7749","Synchrotronx-ray","","0.0622","0.0543","","","0.1846","0.1944","","","","","","1.097","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103959","9.6382","0.0007","9.6449","0.0007","10.922","0.0007","103.46","0.001","100.068","0.001","93.397","0.001","966.9","0.12","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H59 N5 O10 -","- C34 H53 N5 O8 -","- C34 H53 N5 O8 -","1","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0437","0.0429","","","0.1131","0.1141","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103960","8.5572","0.001","27.653","0.003","36.266","0.004","90","","90","","90","","8581.7","1.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 N6 O9 -","- C40 H62 N6 O9 -","- C320 H496 N48 O72 -","8","2","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0851","0.0559","","","0.1127","0.1228","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103961","21.942","0.002","25.008","0.003","10.216","0.0011","90","","90","","90","","5605.8","1","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C49 H74 Br Cl3 N8 O11 -","- C49 H74 Br Cl3 N8 O11 -","- C196 H296 Br4 Cl12 N32 O44 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0771","0.0705","","","0.2071","0.2144","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103962","10.394","0.0007","33.58","0.002","21.7313","0.0015","90","","91.667","0.001","90","","7581.7","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C63 H96 Br Cl6 N11 O14 -","- C60.997 H93.994 Br N11 O14 -","- C243.988 H375.976 Br4 N44 O56 -","4","2","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.1003","0.0883","","","0.2418","0.2515","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103963","18.5023","0.001","18.5023","0.001","32.418","0.004","90","","90","","120","","9611","1.4","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C49 H67 Br N6 O9 -","- C49 H67 Br N6 O9 -","- C294 H402 Br6 N36 O54 -","6","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0853","0.0782","","","0.2047","0.2105","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103964","17.5704","0.0013","19.5584","0.0014","26.6849","0.0019","90","","90","","90","","9170.2","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44.5 H68 N6 O9.5 -","- C44.5 H68 N6 O9.5 -","- C356 H544 N48 O76 -","8","2","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","MoKα","","0.0865","0.0541","","","0.1262","0.1435","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103965","12.226","0.003","10.535","0.003","20.547","0.005","90","","96.332","0.004","90","","2630.3","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H77.5 Br N7 O10.75 -","- C47 H70 Br N7 O10 -","- C94 H140 Br2 N14 O20 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.1015","0.0709","","","0.1715","0.1863","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103966","10.3917","0.0003","19.5378","0.0005","17.2657","0.0004","90","","96.8006","0.0004","90","","3480.81","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H103 Br N10 O14 -","- C66 H103 Br N10 O14 -","- C132 H206 Br2 N20 O28 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0368","0.0352","","","0.0943","0.096","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103967","11.2597","0.0016","18.861","0.003","18.883","0.003","90","","92.079","0.002","90","","4007.5","1.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C65.19 H97.19 Br Cl6.57 N10 O13 -","- C65.19 H97.19 Br Cl6.57 N10 O13 -","- C130.38 H194.38 Br2 Cl13.14 N20 O26 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0799","0.076","","","0.2117","0.2173","","","","","","1.124","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103968","18.2435","0.0011","10.1114","0.0006","21.7817","0.0014","90","","112.287","0.001","90","","3717.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H109 Br N10 O16 -","- C67 H109 Br N10 O16 -","- C134 H218 Br2 N20 O32 -","2","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0493","0.0462","","","0.1319","0.1346","","","","","","1.007","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103969","14.3116","0.0016","14.3116","0.0016","13.612","0.002","90","","90","","120","","2414.5","0.5","183","2","183","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C48 H66 Ca2 O6 -","- C48 H66 Ca2 O6 -","- C96 H132 Ca4 O12 -","2","0.166667","","Sven Krieck; Helmar Görls; Lian Yu; Markus Reiher; Matthias Westerhausen","Stable ""Inverse"" Sandwich Complex with Unprecedented Organocalcium(I): Crystal Structures of [(thf)2Mg(Br)-C6H2-2,4,6-Ph3] and [(thf)3Ca{μ-C6H3-1,3,5-Ph3}Ca(thf)3]","Journal of the American Chemical Society","2009","131","","2977","2985","10.1021/ja808524y","","","0.71073","MoKα","","0.1435","0.1057","","","0.2877","0.3328","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103970","8.7189","0.0002","20.6162","0.0005","30.8439","0.0006","90","","90","","90","","5544.2","0.2","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H33 Br Mg O2 -","- C32 H33 Br Mg O2 -","- C256 H264 Br8 Mg8 O16 -","8","1","","Sven Krieck; Helmar Görls; Lian Yu; Markus Reiher; Matthias Westerhausen","Stable ""Inverse"" Sandwich Complex with Unprecedented Organocalcium(I): Crystal Structures of [(thf)2Mg(Br)-C6H2-2,4,6-Ph3] and [(thf)3Ca{μ-C6H3-1,3,5-Ph3}Ca(thf)3]","Journal of the American Chemical Society","2009","131","","2977","2985","10.1021/ja808524y","","","0.71073","MoKα","","0.096","0.0456","","","0.0859","0.1014","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103971","11.285","0.002","10.405","0.003","13.546","0.002","90","","96.39","0.01","90","","1580.7","0.6","296.2","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 -","- C22 H22 -","- C88 H88 -","4","1","","Yoshikazu Horino; Takuya Yamamoto; Kohki Ueda; Shigeyasu Kuroda; F. Dean Toste","Au(I)-Catalyzed Cycloisomerizations Terminated by sp3 C-H Bond Insertion","Journal of the American Chemical Society","2009","131","","2809","2811","10.1021/ja808780r","","","0.7107","MoKα","","","0.0533","","","","0.1276","","","","","","1.398","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103972","25.078","0.003","7.7656","0.0012","11.962","0.002","90","","90","","90","","2329.5","0.6","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H20 Cl O2 P -","- C10 H20 Cl O2 P -","- C80 H160 Cl8 O16 P8 -","8","2","","Monica Carreira; Manutsavin Charernsuk; Michael Eberhard; Natalie Fey; Roel van Ginkel; Alex Hamilton; Wilhelmus P. Mul; A. Guy Orpen; Hirihataya Phetmung; Paul G. Pringle","Anatomy of Phobanes. Diastereoselective Synthesis of the Three Isomers of n-Butylphobane and a Comparison of their Donor Properties","Journal of the American Chemical Society","2009","131","","3078","3092","10.1021/ja808807s","","","0.71073","MoKα","","0.0542","0.0464","","","0.1065","0.1128","","","","","","1.05","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103973","7.7585","0.0016","7.8401","0.0016","11.023","0.002","96.88","0.03","102.46","0.03","97.12","0.03","642.2","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 Cl2 P2 Pt -","- C24 H46 Cl2 P2 Pt1.0001 -","- C24 H46 Cl2 P2 Pt1.0001 -","1","0.5","","Monica Carreira; Manutsavin Charernsuk; Michael Eberhard; Natalie Fey; Roel van Ginkel; Alex Hamilton; Wilhelmus P. Mul; A. Guy Orpen; Hirihataya Phetmung; Paul G. Pringle","Anatomy of Phobanes. Diastereoselective Synthesis of the Three Isomers of n-Butylphobane and a Comparison of their Donor Properties","Journal of the American Chemical Society","2009","131","","3078","3092","10.1021/ja808807s","","x-ray","0.71074","MoKα","","0.0148","0.0148","","","0.0367","0.0367","","","","","","1.088","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103974","19.0791","0.001","8.1201","0.0003","19.1417","0.001","90","","116.866","0.002","90","","2645.4","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 Cl2 P2 Pt -","- C24 H46 Cl2 P2 Pt -","- C96 H184 Cl8 P8 Pt4 -","4","1","","Monica Carreira; Manutsavin Charernsuk; Michael Eberhard; Natalie Fey; Roel van Ginkel; Alex Hamilton; Wilhelmus P. Mul; A. Guy Orpen; Hirihataya Phetmung; Paul G. Pringle","Anatomy of Phobanes. Diastereoselective Synthesis of the Three Isomers of n-Butylphobane and a Comparison of their Donor Properties","Journal of the American Chemical Society","2009","131","","3078","3092","10.1021/ja808807s","","","0.71073","MoKα","","0.1064","0.0683","","","0.1203","0.1386","","","","","","1.131","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103975","11.2515","0.0006","14.1812","0.0004","14.6186","0.0005","82.687","0.026","70.963","0.035","76.951","0.034","2144.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl2 O2 P2 Pt -","- C18 H31 Cl2 O2 P2 Pt -","- C72 H124 Cl8 O8 P8 Pt4 -","4","2","","Monica Carreira; Manutsavin Charernsuk; Michael Eberhard; Natalie Fey; Roel van Ginkel; Alex Hamilton; Wilhelmus P. Mul; A. Guy Orpen; Hirihataya Phetmung; Paul G. Pringle","Anatomy of Phobanes. Diastereoselective Synthesis of the Three Isomers of n-Butylphobane and a Comparison of their Donor Properties","Journal of the American Chemical Society","2009","131","","3078","3092","10.1021/ja808807s","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103976","15.511","0.002","11.7916","0.0016","11.173","0.0009","90","","97.031","0.009","90","","2028.2","0.4","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","1","","Gilles Lemière; Vincent Gandon; Kevin Cariou; Alexandra Hours; Takahide Fukuyama; Anne-Lise Dhimane; Louis Fensterbank; Max Malacria","Generation and Trapping of Cyclopentenylidene Gold Species: Four Pathways to Polycyclic Compounds","Journal of the American Chemical Society","2009","131","","2993","3006","10.1021/ja808872u","","","0.71073","MoKα","","0.1408","0.057","","","0.1444","0.1837","","","","","","1.016","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103977","7.2997","0.0009","11.4574","0.0018","13.348","0.002","107.252","0.011","92.656","0.011","99.208","0.012","1047.2","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H36 O2 Si -","- C20 H36 O2 Si -","- C40 H72 O4 Si2 -","2","1","","Gilles Lemière; Vincent Gandon; Kevin Cariou; Alexandra Hours; Takahide Fukuyama; Anne-Lise Dhimane; Louis Fensterbank; Max Malacria","Generation and Trapping of Cyclopentenylidene Gold Species: Four Pathways to Polycyclic Compounds","Journal of the American Chemical Society","2009","131","","2993","3006","10.1021/ja808872u","","","","","","","","","","","","","","","","","","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103978","11.2235","0.0019","7.0509","0.0004","22.37","0.003","90","","91.015","0.012","90","","1770","0.4","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Gilles Lemière; Vincent Gandon; Kevin Cariou; Alexandra Hours; Takahide Fukuyama; Anne-Lise Dhimane; Louis Fensterbank; Max Malacria","Generation and Trapping of Cyclopentenylidene Gold Species: Four Pathways to Polycyclic Compounds","Journal of the American Chemical Society","2009","131","","2993","3006","10.1021/ja808872u","","","","","","","","","","","","","","","","","","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103979","14.028","0.003","14.204","0.003","18.556","0.004","90","","90","","90","","3697.4","1.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","08045m","","","- C12 H24 Cu F3 N4 O3 S -","- C12 H24 Cu F3 N4 O3 S -","- C96 H192 Cu8 F24 N32 O24 S8 -","8","1","","Itsik Bar-Nahum; Aalo K. Gupta; Stefan M. Huber; Mehmed Z. Ertem; Christopher J. Cramer; William B. Tolman","Reduction of Nitrous Oxide to Dinitrogen by a Mixed Valent Tricopper-Disulfido Cluster","Journal of the American Chemical Society","2009","131","","2812","2814","10.1021/ja808917k","","","0.71073","MoKα","","0.0754","0.0386","","","0.082","0.1003","","","","","","1.091","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103980","8.696","0.002","8.497","0.002","22.674","0.006","90","","92.565","0.004","90","","1673.7","0.7","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","08036","","","- C20 H42 Cu2 F6 N6 O6 S4 -","- C20 H42 Cu2 F6 N6 O6 S4 -","- C40 H84 Cu4 F12 N12 O12 S8 -","2","0.5","","Itsik Bar-Nahum; Aalo K. Gupta; Stefan M. Huber; Mehmed Z. Ertem; Christopher J. Cramer; William B. Tolman","Reduction of Nitrous Oxide to Dinitrogen by a Mixed Valent Tricopper-Disulfido Cluster","Journal of the American Chemical Society","2009","131","","2812","2814","10.1021/ja808917k","","","0.71073","MoKα","","0.085","0.0623","","","0.127","0.1361","","","","","","1.008","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103981","23.7547","0.0009","12.9647","0.0005","29.9129","0.0011","90","","96.992","0.001","90","","9143.8","0.6","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","08016","","","- C29 H63 Cu3 F6 N9 O6 S4 -","- C29 H63 Cu3 F6 N9 O6 S4 -","- C232 H504 Cu24 F48 N72 O48 S32 -","8","1","","Itsik Bar-Nahum; Aalo K. Gupta; Stefan M. Huber; Mehmed Z. Ertem; Christopher J. Cramer; William B. Tolman","Reduction of Nitrous Oxide to Dinitrogen by a Mixed Valent Tricopper-Disulfido Cluster","Journal of the American Chemical Society","2009","131","","2812","2814","10.1021/ja808917k","","","0.71073","MoKα","","0.0571","0.0353","","","0.0768","0.0884","","","","","","1.04","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103982","18.623","0.003","36.669","0.006","26.997","0.005","90","","107.203","0.002","90","","17611","5","80","2","80","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H224 N46 Ni2 O74 Pd6 -","- C114 H156 N46 Ni2 O74 Pd6 -","- C456 H624 N184 Ni8 O296 Pd24 -","4","1","","Kosuke Ono; Michito Yoshizawa; Munetaka Akita; Tatsuhisa Kato; Yoshihide Tsunobuchi; Shin-ichi Ohkoshi; Makoto Fujita","Spin Crossover by Encapsulation","Journal of the American Chemical Society","2009","131","","2782","2783","10.1021/ja8089894","","","0.71073","MoKα","","0.0897","0.0505","","","0.1259","0.1475","","","","","","1.033","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103983","10.8568","0.0014","18.625","0.003","40.746","0.018","90","","90","","90","","8239","4","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C5 H9 Au N2 Sn -","- C5 H9 Au N2 Sn -","- C160 H288 Au32 N64 Sn32 -","32","2","","Andrea Deák; Tünde Tunyogi; Gábor Pálinkás","Synthesis and Structure of a Cyanoaurate-Based Organotin Polymer Exhibiting Unusual Ion-Exchange Properties","Journal of the American Chemical Society","2009","131","","2815","2817","10.1021/ja809067t","","","0.71073","MoKα","","0.0501","0.045","","","0.0922","0.0951","","","","","","1.179","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103984","18.206","0.014","11.118","0.008","6.579","0.004","90","","111.09","0.03","90","","1242.5","1.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Au2 N4 Sn -","- C6 H6 Au2 N4 Sn -","- C24 H24 Au8 N16 Sn4 -","4","0.5","","Andrea Deák; Tünde Tunyogi; Gábor Pálinkás","Synthesis and Structure of a Cyanoaurate-Based Organotin Polymer Exhibiting Unusual Ion-Exchange Properties","Journal of the American Chemical Society","2009","131","","2815","2817","10.1021/ja809067t","","","0.7107","MoKα","","0.0393","0.0353","","","0.0796","0.0817","","","","","","1.053","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103985","10.221","0.003","16.359","0.005","13.852","0.004","90","","105.126","0.008","90","","2235.9","1.1","113.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Cu F6 N3 P -","- C21 H28 Cu F6 N3 P -","- C84 H112 Cu4 F24 N12 P4 -","4","1","","Atsushi Kunishita; Minoru Kubo; Hideki Sugimoto; Takashi Ogura; Kazunobu Sato; Takeji Takui; Shinobu Itoh","Mononuclear Copper(II)-Superoxo Complexes that Mimic the Structure and Reactivity of the Active Centers of PHM and DβM","Journal of the American Chemical Society","2009","131","","2788","2789","10.1021/ja809464e","","","0.7107","MoKα","","","0.0671","","","","0.108","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103986","25.807","0.003","7.3456","0.0005","29.453","0.003","90","","111.978","0.004","90","","5177.6","0.9","113.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 Cu F6 N4 O2.5 P -","- C23 H32 Cu F6 N4 O2.5 P -","- C184 H256 Cu8 F48 N32 O20 P8 -","8","1","","Atsushi Kunishita; Minoru Kubo; Hideki Sugimoto; Takashi Ogura; Kazunobu Sato; Takeji Takui; Shinobu Itoh","Mononuclear Copper(II)-Superoxo Complexes that Mimic the Structure and Reactivity of the Active Centers of PHM and DβM","Journal of the American Chemical Society","2009","131","","2788","2789","10.1021/ja809464e","","","0.7107","MoKα","","","0.0684","","","","0.0747","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103987","10.163","0.014","17.316","0.016","14.633","0.015","90","","110.49","0.04","90","","2412","5","153.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Cu F6 N3 O P -","- C22 H31 Cu F6 N3 O P -","- C88 H124 Cu4 F24 N12 O4 P4 -","4","1","","Atsushi Kunishita; Minoru Kubo; Hideki Sugimoto; Takashi Ogura; Kazunobu Sato; Takeji Takui; Shinobu Itoh","Mononuclear Copper(II)-Superoxo Complexes that Mimic the Structure and Reactivity of the Active Centers of PHM and DβM","Journal of the American Chemical Society","2009","131","","2788","2789","10.1021/ja809464e","","","0.71075","MoKα","","","0.0496","","","","0.0519","","","","","","0.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103988","9.235","0.008","11.661","0.012","12.165","0.009","84.78","0.03","71.72","0.03","78.39","0.03","1217.9","1.9","153.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C21 H28 Cl Cu F6 N4 O2 P -","- C21 H26 Cl Cu F6 N4 O2 P -","- C42 H52 Cl2 Cu2 F12 N8 O4 P2 -","2","1","","Atsushi Kunishita; Minoru Kubo; Hideki Sugimoto; Takashi Ogura; Kazunobu Sato; Takeji Takui; Shinobu Itoh","Mononuclear Copper(II)-Superoxo Complexes that Mimic the Structure and Reactivity of the Active Centers of PHM and DβM","Journal of the American Chemical Society","2009","131","","2788","2789","10.1021/ja809464e","","","0.71075","MoKα","","","0.0428","","","","0.0567","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103989","10.327","0.009","10.895","0.011","12.985","0.011","84.88","0.03","73.51","0.03","71.53","0.03","1329","2","153.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C24 H32 Cl Cu F6 N4 O4 P -","- C23 H31 Cu F6 N4 O4 P -","- C46 H62 Cu2 F12 N8 O8 P2 -","2","1","","Atsushi Kunishita; Minoru Kubo; Hideki Sugimoto; Takashi Ogura; Kazunobu Sato; Takeji Takui; Shinobu Itoh","Mononuclear Copper(II)-Superoxo Complexes that Mimic the Structure and Reactivity of the Active Centers of PHM and DβM","Journal of the American Chemical Society","2009","131","","2788","2789","10.1021/ja809464e","","","0.71075","MoKα","","","0.0393","","","","0.0442","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103990","8.982","0.006","16.187","0.011","12.881","0.009","90","0.004","92.017","0.004","90","0.004","1872","2","113","2","113","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H18 N2 O -","- C26 H18 N2 O -","- C104 H72 N8 O4 -","4","1","","Takuya Kochi; Seiya Urano; Hajime Seki; Eiichiro Mizushima; Mitsuo Sato; Fumitoshi Kakiuchi","Ruthenium-Catalyzed Amino- and Alkoxycarbonylations with Carbamoyl Chlorides and Alkyl Chloroformates via Aromatic C-H Bond Cleavage","Journal of the American Chemical Society","2009","131","","2792","2793","10.1021/ja8097492","","","0.7107","MoKα","","0.0369","0.0344","","","0.0834","0.0853","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103991","15.626","0.002","5.4881","0.0007","19.506","0.003","90","","96.142","0.002","90","","1663.2","0.4","149","2","149","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H24 F6 -","- C46 H24 F6 -","- C92 H48 F12 -","2","0.5","","Zerubba U. Levi; T. Don Tilley","Versatile Synthesis of Pentalene Derivatives via the Pd-Catalyzed Homocoupling of Haloenynes","Journal of the American Chemical Society","2009","131","","2796","2797","10.1021/ja809930f","","","0.71073","MoKα","","0.083","0.0351","","","0.0517","0.0559","","","","","","0.692","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103992","21.051","0.002","19.381","0.002","9.0189","0.0009","90","","90","","90","","3679.6","0.6","150","2","150","2","","","","","","","","2","P b c n","-P 2n 2ab","60","tilley01","ZL141a","","- C50 H42 -","- C50 H42 -","- C200 H168 -","4","0.5","","Zerubba U. Levi; T. Don Tilley","Versatile Synthesis of Pentalene Derivatives via the Pd-Catalyzed Homocoupling of Haloenynes","Journal of the American Chemical Society","2009","131","","2796","2797","10.1021/ja809930f","","","0.7749","synchrotron","","0.0559","0.0456","","","0.1221","0.1311","","","","","","1.036","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4103993","14.4014","0.0001","15.7227","0.0001","21.6608","0.0002","93.2587","0.0003","100.404","0.0003","107.279","0.0004","4574.28","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","[K-(2,2,2-crypt)]3[Fe@Ge10]*2en","","- C58 H124 Fe Ge10 K3 N10 O18 -","- C58 H124.04 Fe Ge10 K3 N10 O18 -","- C116 H248.08 Fe2 Ge20 K6 N20 O36 -","2","1","","Binbin Zhou; Mark S. Denning; Deborah L. Kays; Jose M. Goicoechea","Synthesis and Isolation of [Fe@Ge10]3-: A Pentagonal Prismatic Zintl Ion Cage Encapsulating an Interstitial Iron Atom","Journal of the American Chemical Society","2009","131","","2802","2803","10.1021/ja900055j","","","0.71073","MoKα","","0.0572","0.0438","","","0.1188","0.1256","","","","","","1.047","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103994","9.8","0.003","9.819","0.003","21.005","0.008","79.398","0.011","80.237","0.011","79.763","0.012","1935.4","1.1","150","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 F3 N O2 -","- C24 H18 F3 N O2 -","- C96 H72 F12 N4 O8 -","4","2","","Itaru Nakamura; Toshiharu Araki; Masahiro Terada","Five-Bond Cleavage in Copper-Catalyzed Skeletal Rearrangement of O-Propargyl Arylaldoximes to β-Lactams","Journal of the American Chemical Society","2009","131","","2804","2805","10.1021/ja900133m","","","0.7107","MoKα","","","0.0932","","","","0.2926","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103995","26.181","0.008","17.048","0.006","14.967","0.005","90","","90.074","0.005","90","","6680","4","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H74 F6 Ir2 N4 O11 S4 -","- C64 H74 F6 Ir2 N4 O11 S4 -","- C256 H296 F24 Ir8 N16 O44 S16 -","4","1","","Zachariah M. Heiden; Thomas B. Rauchfuss","Proton-Assisted Activation of Dihydrogen: Mechanistic Aspects of Proton-Catalyzed Addition of H2 to Ru and Ir Amido Complexes","Journal of the American Chemical Society","2009","131","","3593","3600","10.1021/ja807277s","","","0.71073","MoKα","","0.0977","0.0624","","","0.1537","0.1653","","","","","","1.077","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103996","13.178","0.002","9.9503","0.0012","19.912","0.003","90","","101.548","0.013","90","","2558.1","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H37 Cu F6 N4 O2 P -","- C22 H37 Cu F6 N4 O2 P -","- C88 H148 Cu4 F24 N16 O8 P4 -","4","1","","Abid Khan; Gary Nicholson; John Greenman; Leigh Madden; Graeme McRobbie; Christophe Pannecouque; Erik De Clercq; Robert Ullom; Danny L. Maples; Randall D. Maples; Jon D. Silversides; Timothy J. Hubin; Stephen J. Archibald","Binding Optimization through Coordination Chemistry: CXCR4 Chemokine Receptor Antagonists from Ultrarigid Metal Complexes","Journal of the American Chemical Society","2009","131","","3416","3417","10.1021/ja807921k","","","0.71073","MoKα","","0.1239","0.0416","","","0.0633","0.0755","","","","","","0.736","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103997","14.716","0.0002","9.741","0.0001","20.998","0.0003","90","","90","","90","","3010.03","0.07","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H9 F3 I2 O -","- C14 H9 F3 I2 O -","- C112 H72 F24 I16 O8 -","8","2","","Shiro Matsukawa; Hideaki Yamamichi; Yohsuke Yamamoto; Kaori Ando","Pentacoordinate Organoantimony Compounds That Isomerize by Turnstile Rotation","Journal of the American Chemical Society","2009","131","","3418","3419","10.1021/ja808113q","","","0.71069","MoKα","","0.0452","0.0395","","","0.1193","0.1343","","","","","","1.171","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103998","8.865","0.0002","7.839","0.0001","28.107","0.0007","90","","94.973","0.001","90","","1945.88","0.07","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cl F3 O Sb -","- C22 H17 Cl F3 O Sb -","- C88 H68 Cl4 F12 O4 Sb4 -","4","1","","Shiro Matsukawa; Hideaki Yamamichi; Yohsuke Yamamoto; Kaori Ando","Pentacoordinate Organoantimony Compounds That Isomerize by Turnstile Rotation","Journal of the American Chemical Society","2009","131","","3418","3419","10.1021/ja808113q","","","0.71069","MoKα","","0.0474","0.0419","","","0.1134","0.1282","","","","","","1.121","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103999","8.418","0.0002","10.079","0.0002","14.748","0.0004","96.205","0.001","100.733","0.001","93.319","0.001","1218.3","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Cl F3 O Sb -","- C28 H21 Cl F3 O Sb -","- C56 H42 Cl2 F6 O2 Sb2 -","2","1","","Shiro Matsukawa; Hideaki Yamamichi; Yohsuke Yamamoto; Kaori Ando","Pentacoordinate Organoantimony Compounds That Isomerize by Turnstile Rotation","Journal of the American Chemical Society","2009","131","","3418","3419","10.1021/ja808113q","","","0.71069","MoKα","","0.0397","0.0384","","","0.1029","0.1038","","","","","","1.096","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4104000","11.965","0.0006","13.375","0.0007","16.849","0.0008","100.104","0.002","104.778","0.002","101.806","0.002","2477.1","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Cl F3 O Sb -","- C28 H21 Cl F3 O Sb -","- C112 H84 Cl4 F12 O4 Sb4 -","4","2","","Shiro Matsukawa; Hideaki Yamamichi; Yohsuke Yamamoto; Kaori Ando","Pentacoordinate Organoantimony Compounds That Isomerize by Turnstile Rotation","Journal of the American Chemical Society","2009","131","","3418","3419","10.1021/ja808113q","","","0.71069","MoKα","","0.1562","0.0811","","","0.2043","0.2409","","","","","","1.114","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104001","3.7551","0.0005","11.2066","0.0013","27.322","0.003","90","","92.947","0.007","90","","1148.2","0.2","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C56 H40 N8 O16 -","4","1","","David M. S. Martins; Derek S. Middlemiss; Colin R. Pulham; Chick C. Wilson; Mark T. Weller; Paul F. Henry; Norman Shankland; Kenneth Shankland; William G. Marshall; Richard M. Ibberson; Kevin Knight; Stephen Moggach; Michela Brunelli; Carole A. Morrison","Temperature- and Pressure-Induced Proton Transfer in the 1:1 Adduct Formed between Squaric Acid and 4,4'-Bipyridine","Journal of the American Chemical Society","2009","131","","3884","3893","10.1021/ja8082973","","","0.71073","MoKα","","0.0524","0.042","","0.113","0.1064","0.113","","","","","","1.0145","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4104002","3.7975","0.0001","11.1996","0.0003","27.4424","0.0007","90","","92.236","0.002","90","","1166.25","0.05","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C56 H40 N8 O16 -","4","1","","David M. S. Martins; Derek S. Middlemiss; Colin R. Pulham; Chick C. Wilson; Mark T. Weller; Paul F. Henry; Norman Shankland; Kenneth Shankland; William G. Marshall; Richard M. Ibberson; Kevin Knight; Stephen Moggach; Michela Brunelli; Carole A. Morrison","Temperature- and Pressure-Induced Proton Transfer in the 1:1 Adduct Formed between Squaric Acid and 4,4'-Bipyridine","Journal of the American Chemical Society","2009","131","","3884","3893","10.1021/ja8082973","","","0.71073","MoKα","","0.0501","0.0449","","0.1064","0.1035","0.1064","","","","","","1.0528","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4104003","12.359","0.008","11.287","0.007","9.061","0.006","90","","109.139","0.01","90","","1194.1","1.3","453","","453","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 N2 O4 -","- C14 H8 N2 O4 -","- C56 H32 N8 O16 -","4","0.5","","David M. S. Martins; Derek S. Middlemiss; Colin R. Pulham; Chick C. Wilson; Mark T. Weller; Paul F. Henry; Norman Shankland; Kenneth Shankland; William G. Marshall; Richard M. Ibberson; Kevin Knight; Stephen Moggach; Michela Brunelli; Carole A. Morrison","Temperature- and Pressure-Induced Proton Transfer in the 1:1 Adduct Formed between Squaric Acid and 4,4'-Bipyridine","Journal of the American Chemical Society","2009","131","","3884","3893","10.1021/ja8082973","","","0.71073","MoKα","","0.1031","0.0665","","0.1841","0.1671","0.1841","","","","","","1.0152","","","","has coordinates,has Fobs","178786","2020-10-21","18:00:00",""
"4104004","10.6478","0.0003","16.6197","0.0004","26.3441","0.0004","90","","90","","90","","4661.94","0.19","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Cl6 N2 P3 -","- C18 H15 Cl6 N2 P3 -","- C144 H120 Cl48 N16 P24 -","8","1","","Vivienne Blackstone; Alan J. Lough; Martin Murray; Ian Manners","Probing the Mechanism of the PCl5-Initiated Living Cationic Polymerization of the Phosphoranimine Cl3P=NSiMe3 using Model Compound Chemistry","Journal of the American Chemical Society","2009","131","","3658","3667","10.1021/ja808517d","","","0.71073","MoKα","","0.0888","0.0459","","","0.1015","0.1218","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104005","11.3728","0.0004","17.6718","0.0007","13.0181","0.0003","90","","107.735","0.002","90","","2492.01","0.15","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H32 Cl12 N3 P5 -","- C37 H32 Cl12 N3 P5 -","- C74 H64 Cl24 N6 P10 -","2","1","","Vivienne Blackstone; Alan J. Lough; Martin Murray; Ian Manners","Probing the Mechanism of the PCl5-Initiated Living Cationic Polymerization of the Phosphoranimine Cl3P=NSiMe3 using Model Compound Chemistry","Journal of the American Chemical Society","2009","131","","3658","3667","10.1021/ja808517d","","","0.71073","MoKα","","0.1052","0.0723","","","0.1921","0.2165","","","","","","1.036","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104006","18.0588","0.0003","7.7422","0.0001","29.3146","0.0004","90","","103.245","0.0009","90","","3989.59","0.1","150","1","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl8 N2 P4 -","- C36 H30 Cl8 N2 P4 -","- C144 H120 Cl32 N8 P16 -","4","1","","Vivienne Blackstone; Alan J. Lough; Martin Murray; Ian Manners","Probing the Mechanism of the PCl5-Initiated Living Cationic Polymerization of the Phosphoranimine Cl3P=NSiMe3 using Model Compound Chemistry","Journal of the American Chemical Society","2009","131","","3658","3667","10.1021/ja808517d","","","0.71073","MoKα","","0.0886","0.0424","","","0.099","0.117","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104007","27.423","","6.004","","20.005","","90","","109.79","","90","","3099.25","","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(RS)-tert-butyl 2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,3'-pyrrolidine] -1'-carboxylate","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C128 H160 N16 O32 -","8","1","","K. C. Nicolaou; Arkady Krasovskiy; Utpal Majumder; Vincent É. Trépanier; David Y.-K. Chen","New Synthetic Technologies for the Construction of Heterocycles and Tryptamines","Journal of the American Chemical Society","2009","131","","3690","3699","10.1021/ja808692j","","x-ray","0.7107","MoKα","","0.1604","0.1128","","","0.2364","0.3274","","","","","","0.941","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104008","9.91","0.0009","10.54","0.0005","17.14","0.0012","90","","106.04","0.004","90","","1720.6","0.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N2 O4 -","- C17 H22 N2 O4 -","- C68 H88 N8 O16 -","4","1","","K. C. Nicolaou; Arkady Krasovskiy; Utpal Majumder; Vincent É. Trépanier; David Y.-K. Chen","New Synthetic Technologies for the Construction of Heterocycles and Tryptamines","Journal of the American Chemical Society","2009","131","","3690","3699","10.1021/ja808692j","","x-ray","0.7107","MoKα","","0.1159","0.0743","","","0.1578","0.183","","","","","","0.998","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104009","9.331","0.002","16.104","0.003","10.041","0.002","90","","97.237","0.014","90","","1496.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","tert-butyl 4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-1-carboxylate","","- C15 H20 N2 O2 -","- C15 H20 N1.97 O2 -","- C60 H80 N7.88 O8 -","4","1","","K. C. Nicolaou; Arkady Krasovskiy; Utpal Majumder; Vincent É. Trépanier; David Y.-K. Chen","New Synthetic Technologies for the Construction of Heterocycles and Tryptamines","Journal of the American Chemical Society","2009","131","","3690","3699","10.1021/ja808692j","","x-ray","0.7107","MoKα","","0.1013","0.0969","","","0.2064","0.2114","","","","","","1.091","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104010","17.6524","0.0005","15.9364","0.0006","12.7876","0.0004","90","","117.878","0.002","90","","3179.86","0.19","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 Fe2 N10 O14 -","- C18 H32 Fe2 N10 O14 -","- C72 H128 Fe8 N40 O56 -","4","0.5","","Fu-Te Tsai; Ting-Shen Kuo; Wen-Feng Liaw","Dinitrosyl Iron Complexes (DNICs) Bearing O-Bound Nitrito Ligand: Reversible Transformation between the Six-Coordinate {Fe(NO)2}9[(1-MeIm)2(η2-ONO)Fe(NO)2] (g= 2.013) and Four-Coordinate {Fe(NO)2}9[(1-MeIm)(ONO)Fe(NO)2] (g= 2.03)","Journal of the American Chemical Society","2009","131","","3426","3427","10.1021/ja808743g","","","0.71073","MoKα","","0.0694","0.045","","","0.101","0.1127","","","","","","1.047","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104011","13.2996","0.0003","13.4256","0.0003","15.8455","0.0003","90","","97.951","0.001","90","","2802.1","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 Fe N7 O10 -","- C20 H36 Fe N7 O10 -","- C80 H144 Fe4 N28 O40 -","4","1","","Fu-Te Tsai; Ting-Shen Kuo; Wen-Feng Liaw","Dinitrosyl Iron Complexes (DNICs) Bearing O-Bound Nitrito Ligand: Reversible Transformation between the Six-Coordinate {Fe(NO)2}9[(1-MeIm)2(η2-ONO)Fe(NO)2] (g= 2.013) and Four-Coordinate {Fe(NO)2}9[(1-MeIm)(ONO)Fe(NO)2] (g= 2.03)","Journal of the American Chemical Society","2009","131","","3426","3427","10.1021/ja808743g","","","0.71073","MoKα","","0.0624","0.0493","","","0.1245","0.1343","","","","","","1.04","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104012","9.5191","0.0002","19.0746","0.0004","13.2434","0.0003","90","","92.521","0.001","90","","2402.32","0.09","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 Fe N4 O2 P -","- C22 H21 Fe N4 O2 P -","- C88 H84 Fe4 N16 O8 P4 -","4","1","","Fu-Te Tsai; Ting-Shen Kuo; Wen-Feng Liaw","Dinitrosyl Iron Complexes (DNICs) Bearing O-Bound Nitrito Ligand: Reversible Transformation between the Six-Coordinate {Fe(NO)2}9[(1-MeIm)2(η2-ONO)Fe(NO)2] (g= 2.013) and Four-Coordinate {Fe(NO)2}9[(1-MeIm)(ONO)Fe(NO)2] (g= 2.03)","Journal of the American Chemical Society","2009","131","","3426","3427","10.1021/ja808743g","","","0.71073","MoKα","","0.0617","0.0508","","","0.1418","0.1474","","","","","","1.13","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104013","13.8153","0.0005","26.2742","0.0007","14.8383","0.0006","90","","108.159","0.004","90","","5117.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C86 H126 Ag17 F3 O6 S -","- C86 H126 Ag17 F3 O6 S -","- C172 H252 Ag34 F6 O12 S2 -","2","0.5","","Shu-Dan Bian; Jian-Hua Jia; Quan-Ming Wang","High-Nuclearity Silver Clusters Templated by Carbonates Generated from Atmospheric Carbon Dioxide Fixation","Journal of the American Chemical Society","2009","131","","3422","3423","10.1021/ja8087696","","","0.71073","MoKα","","0.2079","0.0452","","","0.0648","0.0817","","","","","","0.682","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104014","21.7271","0.0004","15.8981","0.0002","34.0433","0.0005","90","","93.151","0.002","90","","11741.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H148 Ag19 B F4 O4 -","- C98 H144 Ag19 B F4 O4 -","- C392 H576 Ag76 B4 F16 O16 -","4","1","","Shu-Dan Bian; Jian-Hua Jia; Quan-Ming Wang","High-Nuclearity Silver Clusters Templated by Carbonates Generated from Atmospheric Carbon Dioxide Fixation","Journal of the American Chemical Society","2009","131","","3422","3423","10.1021/ja8087696","","","0.71073","MoKα","","0.1668","0.0649","","","0.1309","0.1527","","","","","","0.919","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104015","8.7442","0.0004","27.4138","0.0014","9.2149","0.0004","90","","113.809","0.002","90","","2020.93","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Fe N6 -","- C24 H20 Fe N6 -","- C96 H80 Fe4 N24 -","4","1","","Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2","Journal of the American Chemical Society","2009","131","","3428","3429","10.1021/ja8089747","","","0.71073","MoKα","","0.0586","0.0424","","","0.0932","0.1001","","","","","","1.041","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104016","9.0129","0.0008","14.4774","0.0012","17.0517","0.0014","94.368","0.003","97.829","0.003","97.521","0.003","2175.2","0.3","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C25.5 H21.5 N6 Ni -","- C25.5 H21.5 N6 Ni -","- C102 H86 N24 Ni4 -","4","2","","Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2","Journal of the American Chemical Society","2009","131","","3428","3429","10.1021/ja8089747","","","0.71073","MoKα","","0.088","0.0435","","","0.0842","0.1006","","","","","","0.946","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104017","8.0558","0.0005","10.8367","0.0007","14.3114","0.0009","72.491","0.003","85.244","0.004","81.614","0.004","1177.73","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 Fe N4 Si2 -","- C18 H28 Fe N4 Si2 -","- C36 H56 Fe2 N8 Si4 -","2","1","","Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2","Journal of the American Chemical Society","2009","131","","3428","3429","10.1021/ja8089747","","","0.71073","MoKα","","0.0533","0.0389","","","0.0963","0.1018","","","","","","1.048","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104018","8.5577","0.0004","16.6991","0.0006","30.5536","0.0012","90","","90","","90","","4366.3","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Fe N6 -","- C24 H24 Fe N6 -","- C192 H192 Fe8 N48 -","8","2","","Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2","Journal of the American Chemical Society","2009","131","","3428","3429","10.1021/ja8089747","","","0.71073","MoKα","","0.056","0.0388","","","0.0708","0.0769","","","","","","1.035","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104019","30.8068","0.0012","14.4243","0.0005","18.5224","0.0007","90","","126.141","0.002","90","","6646.9","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 Co F3 N6 O4 S -","- C29 H28 Co F3 N6 O4 S -","- C232 H224 Co8 F24 N48 O32 S8 -","8","1","","Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2","Journal of the American Chemical Society","2009","131","","3428","3429","10.1021/ja8089747","","","0.71073","MoKα","","0.0782","0.0551","","","0.1424","0.1543","","","","","","1.055","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104020","9.028","0.006","14.398","0.009","16.882","0.009","93.92","0.05","98.35","0.05","97.35","0.04","2145","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 Co N6 -","- C24 H20 Co N6 -","- C96 H80 Co4 N24 -","4","2","","Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2","Journal of the American Chemical Society","2009","131","","3428","3429","10.1021/ja8089747","","","0.9789","","","0.0488","0.0474","","","0.1325","0.1349","","","","","","1.03","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104021","23.936","0.005","6.8126","0.0014","12.455","0.003","90","","118.2","0.03","90","","1789.9","0.8","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis(2-methylpropyldimethylsilyl)telluride","Bis(2-methylpropyldimethylsilyl)telluride","","- C12 H30 Si2 Te -","- C12 H30 Si2 Te -","- C48 H120 Si8 Te4 -","4","0.5","","Viljami Pore; Timo Hatanpää; Mikko Ritala; Markku Leskelä","Atomic Layer Deposition of Metal Tellurides and Selenides Using Alkylsilyl Compounds of Tellurium and Selenium","Journal of the American Chemical Society","2009","131","","3478","3480","10.1021/ja8090388","","","0.71073","MoKα","","0.0415","0.0356","","","0.1079","0.1097","","","","","","1.427","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104022","8.1232","0.0004","14.3079","0.0006","17.301","0.0008","101.95","0.003","92.574","0.003","94.037","0.003","1958.72","0.16","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Cl4 S Si2 -","- C42 H48 Cl4 S Si2 -","- C84 H96 Cl8 S2 Si4 -","2","1","","Ming Lee Tang; Joon Hak Oh; Anna Devi Reichardt; Zhenan Bao","Chlorination: A General Route toward Electron Transport in Organic Semiconductors","Journal of the American Chemical Society","2009","131","","3733","3740","10.1021/ja809045s","","","1.54178","CuKα","","0.0829","0.0488","","","0.1156","0.1345","","","","","","0.929","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104023","10.22","0.0014","15.396","0.003","19.845","0.003","101.182","0.004","90.581","0.004","100.776","0.004","3005.8","0.9","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H40 N4 O4 -","- C33 H40 N4 O4 -","- C132 H160 N16 O16 -","4","2","","Leigh, David A.; Lusby, Paul J.; McBurney, Roy T.; Morelli, Alessandra; Slawin, Alexandra M. Z.; Thomson, Andrew R.; Walker, D. Barney","Getting Harder: Cobalt(III)-Template Synthesis of Catenanes and Rotaxanes","Journal of the American Chemical Society","2009","131","10","3762","3771","10.1021/ja809627j","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","219207","2020-10-21","18:00:00",""
"4104024","15.4921","0.0006","19.1721","0.0008","21.3192","0.0009","90","","100.176","0.002","90","","6232.5","0.4","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H86 Co N7 O8 -","- C68 H86 Co N7 O8 -","- C272 H344 Co4 N28 O32 -","4","1","","Leigh, David A.; Lusby, Paul J.; McBurney, Roy T.; Morelli, Alessandra; Slawin, Alexandra M. Z.; Thomson, Andrew R.; Walker, D. Barney","Getting Harder: Cobalt(III)-Template Synthesis of Catenanes and Rotaxanes","Journal of the American Chemical Society","2009","131","10","3762","3771","10.1021/ja809627j","","","0.71073","MoKα","","0.0711","0.0666","","","0.1759","0.1807","","","","","","1.033","","","","has coordinates","219207","2020-10-21","18:00:00",""
"4104025","14.142","0.004","20.476","0.007","23.569","0.011","90","","90","","90","","6825","4","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70.5 H90 Cl Co N7 O8.5 -","- C70.5 H90 Cl Co N7 O8.5 -","- C282 H360 Cl4 Co4 N28 O34 -","4","1","","Leigh, David A.; Lusby, Paul J.; McBurney, Roy T.; Morelli, Alessandra; Slawin, Alexandra M. Z.; Thomson, Andrew R.; Walker, D. Barney","Getting Harder: Cobalt(III)-Template Synthesis of Catenanes and Rotaxanes","Journal of the American Chemical Society","2009","131","10","3762","3771","10.1021/ja809627j","","","","","","0.135","","","","","","","","","","","","","","","has coordinates","219207","2020-10-21","18:00:00",""
"4104026","10.0482","0.001","14.0223","0.0014","21.011","0.002","94.687","0.002","103.329","0.002","91.388","0.002","2868.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H69 Cl4 N5 P2 Zr -","- C59 H69 Cl4 N5 P2 Zr -","- C118 H138 Cl8 N10 P4 Zr2 -","2","1","","Pascal Oulié; Noel Nebra; Nathalie Saffon; Laurent Maron; Blanca Martin-Vaca; Didier Bourissou","2-Indenylidene Pincer Complexes of Zirconium and Palladium","Journal of the American Chemical Society","2009","131","","3493","3498","10.1021/ja809892a","","","0.71073","MoKα","","0.0777","0.0465","","","0.1011","0.1137","","","","","","1.006","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104027","12.8825","0.0014","23.109","0.002","17.1419","0.0018","90","","110.034","0.002","90","","4794.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H58 N4 P2 Zr -","- C55 H58 N4 P2 Zr -","- C220 H232 N16 P8 Zr4 -","4","1","","Pascal Oulié; Noel Nebra; Nathalie Saffon; Laurent Maron; Blanca Martin-Vaca; Didier Bourissou","2-Indenylidene Pincer Complexes of Zirconium and Palladium","Journal of the American Chemical Society","2009","131","","3493","3498","10.1021/ja809892a","","","0.71073","MoKα","","0.1062","0.0452","","","0.071","0.0858","","","","","","0.753","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104028","11.3074","0.0004","14.8453","0.0005","25.2573","0.0007","90","","90.58","0.002","90","","4239.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H51 N O0.5 P2 Pd S2 -","- C47 H51 N O0.5 P2 Pd S2 -","- C188 H204 N4 O2 P8 Pd4 S8 -","4","1","","Pascal Oulié; Noel Nebra; Nathalie Saffon; Laurent Maron; Blanca Martin-Vaca; Didier Bourissou","2-Indenylidene Pincer Complexes of Zirconium and Palladium","Journal of the American Chemical Society","2009","131","","3493","3498","10.1021/ja809892a","","","0.71073","MoKα","","0.1535","0.0485","","","0.0779","0.1069","","","","","","0.979","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104029","8.5993","0.0002","17.291","0.0005","10.7919","0.0003","90","","100.022","0.002","90","","1580.17","0.07","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N -","- C18 H23 N -","- C72 H92 N4 -","4","1","","Kirill V. Axenov; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Catalytic Hydrogenation of Sensitive Organometallic Compounds by Antagonistic N/B Lewis Pair Catalyst Systems","Journal of the American Chemical Society","2009","131","","3454","3455","10.1021/ja8100006","","","1.54178","CuKα","","0.0514","0.0457","","","0.1175","0.1233","","","","","","1.063","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104030","13.6288","0.0002","17.8192","0.0003","14.1609","0.0002","90","","91.922","0.001","90","","3437.1","0.09","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl2 N2 Zr -","- C36 H48 Cl2 N2 Zr -","- C144 H192 Cl8 N8 Zr4 -","4","1","","Kirill V. Axenov; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Catalytic Hydrogenation of Sensitive Organometallic Compounds by Antagonistic N/B Lewis Pair Catalyst Systems","Journal of the American Chemical Society","2009","131","","3454","3455","10.1021/ja8100006","","","0.71073","MoKα","","0.0822","0.0438","","","0.0866","0.099","","","","","","1.028","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104031","30.1073","0.0002","30.1073","0.0002","30.1073","0.0002","90","","90","","90","","27290.7","0.3","100","2","100","2","","","","","","","","6","F m -3","-F 2 2 3","202","","","","- C192 H240 Br6 Co9 N84 O74 -","- C192 H240 Br6 Co9 N84 O74.04 -","- C768 H960 Br24 Co36 N336 O296.16 -","4","0.0416667","","Man-Li Cao; Jin-Ji Wu; Hao-Jun Mo; Bao-Hui Ye","Template Trapping and Crystal Structure of the Magic Number (H2O)21 Cluster in the Tetrahedral Hole of a Nanoscale Global Ion Packed in a Face-Centered cubic Pattern","Journal of the American Chemical Society","2009","131","","3458","3459","10.1021/ja810107a","","","0.71073","MoKα","","0.1192","0.0682","","","0.1794","0.2023","","","","","","1.005","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104032","30.165","0.003","30.165","0.003","30.165","0.003","90","","90","","90","","27448","5","100","2","100","2","","","","","","","","6","F m -3","-F 2 2 3","202","","","","- C192 H240 Cl6 Co9 N84 O76 -","- C192 H240 Cl6 Co9 N84 O75.956 -","- C768 H960 Cl24 Co36 N336 O303.824 -","4","0.0416667","","Man-Li Cao; Jin-Ji Wu; Hao-Jun Mo; Bao-Hui Ye","Template Trapping and Crystal Structure of the Magic Number (H2O)21 Cluster in the Tetrahedral Hole of a Nanoscale Global Ion Packed in a Face-Centered cubic Pattern","Journal of the American Chemical Society","2009","131","","3458","3459","10.1021/ja810107a","","","0.71073","MoKα","","0.0812","0.0523","","","0.1592","0.173","","","","","","1.009","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104033","18.8589","0.0008","10.4859","0.0005","18.3537","0.0008","90","","104.335","0.003","90","","3516.5","0.3","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C144 H176 N16 O24 -","8","2","","Akihiro Nojiri; Naoya Kumagai; Masakatsu Shibasaki","Linking Structural Dynamics and Functional Diversity in Asymmetric Catalysis","Journal of the American Chemical Society","2009","131","","3779","3784","10.1021/ja900084k","","","1.54187","CuKα","","0.1722","0.1422","","","0.3281","0.3444","","","","","","1.059","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104034","10.3937","0.0003","11.6798","0.0004","45.6145","0.0014","90","","90","","90","","5537.4","0.3","143.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C216 H252 Cl12 N24 O36 -","12","3","","Akihiro Nojiri; Naoya Kumagai; Masakatsu Shibasaki","Linking Structural Dynamics and Functional Diversity in Asymmetric Catalysis","Journal of the American Chemical Society","2009","131","","3779","3784","10.1021/ja900084k","","","1.54187","CuKα","","","0.0849","","","","0.2432","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104035","6.5984","0.0011","12.125","0.002","26.515","0.005","90","","90","","90","","2121.3","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br O3 -","- C24 H25 Br O3 -","- C96 H100 Br4 O12 -","4","1","","Minoru Uemura; Iain D. G. Watson; Mikimoto Katsukawa; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Synthesis of Benzopyrans via Rearrangement of Allylic Oxonium Intermediates","Journal of the American Chemical Society","2009","131","","3464","3465","10.1021/ja900155x","","","0.71073","MoKα","","0.0657","0.0387","","","0.0815","0.0935","","","","","","1.007","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104036","8.1385","0.0002","18.5203","0.0006","20.3914","0.0006","90","","90","","90","","3073.54","0.15","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O2 S -","- C18 H15 N O2 S -","- C144 H120 N8 O16 S8 -","8","1","","Xiaodan Zhao; Elena Dimitrijević; Vy M. Dong","Palladium-Catalyzed C-H Bond Functionalization with Arylsulfonyl Chlorides","Journal of the American Chemical Society","2009","131","","3466","3467","10.1021/ja900200g","","","","","","","","","","","","","","","","","","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104037","12.8108","0.0004","13.4663","0.0004","13.3937","0.0004","90","","100.156","0.002","90","","2274.4","0.12","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H9 B F15 N -","- C25 H9 B F15 N -","- C100 H36 B4 F60 N4 -","4","1","","Stephen J. Geier; Douglas W. Stephan","Lutidine/B(C6F5)3: At the Boundary of Classical and Frustrated Lewis Pair Reactivity","Journal of the American Chemical Society","2009","131","","3476","3477","10.1021/ja900572x","","","0.71073","MoKα","","0.0709","0.0494","","","0.1275","0.1475","","","","","","1.055","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104038","17.8525","0.0012","9.8407","0.0007","15.2683","0.001","90","","115.01","0.003","90","","2430.8","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H11 B F15 N -","- C25 H11 B F15 N -","- C100 H44 B4 F60 N4 -","4","1","","Stephen J. Geier; Douglas W. Stephan","Lutidine/B(C6F5)3: At the Boundary of Classical and Frustrated Lewis Pair Reactivity","Journal of the American Chemical Society","2009","131","","3476","3477","10.1021/ja900572x","","","0.71073","MoKα","","0.1085","0.0516","","","0.1311","0.168","","","","","","1.005","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104039","17.4334","0.0009","10.6793","0.0006","14.4679","0.0008","90","","90","","90","","2693.6","0.3","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H17 B F15 N O -","- C29 H17 B F15 N O -","- C116 H68 B4 F60 N4 O4 -","4","1","","Stephen J. Geier; Douglas W. Stephan","Lutidine/B(C6F5)3: At the Boundary of Classical and Frustrated Lewis Pair Reactivity","Journal of the American Chemical Society","2009","131","","3476","3477","10.1021/ja900572x","","","0.71073","MoKα","","0.0524","0.0389","","","0.1063","0.1146","","","","","","1.046","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104040","6.6317","0.0003","13.2907","0.0007","13.6951","0.0007","63.1627","0.0005","76.1838","0.0006","88.7493","0.0006","1040.75","0.09","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N2 O Si -","- C22 H30 N2 O Si -","- C44 H60 N4 O2 Si2 -","2","1","","David B. C. Martin; Christopher D. Vanderwal","Efficient Access to the Core of the Strychnos, Aspidosperma and Iboga Alkaloids. A Short Synthesis of Norfluorocurarine","Journal of the American Chemical Society","2009","131","","3472","3473","10.1021/ja900640v","","","","","","","","","","","","","","","","","","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104041","17.66","0.006","26.919","0.008","18.596","0.006","90","","105.08","0.005","90","","8536","5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C174 H242 K2 O28 Ta4 -","- C174 H242 K2 O28 Ta4 -","- C348 H484 K4 O56 Ta8 -","2","0.5","","Takahito Watanabe; Yutaka Ishida; Tsukasa Matsuo; Hiroyuki Kawaguchi","Reductive Coupling of Six Carbon Monoxides by a Ditantalum Hydride Complex","Journal of the American Chemical Society","2009","131","","3474","3475","10.1021/ja9007276","","","0.7107","MoKα","","0.1216","0.1003","","","0.1868","0.1975","","","","","","1.261","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104042","13.695","0.005","18.865","0.007","19.053","0.008","115.639","0.003","106.946","0.004","97.7005","0.0016","4047","3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C166 H220 O24 Ta4 -","- C166 H220 O24 Ta4 -","- C166 H220 O24 Ta4 -","1","0.5","","Takahito Watanabe; Yutaka Ishida; Tsukasa Matsuo; Hiroyuki Kawaguchi","Reductive Coupling of Six Carbon Monoxides by a Ditantalum Hydride Complex","Journal of the American Chemical Society","2009","131","","3474","3475","10.1021/ja9007276","","","0.7107","MoKα","","0.096","0.0754","","","0.1954","0.2089","","","","","","1.08","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104043","20.306","0.002","24.091","0.003","34.887","0.004","80.559","0.004","78.017","0.004","73.103","0.003","15876","3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C155 H200 O20 Ta4 -","- C155 H200 O20 Ta4 -","- C620 H800 O80 Ta16 -","4","2","","Takahito Watanabe; Yutaka Ishida; Tsukasa Matsuo; Hiroyuki Kawaguchi","Reductive Coupling of Six Carbon Monoxides by a Ditantalum Hydride Complex","Journal of the American Chemical Society","2009","131","","3474","3475","10.1021/ja9007276","","","0.7107","MoKα","","0.1047","0.0699","","","0.1623","0.1784","","","","","","1.073","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104044","11.1616","0.0009","11.9919","0.0009","15.6096","0.001","90","","90","","90","","2089.3","0.3","85","2","85","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C19 H26 Cl2 F2 N2 Pd -","- C19 H26 Cl2 F2 N2 Pd -","- C76 H104 Cl8 F8 N8 Pd4 -","4","0.5","","Nicholas D. Ball; Melanie S. Sanford","Synthesis and Reactivity of a Mono-σ-Aryl Palladium(IV) Fluoride Complex","Journal of the American Chemical Society","2009","131","","3796","3797","10.1021/ja8054595","","","0.71073","MoKα","","0.0507","0.0386","","","0.1032","0.1102","","","","","","1.095","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104045","17.9592","0.0012","17.5332","0.0012","20.295","0.0014","90","","95.135","0.001","90","","6364.9","0.8","85","2","85","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C57 H65 F4 N4 Pd2 -","- C57 H65 F4 N4 Pd2 -","- C228 H260 F16 N16 Pd8 -","4","1","","Nicholas D. Ball; Melanie S. Sanford","Synthesis and Reactivity of a Mono-σ-Aryl Palladium(IV) Fluoride Complex","Journal of the American Chemical Society","2009","131","","3796","3797","10.1021/ja8054595","","","0.71073","MoKα","","0.07","0.0552","","","0.1553","0.1651","","","","","","1.135","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104046","9.6894","0.0007","12.7681","0.0009","13.8914","0.001","73.672","0.001","77.18","0.001","69.587","0.001","1530.97","0.19","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H41 F5 N2 O2 Pd -","- C30 H41 F5 N2 O2 Pd -","- C60 H82 F10 N4 O4 Pd2 -","2","1","","Nicholas D. Ball; Melanie S. Sanford","Synthesis and Reactivity of a Mono-σ-Aryl Palladium(IV) Fluoride Complex","Journal of the American Chemical Society","2009","131","","3796","3797","10.1021/ja8054595","","","0.71073","MoKα","","0.0526","0.0448","","","0.1019","0.1088","","","","","","1.105","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104047","22.5453","0.0007","10.6236","0.0003","17.5931","0.0006","90","","116.324","0.002","90","","3776.8","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N4 O6 -","- C17 H18 N4 O6 -","- C136 H144 N32 O48 -","8","1","","J. Craig Ruble; Alexander R. Hurd; Timothy A. Johnson; Debra A. Sherry; Michael R. Barbachyn; Peter L. Toogood; Gordon L. Bundy; David R. Graber; Gregg M. Kamilar","Synthesis of (-)-PNU-286607 by Asymmetric Cyclization of Alkylidene Barbiturates","Journal of the American Chemical Society","2009","131","","3991","3997","10.1021/ja808014h","","","1.54178","CuKα","","0.0612","0.0431","","","0.1113","0.1269","","","","","","0.864","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104048","23.5028","0.0004","23.5028","0.0004","12.4607","0.0003","90","","90","","90","","6883.1","0.2","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","Zinc imidazolate 3D framework","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","1","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","","0.71073","MoKα","","0.0485","0.0276","","","0.0401","0.0428","","","","","","0.884","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104049","23.4856","0.0006","23.4856","0.0006","12.4521","0.0007","90","","90","","90","","6868.2","0.5","298","2","298","2","100","1","100","1","","","","4","I 41 c d","I 4bw -2c","110","Zinc Imidazolate","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","1","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","x-ray","0.71073","MoKα","","0.2482","0.0757","","","0.0953","0.1303","","","","","","0.924","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104050","23.3569","0.0005","23.3569","0.0005","12.4441","0.0006","90","","90","","90","","6788.8","0.4","298","2","298","2","92000","5000","92000","5000","","","","4","I 41 c d","I 4bw -2c","110","Zinc Imidazolate","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","1","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","x-ray","0.71073","MoKα","","0.1549","0.056","","","0.0594","0.0794","","","","","","0.839","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104051","23.2297","0.0004","23.2297","0.0004","12.4296","0.0005","90","","90","","90","","6707.2","0.3","298","2","298","2","295000","6000","295000","6000","","","","4","I 41 c d","I 4bw -2c","110","Zinc Imidazolate","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","1","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","x-ray","0.71073","MoKα","","0.2073","0.0552","","","0.0447","0.0584","","","","","","0.854","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104052","23.0474","0.0006","23.0474","0.0006","12.402","0.0007","90","","90","","90","","6587.7","0.4","298","2","298","2","543000","5000","547000","5000","","","","4","I 41 c d","I 4bw -2c","110","Zinc Imidazolate","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","1","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","x-ray","0.71073","MoKα","","0.2677","0.0694","","","0.0818","0.1115","","","","","","0.87","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104053","22.7482","0.0003","22.7482","0.0003","13.0168","0.0003","90","","90","","90","","6735.9","0.2","298","2","298","2","","","","","","","","4","I 41","I 4bw","80","Zinc imidazolate 3D framework","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","2","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","","0.71073","MoKα","","0.0524","0.0382","","","0.0516","0.054","","","","","","0.9","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104054","48.527","0.006","48.527","0.006","48.527","0.006","90","","90","","90","","114275","2","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C29 H27 Cd O6.75 -","- C29 H27 Cd O6.75 -","- C2784 H2592 Cd96 O648 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.90002","synchrotron","","0.0376","0.0369","","","0.0981","0.0989","","","","","","1.062","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104055","48.325","0.006","48.325","0.006","48.325","0.006","90","","90","","90","","112854","2","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C29 H26 Cd O9.25 -","- C29 H26 Cd O9.25 -","- C2784 H2496 Cd96 O888 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.90002","synchrotron","","0.0753","0.0674","","","0.1925","0.1996","","","","","","1.097","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104056","48.85","0.006","48.85","0.006","48.85","0.006","90","","90","","90","","116572","2","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C336 H312 O219 Pb12 -","- C336 H312 O219 Pb12 -","- C2688 H2496 O1752 Pb96 -","8","0.0416667","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.8","synchrotron","","0.0625","0.0612","","","0.1658","0.1672","","","","","","1.042","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4104057","48.535","0.006","48.535","0.006","48.535","0.006","90","","90","","90","","114331","2","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C336 H312 O123 Pb12 -","- C336 H312 O123 Pb12 -","- C2688 H2496 O984 Pb96 -","8","0.0416667","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0959","0.0871","","","0.2487","0.2681","","","","","","1.044","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4104058","48.436","0.006","48.436","0.006","48.436","0.006","90","","90","","90","","113633","2","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd O8.25 -","- C28 H26 Cd O8.25 -","- C2688 H2496 Cd96 O792 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.85","synchrotron","","0.0451","0.0434","","","0.1266","0.1282","","","","","","1.088","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104059","48.686","0.006","48.686","0.006","48.686","0.006","90","","90","","90","","115402","2","90","2","90","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd0.76 O6.75 Pb0.24 -","- C28 H26 Cd0.76 O6.75 Pb0.24 -","- C2688 H2496 Cd72.96 O648 Pb23.04 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0875","0.08","","","0.2276","0.2398","","","","","","1.077","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104060","48.673","0.006","48.673","0.006","48.673","0.006","90","","90","","90","","115309","2","90","2","90","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd0.66 O6.25 Pb0.34 -","- C28 H26 Cd0.66 O6.25 Pb0.34 -","- C2688 H2496 Cd63.36 O600 Pb32.64 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0864","0.0793","","","0.2261","0.2368","","","","","","1.076","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104061","48.827","0.006","48.827","0.006","48.827","0.006","90","","90","","90","","116407","2","90","2","90","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd0.58 O7.75 Pb0.42 -","- C28 H26 Cd0.58 O7.75 Pb0.42 -","- C2688 H2496 Cd55.68 O744 Pb40.32 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0882","0.0782","","","0.2247","0.24","","","","","","1.098","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104062","48.947","0.006","48.947","0.006","48.947","0.006","90","","90","","90","","117268","2","90","2","90","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd0.38 O5.75 Pb0.62 -","- C28 H26 Cd0.38 O5.75 Pb0.62 -","- C2688 H2496 Cd36.48 O552 Pb59.52 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0873","0.0829","","","0.2395","0.2482","","","","","","1.093","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104063","48.829","0.006","48.829","0.006","48.829","0.006","90","","90","","90","","116422","2","90","2","90","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C28 H26 Cd0.16 O6.25 Pb0.84 -","- C28 H26 Cd0.16 O6.25 Pb0.84 -","- C2688 H2496 Cd15.36 O600 Pb80.64 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.9","synchrotron","","0.0795","0.0765","","","0.2151","0.2209","","","","","","1.101","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104064","48.793","0.006","48.793","0.006","48.793","0.006","90","","90","","90","","116164","2","298","2","298","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C336 H312 O51 Pb12 -","- C336 H312 O51 Pb12 -","- C2688 H2496 O408 Pb96 -","8","0.0416667","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.90001","synchrotron","","0.0824","0.0669","","","0.1801","0.1938","","","","","","1.05","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4104065","49.267","0.006","49.267","0.006","49.267","0.006","90","","90","","90","","119583","3","90","2","90","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C29 H26 Dy O6.75 -","- C29 H26 Dy O6.75 -","- C2784 H2496 Dy96 O648 -","96","0.5","","Sunirban Das; Hyunuk Kim; Kimoon Kim","Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","3814","3815","10.1021/ja808995d","","","0.89999","synchrotron","","0.0856","0.0839","","","0.23","0.2324","","","","","","1.114","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104066","15.6934","0.0014","17.4648","0.0014","84.055","0.007","90","","90","","90","","23038","3","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C185 H305 N37 O58 S6 -","- C185 H291 N37 O58 S6 -","- C740 H1164 N148 O232 S24 -","4","1","","Naoki Ousaka; Tomohiro Sato; Reiko Kuroda","Total Helical-Sense Bias of an Achiral Peptide Main Chain Induced by a Chiral Side-Chain Bridge","Journal of the American Chemical Society","2009","131","","3820","3821","10.1021/ja8091714","","","0.71073","MoKα","","0.1218","0.0985","","","0.2056","0.2186","","","","","","1.072","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104067","9.041","0.005","10.005","0.005","12.145","0.005","62.119","0.005","70.696","0.005","85.276","0.005","913","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","dienol","","","- C22 H21 F N0 O3 -","- C22 H21 F O3 -","- C44 H42 F2 O6 -","2","1","","Naohiko Yoshikai; Song-Lin Zhang; Ken-ichi Yamagata; Hayato Tsuji; Eiichi Nakamura","Mechanistic Study of the Manganese-Catalyzed [2 + 2 + 2] Annulation of 1,3-Dicarbonyl Compounds and Terminal Alkynes","Journal of the American Chemical Society","2009","131","","4099","4109","10.1021/ja809202y","","","0.71069","MoKα","","0.0337","0.0314","","","0.0778","0.0798","","","","","","1.012","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104068","13.262","0.0007","13.9991","0.0006","18.9895","0.0008","100.216","0.002","102.279","0.002","102.329","0.002","3272.5","0.3","100","","100","","","","","","","","dichloromethane/pentane","5","P -1","-P 1","2","","tris[2'-(1-adamantylcarbonyl)oxy-1,1'-biphenyl-2-yl]phosphite oxide tris-dichloromethane solute","","- C72 H75 Cl6 O10 P -","- C72 H75 Cl6 O10 P -","- C144 H150 Cl12 O20 P2 -","2","1","","Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott","Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis","Journal of the American Chemical Society","2009","131","","4136","4142","10.1021/ja809297a","","","1.54178","CuKα","","0.1906","0.0973","","","0.2505","0.3124","","","","","","0.977","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104069","23.9458","0.0003","23.9458","0.0003","10.7465","0.0002","90","","90","","120","","5336.5","0.14","100","","100","","","","","","","","dichloromethane/pentane","4","R 3 :H","R 3","146","","anti-tris[(R)-2'-(1-adamantylcarbonyl)oxy-1,1'-binaphthyl-2-yl]phosphite","","- C93 H81 O9 P -","- C93 H81 O9 P0.99 -","- C279 H243 O27 P2.97 -","3","0.333333","","Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott","Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis","Journal of the American Chemical Society","2009","131","","4136","4142","10.1021/ja809297a","","","1.54178","CuKα","","0.0304","0.0302","","","0.0805","0.0806","","","","","","1.06","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104070","23.8503","0.0006","23.8503","0.0006","10.7465","0.0003","90","","90","","120","","5294","0.2","100","","100","","","","","","","","dichloromethane/ethylacetate/hexane","4","R 3 :H","R 3","146","","anti-tris[(S)-2'-(1-adamantylcarbonyl)oxy-1,1'-binaphthyl-2-yl]phosphite","","- C93 H81 O9 P -","- C93 H81 O9 P0.99 -","- C279 H243 O27 P2.97 -","3","0.333333","","Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott","Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis","Journal of the American Chemical Society","2009","131","","4136","4142","10.1021/ja809297a","","","0.71073","MoKα","","0.0531","0.0502","","","0.1368","0.1401","","","","","","1.051","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104071","20.6143","0.0002","20.6143","0.0002","17.9025","0.0003","90","","90","","120","","6588.42","0.14","100","","100","","","","","","","","dichloromethane/pentane","5","P 63","P 6c","173","","tris((2'-phenylcarboxy-1,1'-(S)binaphthalen-2-yl)-oxy)phosphine dichloromethane solute","","- C82 H53 Cl2 O9 P -","- C81 H51 Cl1.995 O9 P -","- C324 H204 Cl7.98 O36 P4 -","4","0.666667","","Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott","Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis","Journal of the American Chemical Society","2009","131","","4136","4142","10.1021/ja809297a","","","0.71073","MoKα","","0.0966","0.0765","","","0.1671","0.1784","","","","","","1.077","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104072","22.369","0.003","10.9191","0.0015","19.087","0.003","90","","110.827","0.002","90","","4357.4","1.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonjt01","","","- C40 H74 Ni2 P4 S -","- C40 H74 Ni2 P4 S -","- C160 H296 Ni8 P16 S4 -","4","1","","Jorge Torres-Nieto; William W. Brennessel; William D. Jones; Juventino J. García","Mechanistic Insights on the Hydrodesulfurization of Biphenyl-2-thiol with Nickel Compounds","Journal of the American Chemical Society","2009","131","","4120","4126","10.1021/ja809457s","","","0.71073","MoKα","","0.0791","0.0447","","","0.0931","0.1079","","","","","","1.02","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104073","30.896","0.004","50.891","0.007","9.0942","0.0013","90","","90","","90","","14299","3","105","0.1","105","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","jonjt03","","","- C38 H50 Ni P2 S2 -","- C38 H50 Ni P2 S2 -","- C608 H800 Ni16 P32 S32 -","16","1","","Jorge Torres-Nieto; William W. Brennessel; William D. Jones; Juventino J. García","Mechanistic Insights on the Hydrodesulfurization of Biphenyl-2-thiol with Nickel Compounds","Journal of the American Chemical Society","2009","131","","4120","4126","10.1021/ja809457s","","","0.71073","MoKα","","0.0758","0.0471","","","0.0768","0.0863","","","","","","1.012","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104074","11.564","0.004","23.307","0.008","14.844","0.006","90","","102.17","0.006","90","","3911","2","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H33 B Cu F4 N5 -","- C50 H33 B Cu F4 N5 -","- C200 H132 B4 Cu4 F16 N20 -","4","1","","Kuniharu Nomoto; Shoko Kume; Hiroshi Nishihara","A Single Molecular System Gating Electron Transfer by Ring Inversion of a Methylpyridylpyrimidine Ligand on Copper","Journal of the American Chemical Society","2009","131","","3830","3831","10.1021/ja8097564","","","0.71073","MoKα","","0.1095","0.094","","","0.2512","0.2656","","","","","","1.14","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104075","12.9114","0.0009","16.8578","0.0012","17.6005","0.0012","79.481","0.001","74.323","0.001","80.225","0.001","3596.9","0.4","100","2","293","2","","","","","","","","8","P -1","-P 1","2","{[BP2]Cu(NTol2)}{Li(12-crown-4)2}","","","- C70.57 H118.12 B Cu Li N O10.02 P2 -","- C70.568 H118.12 B Cu Li N O10.019 P2 -","- C141.136 H236.24 B2 Cu2 Li2 N2 O20.038 P4 -","2","1","","Neal P. Mankad; William E. Antholine; Robert K. Szilagyi; Jonas C. Peters","Three-Coordinate Copper(I) Amido and Aminyl Radical Complexes","Journal of the American Chemical Society","2009","131","","3878","3880","10.1021/ja809834k","","","0.71073","MoKα","","0.082","0.0518","","","0.1274","0.1458","","","","","","1.015","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104076","16.3201","0.0018","16.3538","0.0018","18.849","0.002","90","","91.277","0.002","90","","5029.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[BP2]Cu(NTol2)","","","- C52.42 H80.84 B Cu N P2 -","- C52.42 H80.84 B Cu N P2 -","- C209.68 H323.36 B4 Cu4 N4 P8 -","4","1","","Neal P. Mankad; William E. Antholine; Robert K. Szilagyi; Jonas C. Peters","Three-Coordinate Copper(I) Amido and Aminyl Radical Complexes","Journal of the American Chemical Society","2009","131","","3878","3880","10.1021/ja809834k","","","0.71073","MoKα","","0.0807","0.0606","","","0.1667","0.1813","","","","","","1.282","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104077","10.575","0.015","21.6","0.03","16.5","0.02","90","","96.41","0.02","90","","3745","9","100","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 B Cu N P2 -","- C42 H59 B Cu N P2 -","- C168 H236 B4 Cu4 N4 P8 -","4","1","","Neal P. Mankad; William E. Antholine; Robert K. Szilagyi; Jonas C. Peters","Three-Coordinate Copper(I) Amido and Aminyl Radical Complexes","Journal of the American Chemical Society","2009","131","","3878","3880","10.1021/ja809834k","","","0.71073","MoKα","","0.2077","0.1187","","","0.2839","0.3511","","","","","","1.021","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104078","11.3014","0.0011","15.7553","0.0013","15.7553","0.0013","90","","90","","90","","2805.3","0.4","100","2","100","2","","","","","","","","5","P m m m","-P 2 2","47","","","","- C65 H113 N15 O19 Zn -","- C24 H17 N O6 Zn -","- C48 H34 N2 O12 Zn2 -","2","0.25","","Karen L. Mulfort; Omar K. Farha; Charlotte L. Stern; Amy A. Sarjeant; Joseph T. Hupp","Post-Synthesis Alkoxide Formation Within Metal-Organic Framework Materials: A Strategy for Incorporating Highly Coordinatively Unsaturated Metal Ions","Journal of the American Chemical Society","2009","131","","3866","3868","10.1021/ja809954r","","","0.71073","MoKα","","0.1477","0.1078","","","0.2575","0.2723","","","","","","0.793","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104079","5.916","0.004","7.695","0.005","21.225","0.013","90","","92.434","0.008","90","","965.4","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 Br O3 -","- C22 H21 Br O3 -","- C44 H42 Br2 O6 -","2","1","","Ismail Ibrahem; Miao Yu; Richard R. Schrock; Amir H. Hoveyda","Highly Z- and Enantioselective Ring-Opening/Cross-Metathesis Reactions Catalyzed by Stereogenic-at-Mo Adamantylimido Complexes","Journal of the American Chemical Society","2009","131","","3844","3845","10.1021/ja900097n","","","0.71073","MoKα","","0.0438","0.0378","","","0.0899","0.0931","","","","","","1.011","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104080","9.6892","0.001","9.9873","0.001","10.4863","0.0011","78.256","0.002","64.72","0.001","75.357","0.002","882.45","0.16","130","2","130","2","","","","","","","","6","P 1","P 1","1","KB-VI-67","ellman01","","- C16 H24 Cl N O S -","- C16 H24 Cl N O S -","- C32 H48 Cl2 N2 O2 S2 -","2","2","","Katrien Brak; Jonathan A. Ellman","Asymmetric Synthesis of α-Branched Allylic Amines by the Rh(I)-Catalyzed Addition of Alkenyltrifluoroborates to N-tert-Butanesulfinyl Aldimines","Journal of the American Chemical Society","2009","131","","3850","3851","10.1021/ja9002603","","","0.71073","MoKα","","0.0841","0.0534","","","0.1047","0.1213","","","","","","1.033","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104081","10.4365","0.0007","17.1594","0.0012","20.0884","0.0013","90","","90","","90","","3597.5","0.4","153","1","153","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H39 N2 O7 P S2 -","- C36 H39 N2 O7 P S2 -","- C144 H156 N8 O28 P4 S8 -","4","1","","Jiming Zhang; Hua Wang; Ming Xian","An Unexpected Bis-ligation of S-Nitrosothiols","Journal of the American Chemical Society","2009","131","","3854","3855","10.1021/ja900370y","","","0.71073","MoKα","","0.0457","0.0447","","","0.1175","0.1184","","","","","","1.123","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104082","30.36","0.001","12.775","0.0004","13.5826","0.0004","90","","90","","90","","5268","0.3","","","623","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 I3 N6 Zn1.5 -","- C18 I3 N6 Zn1.25 -","- C144 I24 N48 Zn10 -","8","1","","Kazuaki Ohara; Javier Martí-Rujas; Tsuyoshi Haneda; Masaki Kawano; Daisuke Hashizume; Fujio Izumi; Makoto Fujita","Formation of a Thermally Stable, Porous Coordination Network via a Crystalline-to-Amorphous-to-Crystalline Phase Transition","Journal of the American Chemical Society","2009","131","","3860","3861","10.1021/ja9005145","powder diffraction","","0.9948","Synchrotron","","","0.0159","","","0.0209","","","","","","","","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104083","12.8366","0.0006","33.108","0.001","6.2214","0.0003","90","","99.818","0.003","90","","2605.33","0.19","","","95","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 I6 N13 O2 Zn3 -","- C42 I6 N13 O2 Zn3 -","- C84 I12 N26 O4 Zn6 -","2","1","","Kazuaki Ohara; Javier Martí-Rujas; Tsuyoshi Haneda; Masaki Kawano; Daisuke Hashizume; Fujio Izumi; Makoto Fujita","Formation of a Thermally Stable, Porous Coordination Network via a Crystalline-to-Amorphous-to-Crystalline Phase Transition","Journal of the American Chemical Society","2009","131","","3860","3861","10.1021/ja9005145","powder diffraction","","0.99967","Synchrotron","","","0.0262","","","0.0364","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104084","26.251","0.002","9.4449","0.0008","18.2801","0.0016","90","","105.527","0.002","90","","4366.9","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 B10 Zr -","- C18 H30 B10 Zr -","- C144 H240 B80 Zr8 -","8","1","","Shikuo Ren; Hoi-Shan Chan; Zuowei Xie","Synthesis, Structure, and Reactivity of Zirconacyclopentene Incorporating a Carboranyl Unit","Journal of the American Chemical Society","2009","131","","3862","3863","10.1021/ja900563u","","","0.71073","MoKα","","0.041","0.0315","","","0.0782","0.0844","","","","","","1.048","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104085","10.182","0.002","17.545","0.004","10.182","0.002","90","","107.19","","90","","1737.7","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 B10 -","- C14 H24 B10 -","- C56 H96 B40 -","4","1","","Shikuo Ren; Hoi-Shan Chan; Zuowei Xie","Synthesis, Structure, and Reactivity of Zirconacyclopentene Incorporating a Carboranyl Unit","Journal of the American Chemical Society","2009","131","","3862","3863","10.1021/ja900563u","","","0.71073","MoKα","","0.1112","0.0665","","","0.1594","0.1813","","","","","","1.019","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104086","10.2301","0.0017","18.885","0.003","16.192","0.003","90","","100.104","0.003","90","","3079.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H39 B10 N Zr -","- C28.5 H35 B10 N Zr -","- C114 H140 B40 N4 Zr4 -","4","1","","Shikuo Ren; Hoi-Shan Chan; Zuowei Xie","Synthesis, Structure, and Reactivity of Zirconacyclopentene Incorporating a Carboranyl Unit","Journal of the American Chemical Society","2009","131","","3862","3863","10.1021/ja900563u","","","0.71073","MoKα","","0.0618","0.0419","","","0.1056","0.1195","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104087","8.217","0.0002","9.3974","0.0002","21.2212","0.0006","96.417","0.001","95.858","0.001","110.434","0.001","1508.32","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H39 B10 N Zr -","- C27 H39 B10 N Zr -","- C54 H78 B20 N2 Zr2 -","2","1","","Shikuo Ren; Hoi-Shan Chan; Zuowei Xie","Synthesis, Structure, and Reactivity of Zirconacyclopentene Incorporating a Carboranyl Unit","Journal of the American Chemical Society","2009","131","","3862","3863","10.1021/ja900563u","","","0.71073","MoKα","","0.0358","0.0282","","","0.0703","0.0742","","","","","","1.017","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104088","7.3767","0.0006","10.9197","0.0009","15.7341","0.0014","90","","90","","90","","1267.4","0.19","153","1","153","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 N O4 S -","- C14 H9 N O4 S -","- C56 H36 N4 O16 S4 -","4","1","","Takeo Fukuzumi; Jeffrey W. Bode","A Reagent for the Convenient, Solid-Phase Synthesis of N-Terminal Peptide Hydroxylamines for Chemoselective Ligations","Journal of the American Chemical Society","2009","131","","3864","3865","10.1021/ja900601c","","","0.71073","MoKα","","0.029","0.0284","","","0.0684","0.0692","","","","","","1.123","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104089","9.819","0.002","10.829","0.002","11.772","0.003","90.172","0.004","105.664","0.003","102.286","0.003","1175.2","0.4","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C32 H30 -","- C32 H30 -","- C64 H60 -","2","1","","Andrea Lucotti; Matteo Tommasini; Daniele Fazzi; Mirella Del Zoppo; Wesley A. Chalifoux; Michael J. Ferguson; Giuseppe Zerbi; Rik R. Tykwinski","Evidence for Solution-State Nonlinearity of sp-Carbon Chains Based on IR and Raman Spectroscopy: Violation of Mutual Exclusion","Journal of the American Chemical Society","2009","131","","4239","4244","10.1021/ja078198b","","","0.71073","MoKα","","0.0816","0.0544","","","0.1346","0.1551","","","","","","1.04","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104090","17.0112","0.0015","12.7895","0.0012","11.8476","0.0011","90","","97.322","0.001","90","","2556.6","0.4","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 O -","- C32 H38 O -","- C128 H152 O4 -","4","0.5","","Andrea Lucotti; Matteo Tommasini; Daniele Fazzi; Mirella Del Zoppo; Wesley A. Chalifoux; Michael J. Ferguson; Giuseppe Zerbi; Rik R. Tykwinski","Evidence for Solution-State Nonlinearity of sp-Carbon Chains Based on IR and Raman Spectroscopy: Violation of Mutual Exclusion","Journal of the American Chemical Society","2009","131","","4239","4244","10.1021/ja078198b","","","0.71073","MoKα","","0.0828","0.0658","","","0.1856","0.2112","","","","","","1.047","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104091","9.439","0.0019","17.257","0.004","13.365","0.003","90","","93.96","0.03","90","","2171.8","0.8","301","2","301","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H64 N2 O7 Ru -","- C41 H52 N2 O7 Ru -","- C82 H104 N4 O14 Ru2 -","2","1","","Zhen-Jiang Xu; Ran Fang; Cunyuan Zhao; Jie-Sheng Huang; Gong-Yong Li; Nianyong Zhu; Chi-Ming Che","cis-β-Bis(carbonyl) Ruthenium-Salen Complexes: X-ray Crystal Structures and Remarkable Catalytic Properties toward Asymmetric Intramolecular Alkene Cyclopropanation","Journal of the American Chemical Society","2009","131","","4405","4417","10.1021/ja8086399","","","0.71073","MoKα","","0.0731","0.0497","","","0.1118","0.1194","","","","","","0.816","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104092","11.893","0.002","12.535","0.003","19.076","0.004","90","","90","","90","","2843.8","1","301","2","301","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O4 Ru -","- C30 H36 N2 O4 Ru -","- C120 H144 N8 O16 Ru4 -","4","1","","Zhen-Jiang Xu; Ran Fang; Cunyuan Zhao; Jie-Sheng Huang; Gong-Yong Li; Nianyong Zhu; Chi-Ming Che","cis-β-Bis(carbonyl) Ruthenium-Salen Complexes: X-ray Crystal Structures and Remarkable Catalytic Properties toward Asymmetric Intramolecular Alkene Cyclopropanation","Journal of the American Chemical Society","2009","131","","4405","4417","10.1021/ja8086399","","","0.71073","MoKα","","0.0268","0.0261","","","0.0765","0.077","","","","","","1.172","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104093","15.678","0.003","16.111","0.003","20.109","0.004","85.14","0.03","88.56","0.03","68.73","0.03","4716.2","1.9","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.5 H55 Cl N2 O4 Ru -","- C52.5 H55 Cl N2 O4 Ru -","- C210 H220 Cl4 N8 O16 Ru4 -","4","2","","Zhen-Jiang Xu; Ran Fang; Cunyuan Zhao; Jie-Sheng Huang; Gong-Yong Li; Nianyong Zhu; Chi-Ming Che","cis-β-Bis(carbonyl) Ruthenium-Salen Complexes: X-ray Crystal Structures and Remarkable Catalytic Properties toward Asymmetric Intramolecular Alkene Cyclopropanation","Journal of the American Chemical Society","2009","131","","4405","4417","10.1021/ja8086399","","","0.71073","MoKα","","0.0873","0.0421","","","0.0928","0.0989","","","","","","0.76","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104094","13.807","0.002","37.015","0.005","25.127","0.005","90","","100.764","0.009","90","","12616","4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C128 H182 Br3 N20 O3 Tb -","- C128 H182 Br3 N20 O3 Tb -","- C512 H728 Br12 N80 O12 Tb4 -","4","1","","Francesca Branzoli; Pietro Carretta; Marta Filibian; Giorgio Zoppellaro; Michael J. Graf; Jose R. Galan-Mascaros; Olaf Fuhr; Susan Brink; Mario Ruben","Spin Dynamics in the Negatively Charged Terbium (III) Bis-phthalocyaninato Complex","Journal of the American Chemical Society","2009","131","","4387","4396","10.1021/ja808649g","","","0.3425","synchrotron","","0.1136","0.0679","","","0.1569","0.1753","","","","","","1.03","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104095","9.7076","0.0004","16.4786","0.0007","12.0871","0.0006","90","","101.802","0.004","90","","1892.67","0.15","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Hf -","- C24 H32 Hf -","- C96 H128 Hf4 -","4","1","","Torsten Beweries; Christian Fischer; Stephan Peitz; Vladimir V. Burlakov; Perdita Arndt; Wolfgang Baumann; Anke Spannenberg; Detlef Heller; Uwe Rosenthal","Combination of Spectroscopic Methods: In Situ NMR and UV/Vis Measurements To Understand the Formation of Group 4 Metallacyclopentanes from the Corresponding Metallacyclopropenes","Journal of the American Chemical Society","2009","131","","4463","4469","10.1021/ja809368s","","","0.71073","MoKα","","0.0227","0.017","","","0.0384","0.0393","","","","","","1.026","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104096","38.6584","0.0015","38.6584","0.0015","38.6584","0.0015","90","","90","","90","","57774","4","150","2","150","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C176 H532 Ge7 Mn12 N44 O360 W72 -","- C193.2 Ge7 Mn12 O286 W72 -","- C772.8 Ge28 Mn48 O1144 W288 -","4","0.0833333","","Johannes Thiel; Chris Ritchie; Carsten Streb; De-Liang Long; Leroy Cronin","Heteroatom-Controlled Kinetics of Switchable Polyoxometalate Frameworks","Journal of the American Chemical Society","2009","131","","4180","4181","10.1021/ja809422k","","","0.71073","MoKα","","0.0792","0.0572","","","0.1464","0.1545","","","","","","0.929","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104097","39.2899","0.0006","39.2899","0.0006","39.2899","0.0006","90","","90","","90","","60651.7","1.6","150","2","150","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C190 H538 Ge7 Mn12 N40 O386 W72 -","- C228 Ge7 Mn12 O275.2 W72 -","- C912 Ge28 Mn48 O1100.8 W288 -","4","0.0833333","","Johannes Thiel; Chris Ritchie; Carsten Streb; De-Liang Long; Leroy Cronin","Heteroatom-Controlled Kinetics of Switchable Polyoxometalate Frameworks","Journal of the American Chemical Society","2009","131","","4180","4181","10.1021/ja809422k","","","1.54184","CuKα","","0.1766","0.12","","","0.3157","0.3592","","","","","","1.084","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104098","42.1589","0.0008","42.1589","0.0008","52.5682","0.001","90","","90","","120","","80916","3","95","2","95","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C132 H66 O39 S6 Zn12 -","- C130.928 H66 O39 S7.072 Zn12 -","- C785.568 H396 O234 S42.432 Zn72 -","6","0.5","","Kyoungmoo Koh; Antek G. Wong-Foy; Adam J. Matzger","A Porous Coordination Copolymer with over 5000 m2/g BET Surface Area","Journal of the American Chemical Society","2009","131","","4184","4185","10.1021/ja809985t","","","1.54187","CuKα","","0.132","0.0773","","","0.1899","0.2136","","","","","","0.979","","","","has coordinates,has disorder","178786","2020-10-21","18:00:00",""
"4104099","15.619","0.004","13.467","0.003","18.643","0.005","90","","113.326","0.003","90","","3600.9","1.6","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H37 N5 -","- C48 H37 N5 -","- C192 H148 N20 -","4","1","","Yuta Kishimoto; Jiro Abe","A Fast Photochromic Molecule That Colors Only under UV Light","Journal of the American Chemical Society","2009","131","","4227","4229","10.1021/ja810032t","","","0.71073","MoKα","","0.0562","0.0414","","","0.0936","0.1014","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104100","5.6878","0.0002","5.6878","0.0002","8.2258","0.0002","90","","90","","90","","266.113","0.015","294","2","294","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- Eu K Na O5 Ta -","- Eu K Na O5 Ta -","- Eu2 K2 Na2 O10 Ta2 -","2","0.125","","Irina P. Roof; Mark D. Smith; Sangmoon Park; Hans-Conrad zur Loye","EuKNaTaO5: Crystal Growth, Structure and Photoluminescence Property","Journal of the American Chemical Society","2009","131","","4202","4203","10.1021/ja8100769","","","0.71073","MoKα","","0.0202","0.018","","","0.0389","0.0401","","","","","","1.168","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104101","6.2669","","9.2991","","15.9031","","69.1766","","80.9397","","86.5353","","855.423","","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C46 H36 N4 O4 -","2","1","","Itaru Nakamura; Yusuke Sato; Masahiro Terada","Platinum-Catalyzed Dehydroalkoxylation-Cyclization Cascade via N-O Bond Cleavage","Journal of the American Chemical Society","2009","131","","4198","4199","10.1021/ja900174t","","","0.7107","MoKα","","","0.0645","","","","0.2228","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104102","11.569","0.013","15.447","0.016","21.19","0.02","76.794","0.012","79.025","0.014","89.615","0.011","3617","7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H48 F10 N8 O11 Zn3 -","- C82 H48 F10 N8 O11 Zn3 -","- C82 H48 F10 N8 O11 Zn3 -","1","0.5","","Abraham M. Shultz; Omar K. Farha; Joseph T. Hupp; SonBinh T. Nguyen","A Catalytically Active, Permanently Microporous MOF with Metalloporphyrin Struts","Journal of the American Chemical Society","2009","131","","4204","4205","10.1021/ja900203f","","","0.71073","MoKα","","0.2097","0.1095","","","0.3315","0.3818","","","","","","1.095","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104103","14.4252","0.0008","14.2019","0.0008","26.7176","0.0015","90","","94.957","0.003","90","","5453","0.5","89","2","89","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H82 Mg2 N4 -","- C58 H82 Mg2 N4 -","- C232 H328 Mg8 N16 -","4","1","","Jacob Overgaard; Cameron Jones; Andreas Stasch; Bo B. Iversen","Experimental Electron Density Study of the Mg-Mg Bonding Character in a Magnesium(I) Dimer","Journal of the American Chemical Society","2009","131","","4208","4209","10.1021/ja900385u","","x-ray","0.71073","MoKα","","0.0475","0.037","","","","0.0678","","","","","","1.476","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104104","13.138","0.002","13.301","0.002","15.464","0.004","105.16","0.003","100.332","0.003","115.281","0.002","2223.5","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H144 K2 Mg2 N4 O8 -","- C88 H144 K2 Mg2 N4 O8 -","- C88 H144 K2 Mg2 N4 O8 -","1","0.5","","Yanyan Liu; Shaoguang Li; Xiao-Juan Yang; Peiju Yang; Biao Wu","Magnesium-Magnesium Bond Stabilized by a Doubly Reduced α-Diimine: Synthesis and Structure of [K(THF)3]2[LMg-MgL] (L = [(2,6-iPr2C6H3)NC(Me)]22-)","Journal of the American Chemical Society","2009","131","","4210","4211","10.1021/ja900568c","","","0.71073","MoKα","","0.1019","0.0633","","","0.1723","0.2011","","","","","","1.033","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104105","9.3464","0.0012","9.6524","0.0012","17.381","0.002","91.468","0.002","99.123","0.002","95.298","0.002","1540.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 F3 P2 Rh -","- C37 H30 F3 P2 Rh -","- C74 H60 F6 P4 Rh2 -","2","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3Rh(X)]: The Extreme Case of X = CF3","Journal of the American Chemical Society","2009","131","","4236","4238","10.1021/ja9005699","","","0.71073","MoKα","","0.05","0.0388","","","0.0935","0.0997","","","","","","1.031","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104106","9.1363","0.0005","37.72","0.002","9.7614","0.0006","90","","110.106","0.001","90","","3159","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 F3 P2 Rh -","- C37 H30 F3 P2 Rh -","- C148 H120 F12 P8 Rh4 -","4","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3Rh(X)]: The Extreme Case of X = CF3","Journal of the American Chemical Society","2009","131","","4236","4238","10.1021/ja9005699","","","0.71073","MoKα","","0.0996","0.0505","","","0.0992","0.1189","","","","","","1.04","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104107","19.926","0.003","12.729","0.0016","17.631","0.002","90","","90","","90","","4471.9","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H45 F3 P3 Rh -","- C55 H45 F3 P3 Rh -","- C220 H180 F12 P12 Rh4 -","4","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3Rh(X)]: The Extreme Case of X = CF3","Journal of the American Chemical Society","2009","131","","4236","4238","10.1021/ja9005699","","","0.71073","MoKα","","0.0333","0.027","","","0.0569","0.0598","","","","","","1.031","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104108","9.261","0.004","10.51","0.004","18.064","0.007","76.432","0.008","80.403","0.019","65.506","0.008","1550.5","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H30 F O P2 Rh -","- C37 H30 F O P2 Rh -","- C74 H60 F2 O2 P4 Rh2 -","2","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3Rh(X)]: The Extreme Case of X = CF3","Journal of the American Chemical Society","2009","131","","4236","4238","10.1021/ja9005699","","","0.71073","MoKα","","0.0427","0.034","","","0.0849","0.0899","","","","","","1.057","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104109","11.4848","0.0014","18.012","0.002","17.4575","0.0017","90","","114.692","0.006","90","","3281.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 F O P2 Rh -","- C40 H33 F O P2 Rh -","- C160 H132 F4 O4 P8 Rh4 -","4","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3Rh(X)]: The Extreme Case of X = CF3","Journal of the American Chemical Society","2009","131","","4236","4238","10.1021/ja9005699","","","0.71073","MoKα","","0.044","0.0318","","","0.0745","0.0806","","","","","","1.043","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104110","9.1637","0.0012","7.3171","0.0008","10.012","0.0014","90","","99.744","0.01","90","","661.64","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H18 Br N O -","- C13 H18 Br N O -","- C26 H36 Br2 N2 O2 -","2","1","","Jian-Hua Xie; Sheng Liu; Wei-Ling Kong; Wen-Ju Bai; Xiao-Chen Wang; Li-Xin Wang; Qi-Lin Zhou","Highly Enantioselective and Diastereoselective Synthesis of Chiral Amino Alcohols by Ruthenium-Catalyzed Asymmetric Hydrogenation of α-Amino Aliphatic Ketones","Journal of the American Chemical Society","2009","131","","4222","4223","10.1021/ja901058u","","","0.7107","MoKα","","0.0601","0.0273","","","0.0509","0.0594","","","","","","0.861","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104111","9.232","0.003","9.528","0.003","11.026","0.004","90","","93.783","0.005","90","","967.8","0.6","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H23 Br N2 O2 S -","- C19 H23 Br N2 O2 S -","- C38 H46 Br2 N4 O4 S2 -","2","1","","Jian-Hua Xie; Sheng Liu; Wei-Ling Kong; Wen-Ju Bai; Xiao-Chen Wang; Li-Xin Wang; Qi-Lin Zhou","Highly Enantioselective and Diastereoselective Synthesis of Chiral Amino Alcohols by Ruthenium-Catalyzed Asymmetric Hydrogenation of α-Amino Aliphatic Ketones","Journal of the American Chemical Society","2009","131","","4222","4223","10.1021/ja901058u","","","0.7107","MoKα","","0.0378","0.0255","","","0.0472","0.0492","","","","","","0.856","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104112","7.6356","0.0015","11.305","0.002","28.065","0.006","90","","93.03","0.03","90","","2419.2","0.8","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C112 H96 Cl8 N8 O16 -","8","2","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Polymer-Induced Heteronucleation of Tolfenamic Acid: Structural Investigation of a Pentamorph","Journal of the American Chemical Society","2009","131","","4554","4555","10.1021/ja806289a","","","0.71073","MoKα","","0.0488","0.0448","","","0.1169","0.1208","","","","","","1.057","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104113","7.5237","0.0008","14.3308","0.0016","17.592","0.002","103.68","0.002","98.253","0.002","93.038","0.002","1816.4","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C84 H72 Cl6 N6 O12 -","6","3","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Polymer-Induced Heteronucleation of Tolfenamic Acid: Structural Investigation of a Pentamorph","Journal of the American Chemical Society","2009","131","","4554","4555","10.1021/ja806289a","","","0.71073","MoKα","","0.0888","0.0723","","","0.1658","0.1752","","","","","","1.109","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104114","7.6488","0.0013","9.016","0.0015","9.4184","0.0015","107.385","0.003","92.062","0.003","101.662","0.003","603.81","0.17","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C28 H24 Cl2 N2 O4 -","2","1","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Polymer-Induced Heteronucleation of Tolfenamic Acid: Structural Investigation of a Pentamorph","Journal of the American Chemical Society","2009","131","","4554","4555","10.1021/ja806289a","","","0.71073","MoKα","","0.0933","0.0658","","","0.1257","0.1374","","","","","","1.037","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104115","13.8094","0.0009","15.6034","0.0008","15.091","0.001","90","","100.736","0.004","90","","3194.8","0.3","93.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C31 H29 Br4 Fe N4 O2 -","- C31 H29 Br4 Fe N4 O2 -","- C124 H116 Br16 Fe4 N16 O8 -","4","1","","Yuki Masuda; Masato Kuratsu; Shuichi Suzuki; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Yuko Hosokoshi; Xiao-Zheng Lan; Yuji Miyazaki; Akira Inaba; Keiji Okada","A New Ferrimagnet Based on a Radical-Substituted Radical Cation Salt","Journal of the American Chemical Society","2009","131","","4670","4673","10.1021/ja808093z","","","0.7107","MoKα","","","0.0443","","","","0.067","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104116","8.092","0.0002","9.351","0.0003","13.391","0.0004","96.331","0.0011","100.918","0.0011","94.608","0.0014","983.53","0.05","130","2","130","2","","","","","","","","7","P -1","-P 1","2","etsai1","etsai1","","- C20 H16 B F4 N4 O2 V -","- C20 H16 B F4 N4 O2 V -","- C40 H32 B2 F8 N8 O4 V2 -","2","1","","Christopher R. Waidmann; Xin Zhou; Erin A. Tsai; Werner Kaminsky; David A. Hrovat; Weston Thatcher Borden; James M. Mayer","Slow Hydrogen Atom Transfer Reactions of Oxo- and Hydroxo-Vanadium Compounds: The Importance of Intrinsic Barriers","Journal of the American Chemical Society","2009","131","","4729","4743","10.1021/ja808698x","","","0.71073","MoKα","","0.0592","0.0443","","","0.1132","0.1228","","","","","","1.047","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104117","11.677","0.002","16.749","0.003","20.009","0.004","90","","94.81","0.03","90","","3899.5","1.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C184 H176 N16 O24 -","8","2","","Pauline N. Wyrembak; Andrew D. Hamilton","Alkyne-Linked 2,2-Disubstituted-indolin-3-one Oligomers as Extended β-Strand Mimetics","Journal of the American Chemical Society","2009","131","","4566","4567","10.1021/ja809245t","","","0.71073","MoKα","","0.1773","0.0628","","","0.099","0.1213","","","","","","1.011","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104118","16.3702","0.0003","17.3857","0.0003","10.7245","0.0002","90","","106.041","0.001","90","","2933.43","0.09","93.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N3 O4 -","- C35 H31 N3 O4 -","- C140 H124 N12 O16 -","4","1","","Pauline N. Wyrembak; Andrew D. Hamilton","Alkyne-Linked 2,2-Disubstituted-indolin-3-one Oligomers as Extended β-Strand Mimetics","Journal of the American Chemical Society","2009","131","","4566","4567","10.1021/ja809245t","","","0.71075","MoKα","","","0.0952","","","","0.2779","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104119","18.2715","0.0003","18.2715","0.0003","17.0912","0.0003","90","","90","","90","","5705.86","0.17","143","2","143","2","","","","","","","","4","P 4","P 4","75","","","","- C28 H6 Cu2 O11 -","- C28 H6 Cu2 O11 -","- C112 H24 Cu8 O44 -","4","1","","Liqing Ma; David J. Mihalcik; Wenbin Lin","Highly Porous and Robust 4,8-Connected Metal-Organic Frameworks for Hydrogen Storage","Journal of the American Chemical Society","2009","131","","4610","4612","10.1021/ja809590n","","","1.54178","CuKα","","0.0697","0.0563","","","0.1473","0.1564","","","","","","0.936","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104120","18.2959","0.0003","18.2959","0.0003","17.1099","0.0003","90","","90","","90","","5727.37","0.17","200","2","200","2","","","","","","","","4","P 4","P 4","75","","","","- C28 H6 Cu2 O11 -","- C28 H6 Cu2 O11 -","- C112 H24 Cu8 O44 -","4","1","","Liqing Ma; David J. Mihalcik; Wenbin Lin","Highly Porous and Robust 4,8-Connected Metal-Organic Frameworks for Hydrogen Storage","Journal of the American Chemical Society","2009","131","","4610","4612","10.1021/ja809590n","","","1.54178","CuKα","","0.065","0.0546","","","0.1519","0.1606","","","","","","1.02","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104121","18.0725","0.0009","18.0725","0.0009","17.1854","0.0011","90","","90","","90","","5613","0.5","200","2","200","2","","","","","","","","4","P 4","P 4","75","","","","- C26 H6 Cu2 O11 -","- C26 H6 Cu2 O11 -","- C104 H24 Cu8 O44 -","4","1","","Liqing Ma; David J. Mihalcik; Wenbin Lin","Highly Porous and Robust 4,8-Connected Metal-Organic Frameworks for Hydrogen Storage","Journal of the American Chemical Society","2009","131","","4610","4612","10.1021/ja809590n","","","1.54178","CuKα","","0.1262","0.0644","","","0.1424","0.1614","","","","","","0.842","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104122","18.0648","0.0012","18.0648","0.0012","17.1132","0.0012","90","","90","","90","","5584.7","0.7","200","2","200","2","","","","","","","","4","P 4","P 4","75","","","","- C33 H6 Cu2 O11 -","- C33 H6 Cu2 O11 -","- C132 H24 Cu8 O44 -","4","1","","Liqing Ma; David J. Mihalcik; Wenbin Lin","Highly Porous and Robust 4,8-Connected Metal-Organic Frameworks for Hydrogen Storage","Journal of the American Chemical Society","2009","131","","4610","4612","10.1021/ja809590n","","","1.54178","CuKα","","0.1295","0.0774","","","0.1899","0.2113","","","","","","1.012","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104123","28.127","0.013","28.127","","8.879","0.0026","90","","90","","90","","7024","4","298","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C41 H28 N4 -","- C41 H28 N4 -","- C164 H112 N16 -","4","0.25","","Fernando J. Uribe-Romo; Joseph R. Hunt; Hiroyasu Furukawa; Cornelius Klöck; Michael O'Keeffe; Omar M. Yaghi","A Crystalline Imine-Linked 3-D Porous Covalent Organic Framework","Journal of the American Chemical Society","2009","131","","4570","4571","10.1021/ja8096256","powder diffraction","x-ray","1.54059","Kα~1~","","","","","","","","11.91","","11.91","","","","","","","has coordinates,has Fobs","178787","2020-10-21","18:00:00",""
"4104124","6.8576","0.0002","6.8576","0.0002","8.2251","0.0004","90","","90","","120","","334.98","0.02","295","","295","","","","","","","","","5","P 3 1 2","P 3 2","149","","","","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","1","0.166667","","Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff","Impact of Metallophilicity on ""Colossal"" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers","Journal of the American Chemical Society","2009","131","","4866","4871","10.1021/ja809631r","","","0.71073","MoKα","","0.033","0.019","","0.0225","0.0198","0.0193","","","","","","0.4331","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104125","6.7652","0.0001","6.7652","0.0001","8.3094","0.0004","90","","90","","120","","329.353","0.017","100","","100","","","","","","","","","5","P 3 1 2","P 3 2","149","","","","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","1","0.166667","","Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff","Impact of Metallophilicity on ""Colossal"" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers","Journal of the American Chemical Society","2009","131","","4866","4871","10.1021/ja809631r","","","0.71073","MoKα","","0.0266","0.0194","","0.0212","0.02","0.0194","","","","","","0.47","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104126","6.8107","0.0001","6.8107","0.0001","8.2665","0.0003","90","","90","","120","","332.075","0.014","205","","205","","","","","","","","","5","P 3 1 2","P 3 2","149","","","","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","1","0.166667","","Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff","Impact of Metallophilicity on ""Colossal"" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers","Journal of the American Chemical Society","2009","131","","4866","4871","10.1021/ja809631r","","","0.71073","MoKα","","0.032","0.0185","","0.018","0.0161","0.0156","","","","","","0.4574","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104127","6.9098","0.0002","6.9098","0.0002","8.1724","0.0004","90","","90","","120","","337.92","0.02","395","","395","","","","","","","","","5","P 3 1 2","P 3 2","149","","","","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","1","0.166667","","Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff","Impact of Metallophilicity on ""Colossal"" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers","Journal of the American Chemical Society","2009","131","","4866","4871","10.1021/ja809631r","","","0.71073","MoKα","","0.0575","0.0244","","0.0356","0.0246","0.0233","","","","","","0.5305","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104128","6.2981","0.0014","7.551","0.0016","25.114","0.006","90","","90","","90","","1194.3","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cl N O4 -","- C12 H10 Cl N O4 -","- C48 H40 Cl4 N4 O16 -","4","1","","Barry M. Trost; Julien Hitce","Direct Asymmetric Michael Addition to Nitroalkenes: Vinylogous Nucleophilicity under Dinuclear Zinc Catalysis","Journal of the American Chemical Society","2009","131","","4572","4573","10.1021/ja809723u","","","0.71073","MoKα","","0.0304","0.0275","","","0.0692","0.0706","","","","","","1.053","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104129","6.064","0.0009","10.0246","0.0015","19.24","0.003","90","","90","","90","","1169.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","08237b","","","- C12 H13 N O6 -","- C12 H13 N O6 -","- C48 H52 N4 O24 -","4","1","","Barry M. Trost; Julien Hitce","Direct Asymmetric Michael Addition to Nitroalkenes: Vinylogous Nucleophilicity under Dinuclear Zinc Catalysis","Journal of the American Chemical Society","2009","131","","4572","4573","10.1021/ja809723u","","","0.71073","MoKα","","0.0337","0.0293","","","0.0752","0.0785","","","","","","1.048","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104130","9.4272","0.0019","20.353","0.004","27.946","0.006","90","","90","","90","","5362","1.9","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H65 N7 O10 -","- C50 H65 N7 O10 -","- C200 H260 N28 O40 -","4","1","","Hayato Ishikawa; David A. Colby; Shigeki Seto; Porino Va; Annie Tam; Hiroyuki Kakei; Thomas J. Rayl; Inkyu Hwang; Dale L. Boger","Total Synthesis of Vinblastine, Vincristine, Related Natural Products, and Key Structural Analogues","Journal of the American Chemical Society","2009","131","","4904","4916","10.1021/ja809842b","","","0.71073","MoKα","","0.1648","0.0997","","","0.24","0.2796","","","","","","1.075","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104131","8.341","0.0002","17.2024","0.0004","27.0985","0.0006","90","","91.702","0.001","90","","3886.52","0.16","127.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C51 H50 Zr -","- C51 H50 Zr -","- C204 H200 Zr4 -","4","1","","Adam D. Miller; John F. Tannaci; Samuel A. Johnson; Hyuk Lee; Jennifer L. McBee; T. Don Tilley","Mesityl Alkyne Substituents for Control of Regiochemistry and Reversibility in Zirconocene Couplings: New Synthetic Strategies for Unsymmetrical Zirconacyclopentadienes and Conjugated Polymers","Journal of the American Chemical Society","2009","131","","4917","4927","10.1021/ja809896t","","","0.7107","MoKα","","","0.0403","","","","0.045","","","","","","1.4","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104132","20.786","0.007","17.808","0.006","8.229","0.003","90","","90","","90","","3046","1.8","140","2","140","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C38 H46 Zr -","- C38 H46 Zr -","- C152 H184 Zr4 -","4","0.5","","Adam D. Miller; John F. Tannaci; Samuel A. Johnson; Hyuk Lee; Jennifer L. McBee; T. Don Tilley","Mesityl Alkyne Substituents for Control of Regiochemistry and Reversibility in Zirconocene Couplings: New Synthetic Strategies for Unsymmetrical Zirconacyclopentadienes and Conjugated Polymers","Journal of the American Chemical Society","2009","131","","4917","4927","10.1021/ja809896t","","","0.71073","MoKα","","0.0973","0.0371","","","0.0641","0.0719","","","","","","0.708","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104133","10.4214","0.0015","7.429","0.0011","14.284","0.002","90","","92.094","0.002","90","","1105.1","0.3","146","2","146","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 -","- C30 H26 -","- C60 H52 -","2","0.5","","Adam D. Miller; John F. Tannaci; Samuel A. Johnson; Hyuk Lee; Jennifer L. McBee; T. Don Tilley","Mesityl Alkyne Substituents for Control of Regiochemistry and Reversibility in Zirconocene Couplings: New Synthetic Strategies for Unsymmetrical Zirconacyclopentadienes and Conjugated Polymers","Journal of the American Chemical Society","2009","131","","4917","4927","10.1021/ja809896t","","","0.71073","MoKα","","0.0826","0.0556","","","0.1423","0.1563","","","","","","1.169","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104134","8.35","0.003","11.514","0.004","17.134","0.007","74.7","0.005","80.995","0.005","79.982","0.006","1554","1","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H46 Zr -","- C38 H46 Zr -","- C76 H92 Zr2 -","2","1","","Adam D. Miller; John F. Tannaci; Samuel A. Johnson; Hyuk Lee; Jennifer L. McBee; T. Don Tilley","Mesityl Alkyne Substituents for Control of Regiochemistry and Reversibility in Zirconocene Couplings: New Synthetic Strategies for Unsymmetrical Zirconacyclopentadienes and Conjugated Polymers","Journal of the American Chemical Society","2009","131","","4917","4927","10.1021/ja809896t","","","0.71073","MoKα","","0.0998","0.0555","","","0.1149","0.1313","","","","","","0.972","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104135","20.1802","0.0005","28.0519","0.0008","29.3278","0.0008","90","","108.36","0.01","90","","15757.1","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C152 H135 F48 N25 O4 P8 -","- C152 H135 F48 N25 O4 P8 -","- C608 H540 F192 N100 O16 P32 -","4","1","","Asha Brown; Kathleen M. Mullen; Jay Ryu; Michał J. Chmielewski; Sérgio M. Santos; Vitor Felix; Amber L. Thompson; John E. Warren; Sofia I. Pascu; Paul D. Beer","Interlocked Host Anion Recognition by an Indolocarbazole-Containing [2]Rotaxane","Journal of the American Chemical Society","2009","131","","4937","4952","10.1021/ja809905x","","","0.6942","synchrotron","","0.2148","0.1422","","0.1927","0.157","0.157","","","","","","1.0987","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104136","23.8889","0.0002","8.2835","0.0001","29.5789","0.0003","90","","107.818","0.0004","90","","5572.41","0.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H48 F24 N8 O2 P4 -","- C46 H48 F24 N8 O2 P4 -","- C184 H192 F96 N32 O8 P16 -","4","1","","Asha Brown; Kathleen M. Mullen; Jay Ryu; Michał J. Chmielewski; Sérgio M. Santos; Vitor Felix; Amber L. Thompson; John E. Warren; Sofia I. Pascu; Paul D. Beer","Interlocked Host Anion Recognition by an Indolocarbazole-Containing [2]Rotaxane","Journal of the American Chemical Society","2009","131","","4937","4952","10.1021/ja809905x","","","0.71073","MoKα","","0.1427","0.0737","","0.1133","0.0739","0.0739","","","","","","0.9625","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104137","17.3377","0.0006","17.3377","0.0006","14.7455","0.0005","90","","90","","90","","4432.4","0.3","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H80 Cu4 N8 O26 -","- C60 H80 Cu4 N8 O26 -","- C120 H160 Cu8 N16 O52 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.0998","0.0699","","","0.1511","0.1662","","","","","","1.074","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104138","17.4666","0.0007","17.4666","0.0007","14.7514","0.0006","90","","90","","90","","4500.4","0.3","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H80 Cu4 N8 O32 -","- C60 H80 Cu4 N8 O32 -","- C120 H160 Cu8 N16 O64 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.1004","0.0749","","","0.1591","0.172","","","","","","1.105","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104139","17.363","0.003","17.363","0.003","14.709","0.003","90","","90","","90","","4434.4","1.4","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H80 Cu4 N8 O36 -","- C60 H80 Cu4 N8 O36 -","- C120 H160 Cu8 N16 O72 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.1234","0.0722","","","0.1651","0.1916","","","","","","1.033","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104140","17.5453","0.0011","17.5453","0.0011","14.7194","0.0011","90","","90","","90","","4531.2","0.5","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H80 Cu4 N8 O24 -","- C60 H80 Cu4 N8 O24 -","- C120 H160 Cu8 N16 O48 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.1035","0.0482","","","0.1031","0.1165","","","","","","0.881","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104141","17.267","0.002","17.267","0.002","14.68","0.003","90","","90","","90","","4376.8","1.1","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H80 Cu4 N8 O26 -","- C60 H80 Cu4 N8 O26 -","- C120 H160 Cu8 N16 O52 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.1016","0.0767","","","0.1919","0.2101","","","","","","1.062","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104142","17.3525","0.0006","17.3525","0.0006","14.7188","0.0005","90","","90","","90","","4432","0.3","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C15 H20 Cu N2 O9 -","- C15 H20 Cu N2 O9 -","- C120 H160 Cu8 N16 O72 -","8","1","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.0655","0.0511","","","0.1193","0.1255","","","","","","1.045","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104143","17.1318","0.0005","17.1318","0.0005","15.0575","0.0005","90","","90","","90","","4419.4","0.2","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C56 H80 Cu4 N8 O30 -","- C56 H80 Cu4 N8 O30 -","- C112 H160 Cu8 N16 O60 -","2","0.25","","Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh","Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration","Journal of the American Chemical Society","2009","131","","4586","4587","10.1021/ja900416e","","","0.71073","MoKα","","0.0814","0.0643","","","0.1721","0.1839","","","","","","1.088","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104144","10.696","0.009","11.903","0.009","17.801","0.014","96.228","0.013","102.202","0.012","99.063","0.014","2164","3","193.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H55 N3 O6 Rh2 S3 -","- C41 H31 N3 O6 Rh2 S3 -","- C82 H62 N6 O12 Rh4 S6 -","2","1","","Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","Hydrogen- and Oxygen-Driven Interconversion between Imido-Bridged Dirhodium(III) and Amido-Bridged Dirhodium(II) Complexes","Journal of the American Chemical Society","2009","131","","5001","5009","10.1021/ja900650j","","","0.7107","MoKα","","","0.1067","","","","0.2378","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104145","4.962","0.003","13.451","0.005","34.045","0.01","90","","90","","90","","2272.3","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","benzyl-6-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-ylcarbamate","","- C24.44 H25.32 Cl N2 O2.72 -","- C23 H21 Cl N2 O2 -","- C92 H84 Cl4 N8 O8 -","4","1","","Hua Liu; Guillaume Dagousset; Géraldine Masson; Pascal Retailleau; Jieping Zhu","Chiral Brønsted Acid-Catalyzed Enantioselective Three-Component Povarov Reaction","Journal of the American Chemical Society","2009","131","","4598","4599","10.1021/ja900806q","","","0.71069","MoKα","","0.0823","0.0656","","","0.1635","0.1749","","","","","","1.105","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104146","15.529","0.003","17.296","0.004","20.897","0.004","90","","90","","90","","5613","2","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H43 N3 Si -","- C29 H43 N3 Si -","- C232 H344 N24 Si8 -","8","1","","Anukul Jana; Carola Schulzke; Herbert W. Roesky","Oxidative Addition of Ammonia at a Silicon(II) Center and an Unprecedented Hydrogenation Reaction of Compounds with Low-Valent Group 14 Elements Using Ammonia Borane","Journal of the American Chemical Society","2009","131","","4600","4601","10.1021/ja900880z","","","0.71073","MoKα","","0.0782","0.0625","","","0.1443","0.1523","","","","","","1.112","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104147","13.512","0.0002","22.591","0.0003","14.469","0.0002","90","","92.453","0.001","90","","4412.61","0.11","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H51 B F4 N2 O P2 Ru -","- C48 H51 B F4 N2 O P2 Ru -","- C192 H204 B4 F16 N8 O4 P8 Ru4 -","4","1","","L. Jonas L. Häller; Michael J. Page; Stuart A. Macgregor; Mary F. Mahon; Michael K. Whittlesey","Activation of an Alkyl C-H Bond Geminal to an Agostic Interaction: An Unusual Mode of Base-Induced C-H Activation","Journal of the American Chemical Society","2009","131","","4604","4605","10.1021/ja900953d","","","0.71073","MoKα","","0.1118","0.0777","","","0.1426","0.1537","","","","","","1.212","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104148","10.951","0.0001","12.577","0.0002","18.74","0.0004","104.068","0.001","97.078","0.001","110.121","0.001","2289.44","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H58 N2 O2 P2 Ru -","- C52 H58 N2 O2 P2 Ru -","- C104 H116 N4 O4 P4 Ru2 -","2","1","","L. Jonas L. Häller; Michael J. Page; Stuart A. Macgregor; Mary F. Mahon; Michael K. Whittlesey","Activation of an Alkyl C-H Bond Geminal to an Agostic Interaction: An Unusual Mode of Base-Induced C-H Activation","Journal of the American Chemical Society","2009","131","","4604","4605","10.1021/ja900953d","","","0.71073","MoKα","","0.0605","0.0418","","","0.0976","0.1062","","","","","","1.027","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104149","9.0526","0.001","14.0417","0.0016","28.238","0.003","90","","99.027","0.002","90","","3545","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H60 Os P Sn -","- C34 H61 Os P Sn -","- C136 H244 Os4 P4 Sn4 -","4","1","","Paul G. Hayes; Christopher W. Gribble; Rory Waterman; T. Don Tilley","A Hydrogen-Substituted Osmium Stannylene Complex: Isomerization to a Metallostannylene Complex via an Unusual α-Hydrogen Migration from Tin to Osmium","Journal of the American Chemical Society","2009","131","","4606","4607","10.1021/ja901050m","","","0.71073","MoKα","","0.0704","0.0481","","","0.1081","0.1165","","","","","","0.924","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104150","36.34","0.06","10.129","0.016","11.281","0.018","90","","97.7","0.04","90","","4115","11","202","2","202","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C47 H55 N3 -","- C47 H55 N3 -","- C188 H220 N12 -","4","0.5","","Titel Jurca; Justin Lummiss; Tara J. Burchell; Serge I. Gorelsky; Darrin S. Richeson","Capturing In+ Monomers in a Neutral Weakly Coordinating Environment","Journal of the American Chemical Society","2009","131","","4608","4609","10.1021/ja901128q","","","0.71073","MoKα","","0.1037","0.0572","","","0.1307","0.1543","","","","","","1.054","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104151","11.344","0.002","14.775","0.003","15.361","0.003","78.425","0.003","69.913","0.003","74.98","0.003","2317.6","0.8","202","2","202","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H55 F3 In N3 O3 S -","- C48 H55 F3 In N3 O3 S -","- C96 H110 F6 In2 N6 O6 S2 -","2","1","","Titel Jurca; Justin Lummiss; Tara J. Burchell; Serge I. Gorelsky; Darrin S. Richeson","Capturing In+ Monomers in a Neutral Weakly Coordinating Environment","Journal of the American Chemical Society","2009","131","","4608","4609","10.1021/ja901128q","","","0.71073","MoKα","","0.1052","0.0737","","","0.1856","0.2024","","","","","","1.054","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104152","18.2104","0.0013","16.5153","0.0012","20.0394","0.0015","90","","100.628","0.001","90","","5923.5","0.7","202","2","202","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57.5 H67 Cl6 In2 N3 -","- C57.5 H67 Cl6 In2 N3 -","- C230 H268 Cl24 In8 N12 -","4","1","","Titel Jurca; Justin Lummiss; Tara J. Burchell; Serge I. Gorelsky; Darrin S. Richeson","Capturing In+ Monomers in a Neutral Weakly Coordinating Environment","Journal of the American Chemical Society","2009","131","","4608","4609","10.1021/ja901128q","","","0.71073","MoKα","","0.1669","0.0646","","","0.135","0.176","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104153","10.116","0.0019","13.004","0.003","10.385","0.002","90","","97.72","0.004","90","","1353.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","undeca-methoxo-octa-oxo-hexavanadium","","- C11 H33 O19 V6 -","- C11 H33 O19 V6 -","- C22 H66 O38 V12 -","2","0.5","","Charles Daniel; Hans Hartl","A Mixed-Valence VIV/VV Alkoxo-polyoxovanadium Cluster Series [V6O8(OCH3)11]n+/-: Exploring the Influence of a μ-Oxo Ligand in a Spin Frustrated Structure","Journal of the American Chemical Society","2009","131","","5101","5114","10.1021/ja8073648","","","0.71073","MoKα","","0.0385","0.0318","","","0.0819","0.0887","","","","","","0.898","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104154","10.074","0.002","13.066","0.003","15.085","0.003","90.041","0.005","103.88","0.005","91.872","0.005","1926.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Dodeca-methoxo-hepta-oxo-hexa-vanadium-hexochloroantimonat","","- C12 H35 Cl8 O19 Sb V6 -","- C12 H35 Cl8 O19 Sb V6 -","- C24 H70 Cl16 O38 Sb2 V12 -","2","1","","Charles Daniel; Hans Hartl","A Mixed-Valence VIV/VV Alkoxo-polyoxovanadium Cluster Series [V6O8(OCH3)11]n+/-: Exploring the Influence of a μ-Oxo Ligand in a Spin Frustrated Structure","Journal of the American Chemical Society","2009","131","","5101","5114","10.1021/ja8073648","","","0.71073","MoKα","","0.0884","0.0544","","","0.1305","0.1434","","","","","","0.977","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104155","6.6344","0.0002","10.9383","0.0002","27.119","0.0006","90","","90","","90","","1968","0.08","296","2","296","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","4-O-benzyl-6-O-tert-butyldimethylsilyl-D-(-)-glucal","","","- C19 H30 O4 Si -","- C19 H30 O4 Si -","- C76 H120 O16 Si4 -","4","1","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","1.54178","CuKα","","0.0273","0.0265","","","0.0683","0.0686","","","","","","1.055","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104156","4.57","0.0001","13.9439","0.0003","21.6237","0.0005","90","","90","","90","","1377.94","0.05","296","2","296","2","","","","","","","synthesized","3","P 21 21 21","P 2ac 2ab","19","4-O-benzyl-D-(-)-glucal","","","- C15 H18 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","1.54178","CuKα","","0.0521","0.0504","","","0.1476","0.15","","","","","","0.935","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104157","6.1718","0.0004","7.5275","0.0005","13.9663","0.0006","91.577","0.001","92.433","0.005","91.599","0.005","647.74","0.07","100","2","100","2","","","","","","","synthesized","4","P 1","P 1","1","1,6-Anhydro-2-iodo-4-O-benzyl-2-deoxy-β-D-glucopyranose","","","- C13 H15 I O4 -","- C13 H15 I O4 -","- C26 H30 I2 O8 -","2","2","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","0.71073","MoKα","","0.016","0.016","","","0.0584","0.0584","","","","","","1.303","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104158","6.7203","0.0003","10.1187","0.0004","18.5765","0.0008","90","","90","","90","","1263.21","0.09","100","2","100","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","1,6-anhydro-2-azido-4-O-benzyl-2-deoxy-β-D-glucopyranose","","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C52 H60 N12 O16 -","4","1","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","1.54178","CuKα","","0.0259","0.0259","","","0.066","0.066","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104159","10.9272","0.0012","19.943","0.002","11.0323","0.0011","90","","110.217","0.006","90","","2256.1","0.4","101","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-O-Benzyl-1,6:3,4-dianhydro-β-D-altropyranose","","","- C13 H14 O4 -","- C13 H14 O4 -","- C104 H112 O32 -","8","4","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","0.71073","MoKα","","0.0961","0.082","","","0.2267","0.2494","","","","","","1.098","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104160","17.5877","0.0002","21.7941","0.0002","5.7479","0.0001","90","","90","","90","","2203.22","0.05","291","2","291","2","","","","","","","synthesized","4","P 21 21 2","P 2 2ab","18","Azido tetraacetyl 2-deoxy-β-D-glucopyranose","","","- C18 H22 N4 O9 -","- C18 H22 N4 O9 -","- C72 H88 N16 O36 -","4","1","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","1.54178","CuKα","","0.0398","0.0324","","","0.0856","0.0899","","","","","","1.045","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104161","36.104","0.005","11.621","0.005","16.841","0.005","90","0.005","97.646","0.005","90","0.005","7003","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 N4 S2 Zn -","- C41 H36 N4 S2 Zn -","- C328 H288 N32 S16 Zn8 -","8","1","","Yuanhao Gao; Jieying Wu; Yiming Li; Pingping Sun; Hongping Zhou; Jiaxiang Yang; Shengyi Zhang; Baokang Jin; Yupeng Tian","A Sulfur-Terminal Zn(II) Complex and Its Two-Photon Microscopy Biological Imaging Application","Journal of the American Chemical Society","2009","131","","5208","5213","10.1021/ja808606d","","","0.71069","MoKα","","0.0934","0.0618","","","0.1977","0.2198","","","","","","1.433","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104162","13.119","0.005","22.715","0.008","11.114","0.004","90","","106.552","0.005","90","","3175","2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 N4 -","- C41 H36 N4 -","- C164 H144 N16 -","4","1","","Yuanhao Gao; Jieying Wu; Yiming Li; Pingping Sun; Hongping Zhou; Jiaxiang Yang; Shengyi Zhang; Baokang Jin; Yupeng Tian","A Sulfur-Terminal Zn(II) Complex and Its Two-Photon Microscopy Biological Imaging Application","Journal of the American Chemical Society","2009","131","","5208","5213","10.1021/ja808606d","","","0.71073","MoKα","","0.1646","0.0666","","","0.1738","0.2755","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104163","9.1381","0.0018","9.1761","0.0018","13.632","0.003","103.2","0.03","91.95","0.03","114.33","0.03","1003.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H66 Ge2 Si8 -","- C22 H66 Ge2 Si8 -","- C22 H66 Ge2 Si8 -","1","0.5","","Harald Wagner; Judith Baumgartner; Thomas Müller; Christoph Marschner","Shuttling Germanium Atoms into Branched Polysilanes","Journal of the American Chemical Society","2009","131","","5022","5023","10.1021/ja809270m","","","0.71073","MoKα","","0.0528","0.0439","","","0.1157","0.1191","","","","","","0.937","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104164","9.1291","0.0018","9.1306","0.0018","13.694","0.003","92.2","0.03","103.02","0.03","114.18","0.03","1003.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H66 Ge4 Si6 -","- C22 H66 Ge4 Si6 -","- C22 H66 Ge4 Si6 -","1","0.5","","Harald Wagner; Judith Baumgartner; Thomas Müller; Christoph Marschner","Shuttling Germanium Atoms into Branched Polysilanes","Journal of the American Chemical Society","2009","131","","5022","5023","10.1021/ja809270m","","","0.71073","MoKα","","0.0425","0.0349","","","0.0865","0.0901","","","","","","1.062","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104165","7.6254","0.0002","7.8637","0.0002","16.4311","0.0004","101.522","0.0011","90.9684","0.0011","97.7622","0.0011","955.59","0.04","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H51 F S Si2 -","- C42 H51 F S Si2 -","- C42 H51 F S Si2 -","1","0.5","","Ming L. Tang; Anna D. Reichardt; Peng Wei; Zhenan Bao","Correlating Carrier Type with Frontier Molecular Orbital Energy Levels in Organic Thin Film Transistors of Functionalized Acene Derivatives","Journal of the American Chemical Society","2009","131","","5264","5273","10.1021/ja809659b","","","0.71073","MoKα","","0.0949","0.0676","","","0.1704","0.1877","","","","","","1.022","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104166","7.4762","0.0005","8.045","0.0006","16.43","0.0011","102.104","0.004","90.77","0.004","96.343","0.004","959.63","0.12","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H47 F5 S Si2 -","- C42 H47 F5 S Si2 -","- C42 H47 F5 S Si2 -","1","0.5","","Ming L. Tang; Anna D. Reichardt; Peng Wei; Zhenan Bao","Correlating Carrier Type with Frontier Molecular Orbital Energy Levels in Organic Thin Film Transistors of Functionalized Acene Derivatives","Journal of the American Chemical Society","2009","131","","5264","5273","10.1021/ja809659b","","","1.54178","CuKα","","0.0865","0.0634","","","0.1563","0.1793","","","","","","1.029","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104167","10.791","0.001","13.32","0.001","28.398","0.003","90","","91.066","0.002","90","","4081.1","0.7","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H21 B F20 Ti -","- C40 H21 B F20 Ti -","- C160 H84 B4 F80 Ti4 -","4","1","","Edwin Otten; Aurora A. Batinas; Auke Meetsma; Bart Hessen","Versatile Coordination of Cyclopentadienyl-Arene Ligands and Its Role in Titanium-Catalyzed Ethylene Trimerization","Journal of the American Chemical Society","2009","131","","5298","5312","10.1021/ja810089f","","","0.71073","MoKα","","0.116","0.0707","","","0.1726","0.1916","","","","","","1.041","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104168","12.0159","0.0009","19.541","0.001","15.977","0.001","90","","91.83","0.001","90","","3749.5","0.4","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H25 B F20 Ti -","- C42 H25 B F20 Ti -","- C168 H100 B4 F80 Ti4 -","4","1","","Edwin Otten; Aurora A. Batinas; Auke Meetsma; Bart Hessen","Versatile Coordination of Cyclopentadienyl-Arene Ligands and Its Role in Titanium-Catalyzed Ethylene Trimerization","Journal of the American Chemical Society","2009","131","","5298","5312","10.1021/ja810089f","","","0.71073","MoKα","","0.0954","0.0505","","","0.1036","0.1181","","","","","","1.021","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104169","14.173","0.003","18.378","0.003","29.769","0.005","90","","97.089","0.004","90","","7695","2","100","1","100","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H27 B F20 Ti -","- C43 H27 B F20 Ti -","- C344 H216 B8 F160 Ti8 -","8","2","","Edwin Otten; Aurora A. Batinas; Auke Meetsma; Bart Hessen","Versatile Coordination of Cyclopentadienyl-Arene Ligands and Its Role in Titanium-Catalyzed Ethylene Trimerization","Journal of the American Chemical Society","2009","131","","5298","5312","10.1021/ja810089f","","","0.71073","MoKα","","0.1613","0.0636","","","0.1156","0.1449","","","","","","0.95","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104170","9.647","0.0008","12.96","0.001","17.683","0.002","102.781","0.001","90.754","0.002","96.832","0.002","2139","0.3","100","1","100","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C45 H33 B F20 Si Ti -","- C45 H33 B F20 Si Ti -","- C90 H66 B2 F40 Si2 Ti2 -","2","1","","Edwin Otten; Aurora A. Batinas; Auke Meetsma; Bart Hessen","Versatile Coordination of Cyclopentadienyl-Arene Ligands and Its Role in Titanium-Catalyzed Ethylene Trimerization","Journal of the American Chemical Society","2009","131","","5298","5312","10.1021/ja810089f","","","0.71073","MoKα","","0.0967","0.0559","","","0.116","0.1311","","","","","","1.026","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104171","15.902","0.002","17.78","0.002","17.1","0.002","90","","115.144","0.002","90","","4376.7","0.9","100","1","100","1","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H24 B Br F20 O2 Ti -","- C48 H24 B Br F20 O2 Ti -","- C192 H96 B4 Br4 F80 O8 Ti4 -","4","1","","Edwin Otten; Aurora A. Batinas; Auke Meetsma; Bart Hessen","Versatile Coordination of Cyclopentadienyl-Arene Ligands and Its Role in Titanium-Catalyzed Ethylene Trimerization","Journal of the American Chemical Society","2009","131","","5298","5312","10.1021/ja810089f","","","0.71073","MoKα","","0.0798","0.0495","","","0.1131","0.1261","","","","","","1.036","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104172","15.858","0.002","15.996","0.002","20.876","0.002","90","","104.36","0.002","90","","5130.1","1","100","1","100","1","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H40 B F20 N2 V -","- C53 H40 B F20 N2 V -","- C212 H160 B4 F80 N8 V4 -","4","1","","Edwin Otten; Aurora A. Batinas; Auke Meetsma; Bart Hessen","Versatile Coordination of Cyclopentadienyl-Arene Ligands and Its Role in Titanium-Catalyzed Ethylene Trimerization","Journal of the American Chemical Society","2009","131","","5298","5312","10.1021/ja810089f","","","0.71073","MoKα","","0.0597","0.0432","","","0.1041","0.1106","","","","","","1.026","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104173","11.5182","0.0008","12.3831","0.0008","12.4144","0.0008","99.737","0.003","92.627","0.004","92.065","0.004","1741.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H49.5 Cl2 N2 O Ru -","- C36.5 H49.5 Cl2 N2 O Ru -","- C73 H99 Cl4 N4 O2 Ru2 -","2","1","","Kevin M. Kuhn; Jean-Baptiste Bourg; Cheol K. Chung; Scott C. Virgil; Robert H. Grubbs","Effects of NHC-Backbone Substitution on Efficiency in Ruthenium-Based Olefin Metathesis","Journal of the American Chemical Society","2009","131","","5313","5320","10.1021/ja900067c","","","0.71073","MoKα","","0.0797","0.0605","","","0.0916","0.0928","","","","","","2.665","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4104174","9.1757","0.0003","10.613","0.0004","16.2638","0.0006","85.33","0.001","77.265","0.001","72.206","0.001","1470.76","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H38 Cl2 N2 O Ru -","- C31 H38 Cl2 N2 O Ru -","- C62 H76 Cl4 N4 O2 Ru2 -","2","1","","Kevin M. Kuhn; Jean-Baptiste Bourg; Cheol K. Chung; Scott C. Virgil; Robert H. Grubbs","Effects of NHC-Backbone Substitution on Efficiency in Ruthenium-Based Olefin Metathesis","Journal of the American Chemical Society","2009","131","","5313","5320","10.1021/ja900067c","","","0.71073","MoKα","","0.0677","0.0444","","","0.0893","0.0937","","","","","","1.187","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4104175","9.2776","0.0002","10.3304","0.0003","12.6608","0.0003","98.689","0.002","101.268","0.002","101.819","0.002","1141.5","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H80 N2 O4 Pd -","- C46 H80 N2 O4 Pd -","- C46 H80 N2 O4 Pd -","1","0.5","","Yang-Hui Zhang; Bing-Feng Shi; Jin-Quan Yu","Pd(II)-Catalyzed Olefination of Electron-Deficient Arenes Using 2,6-Dialkylpyridine Ligands","Journal of the American Chemical Society","2009","131","","5072","5074","10.1021/ja900327e","","","1.54178","CuKα","","0.0645","0.0627","","","0.162","0.1642","","","","","","1.134","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104176","11.853","0.004","19.502","0.007","9.979","0.003","90","","106.351","0.007","90","","2213.4","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 N2 O5 -","- C21 H28 N2 O5 -","- C84 H112 N8 O20 -","4","1","","Jubi John; Indu U.; Eringathodi Suresh; K. V. Radhakrishnan","Palladium Catalyzed Tandem Ring Opening-Ring Closing Reaction of Diazabicyclic Alkenes: A Facile One Pot Strategy for Cyclopentannulation of Heterocycles","Journal of the American Chemical Society","2009","131","","5042","5043","10.1021/ja900477e","","","0.71073","MoKα","","0.1741","0.1168","","","0.2187","0.2431","","","","","","1.235","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104177","10.5676","0.0018","13.375","0.002","15.023","0.003","103.159","0.003","95.365","0.002","106.548","0.002","1953.3","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H19 N O S -","- C26 H19 N O S -","- C104 H76 N4 O4 S4 -","4","4","","Jonathan Clayden; Stephen P. Fletcher; Joseph J. W. McDouall; Stephen J. M. Rowbottom","Controlling Axial Conformation in 2-Arylpyridines and 1-Arylisoquinolines: Application to the Asymmetric Synthesis of QUINAP by Dynamic Thermodynamic Resolution","Journal of the American Chemical Society","2009","131","","5331","5343","10.1021/ja900722q","","","0.71073","MoKα","","0.0322","0.0316","","","0.0795","0.08","","","","","","1.047","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104178","18.2859","0.0007","11.0179","0.0005","14.8299","0.0006","90","","108.605","0.002","90","","2831.7","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl3 N3 O9 S -","- C26 H26 Cl3 N3 O9 S -","- C104 H104 Cl12 N12 O36 S4 -","4","1","","Eduardas Skucas; Jason R. Zbieg; Michael J. Krische","anti-Aminoallylation of Aldehydes via Ruthenium-Catalyzed Transfer Hydrogenative Coupling of Sulfonamido Allenes: 1,2-Aminoalcohols","Journal of the American Chemical Society","2009","131","","5054","5055","10.1021/ja900827p","","","0.71069","MoKα","","0.0988","0.0545","","","0.1146","0.1321","","","","","","1.063","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104179","15.7991","0.0012","8.3868","0.0009","21.179","0.002","90","","90","","90","","2806.3","0.5","153","2","153","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C112 H152 N8 O24 -","8","2","","Eduardas Skucas; Jason R. Zbieg; Michael J. Krische","anti-Aminoallylation of Aldehydes via Ruthenium-Catalyzed Transfer Hydrogenative Coupling of Sulfonamido Allenes: 1,2-Aminoalcohols","Journal of the American Chemical Society","2009","131","","5054","5055","10.1021/ja900827p","","","0.7107","MoKα","","0.158","0.0895","","","0.1909","0.2199","","","","","","1.2","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104180","8.3047","0.0009","20.426","0.002","14.9273","0.0015","90","","99.6683","0.0014","90","","2496.2","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H15 As Cl3 Sb -","- C6 H15 As Cl3 Sb -","- C48 H120 As8 Cl24 Sb8 -","8","2","","Eamonn Conrad; Neil R. Burford; Robert McDonald; Michael J. Ferguson","Coordination of Arsine Ligands as a General Synthetic Approach to Rare Examples of Arsenic-Antimony and Arsenic-Bismuth Bonds","Journal of the American Chemical Society","2009","131","","5066","5067","10.1021/ja900968j","","","0.71073","MoKα","","0.0605","0.0494","","","0.1193","0.1245","","","","","","1.157","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104181","10.7183","0.0015","11.0815","0.0016","12.3185","0.0017","90","","114.214","0.002","90","","1334.4","0.3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 As Cl2 F3 O3 S Sb -","- C4 H9 As Cl2 F3 O3 S Sb -","- C16 H36 As4 Cl8 F12 O12 S4 Sb4 -","4","1","","Eamonn Conrad; Neil R. Burford; Robert McDonald; Michael J. Ferguson","Coordination of Arsine Ligands as a General Synthetic Approach to Rare Examples of Arsenic-Antimony and Arsenic-Bismuth Bonds","Journal of the American Chemical Society","2009","131","","5066","5067","10.1021/ja900968j","","","0.71073","MoKα","","0.0345","0.0297","","","0.0761","0.0779","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104182","31.0351","0.0019","11.9521","0.0007","15.0928","0.0009","90","","99.7641","0.0009","90","","5517.3","0.6","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Al As Cl5 Sb -","- C24 H20 Al As Cl5 Sb -","- C192 H160 Al8 As8 Cl40 Sb8 -","8","1","","Eamonn Conrad; Neil R. Burford; Robert McDonald; Michael J. Ferguson","Coordination of Arsine Ligands as a General Synthetic Approach to Rare Examples of Arsenic-Antimony and Arsenic-Bismuth Bonds","Journal of the American Chemical Society","2009","131","","5066","5067","10.1021/ja900968j","","","0.71073","MoKα","","0.0394","0.0286","","","0.0701","0.0813","","","","","","1.114","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104183","22.023","0.002","16.6499","0.0017","22.883","0.002","90","","114.678","0.0013","90","","7624.4","1.2","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 As2 Bi Cl2 F3 O3 S -","- C37 H30 As2 Bi Cl2 F3 O3 S -","- C296 H240 As16 Bi8 Cl16 F24 O24 S8 -","8","1","","Eamonn Conrad; Neil R. Burford; Robert McDonald; Michael J. Ferguson","Coordination of Arsine Ligands as a General Synthetic Approach to Rare Examples of Arsenic-Antimony and Arsenic-Bismuth Bonds","Journal of the American Chemical Society","2009","131","","5066","5067","10.1021/ja900968j","","","0.71073","MoKα","","0.0495","0.031","","","0.0652","0.0713","","","","","","1.039","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104184","11.139","0.0003","18.6226","0.0004","21.2712","0.0005","90","","90","","90","","4412.44","0.18","133","2","133","2","","","","","","","","6","P b c m","-P 2c 2b","57","(DIPP-nacnac)Ca(DIPP)N=BH2.THF","","","- C45 H68 B Ca N3 O -","- C45 H68 B Ca N3 O -","- C180 H272 B4 Ca4 N12 O4 -","4","0.5","","Jan Spielmann; Sjoerd Harder","Hydrogen Elimination in Bulky Calcium Amidoborane Complexes: Isolation of a Calcium Borylamide Complex","Journal of the American Chemical Society","2009","131","","5064","5065","10.1021/ja901073c","","","0.71073","MoKα","","0.0553","0.0429","","","0.1081","0.1144","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104185","11.9746","0.0006","22.8411","0.0012","17.0308","0.0008","90","","106.287","0.003","90","","4471.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(DIPP-nacnac)Ca(NH(DIPP)BH3).THF","","","- C45 H70 B Ca N3 O -","- C45 H70 B Ca N3 O -","- C180 H280 B4 Ca4 N12 O4 -","4","1","","Jan Spielmann; Sjoerd Harder","Hydrogen Elimination in Bulky Calcium Amidoborane Complexes: Isolation of a Calcium Borylamide Complex","Journal of the American Chemical Society","2009","131","","5064","5065","10.1021/ja901073c","","","0.71073","MoKα","","0.1062","0.0608","","","0.1361","0.1594","","","","","","1.031","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104186","16.5823","0.0015","17.0572","0.0015","26.097","0.003","90","","90","","90","","7381.5","1.3","173","2","173","2","","","","","","","","6","P b n a","-P 2ac 2b","60","DIPP-nacnac)CaN(DIPP)H-BH3.THF","","","- C36 H60 B Ca N3 O -","- C36 H60 B Ca N3 O -","- C288 H480 B8 Ca8 N24 O8 -","8","1","","Jan Spielmann; Sjoerd Harder","Hydrogen Elimination in Bulky Calcium Amidoborane Complexes: Isolation of a Calcium Borylamide Complex","Journal of the American Chemical Society","2009","131","","5064","5065","10.1021/ja901073c","","","0.71073","MoKα","","0.1012","0.0785","","","0.1813","0.1921","","","","","","1.129","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104187","11.9152","0.0004","18.0011","0.0006","31.6183","0.0009","90","","92.026","0.002","90","","6777.5","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(DIPP-nacnac)Ca]2(iPrN=BH-N(iPr)-BH3).THF","","","- C68 H108 B2 Ca2 N6 O -","- C68 H108 B2 Ca2 N6 O -","- C272 H432 B8 Ca8 N24 O4 -","4","1","","Jan Spielmann; Sjoerd Harder","Hydrogen Elimination in Bulky Calcium Amidoborane Complexes: Isolation of a Calcium Borylamide Complex","Journal of the American Chemical Society","2009","131","","5064","5065","10.1021/ja901073c","","","0.71073","MoKα","","0.074","0.0498","","","0.1014","0.1144","","","","","","1.076","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104188","19.6891","0.0008","19.6891","0.0008","14.1971","0.0007","90","","90","","120","","4766.3","0.4","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10 Cu N3 -","- C6 H10 Cu N3 -","- C108 H180 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0482","0.0402","","","0.0732","0.077","","","","","","1.014","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104189","19.5289","0.0008","19.5289","0.0008","14.2935","0.0008","90","","90","","120","","4720.9","0.4","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H12 Cu N3 -","- C8 H12 Cu N3 -","- C144 H216 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0451","0.0393","","","0.0787","0.082","","","","","","1.028","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104190","19.6972","0.0009","19.6972","0.0009","14.2478","0.0008","90","","90","","120","","4787.3","0.4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H12 Cu N3 -","- C8 H12 Cu N3 -","- C144 H216 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0617","0.051","","","0.1104","0.1182","","","","","","1.021","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104191","19.6216","0.0012","19.6216","0.0012","14.2113","0.0009","90","","90","","120","","4738.4","0.5","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7 H10 Cu N3 O2 -","- C7 H10 Cu N3 O2 -","- C126 H180 Cu18 N54 O36 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0571","0.0458","","","0.0957","0.1004","","","","","","1.016","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104192","19.7501","0.0013","19.7501","0.0013","14.1928","0.001","90","","90","","120","","4794.4","0.6","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10 Cu N3 -","- C6 H10 Cu N3 -","- C108 H180 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0442","0.0364","","","0.0863","0.0919","","","","","","1.014","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104193","19.6052","0.0005","19.6052","0.0005","14.242","0.0004","90","","90","","120","","4740.7","0.2","93","2","93","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10 Cu N4 -","- C6 H10 Cu N4 -","- C108 H180 Cu18 N72 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0367","0.0327","","","0.0734","0.0761","","","","","","1.015","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104194","19.6808","0.0016","19.6808","0.0016","14.2153","0.0012","90","","90","","120","","4768.4","0.7","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6.08 H10.08 Cu N3 -","- C6.082 H10.082 Cu N3 -","- C109.476 H181.476 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0538","0.0415","","","0.0935","0.0998","","","","","","1.033","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104195","19.6307","0.0014","19.6307","0.0014","14.2594","0.0011","90","","90","","120","","4758.9","0.6","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6.21 H10.21 Cu N3 -","- C6.208 H10.208 Cu N3 -","- C111.744 H183.744 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0396","0.0329","","","0.0795","0.0845","","","","","","1.021","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104196","19.6035","0.0014","19.6035","0.0014","14.2793","0.0011","90","","90","","120","","4752.3","0.6","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6.39 H10.39 Cu N3 -","- C6.394 H10.394 Cu N3 -","- C115.092 H187.092 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0379","0.0324","","","0.0833","0.0878","","","","","","1.032","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104197","19.5947","0.0014","19.5947","0.0014","14.2851","0.001","90","","90","","120","","4750","0.6","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6.84 H10.84 Cu N3 -","- C6.836 H10.836 Cu N3 -","- C123.048 H195.048 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0543","0.0407","","","0.092","0.0979","","","","","","1.043","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104198","19.7253","0.0014","19.7253","0.0014","14.1969","0.001","90","","90","","120","","4783.8","0.6","195","2","195","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6.04 H10 Cu N3 O0.09 -","- C6.044 H10 Cu N3 O0.088 -","- C108.792 H180 Cu18 N54 O1.584 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0521","0.0388","","","0.0895","0.0986","","","","","","1.022","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104199","19.7013","0.0012","19.7013","0.0012","14.1981","0.0009","90","","90","","120","","4772.6","0.5","195","2","195","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6.08 H10 Cu N3 O0.15 -","- C6.076 H10 Cu N3 O0.152 -","- C109.368 H180 Cu18 N54 O2.736 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0536","0.0386","","","0.0856","0.0936","","","","","","1.02","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104200","19.6828","0.0017","19.6828","0.0017","14.205","0.0012","90","","90","","120","","4765.9","0.7","195","2","195","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6.25 H10 Cu N3 O0.5 -","- C6.247 H10 Cu N3 O0.494 -","- C112.446 H180 Cu18 N54 O8.892 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0461","0.0381","","","0.0926","0.0987","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104201","19.6798","0.0013","19.6798","0.0013","14.2054","0.001","90","","90","","120","","4764.6","0.6","195","2","195","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6.42 H10 Cu N3 O0.84 -","- C6.42 H10 Cu N3 O0.84 -","- C115.56 H180 Cu18 N54 O15.12 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0439","0.0369","","","0.0915","0.096","","","","","","1.026","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104202","12.13","0.03","13.84","0.04","16.24","0.04","112.53","0.03","110.86","0.03","90.76","0.03","2318","11","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C59 H66 O2 S2 -","- C59 H66 O2 S2 -","- C118 H132 O4 S4 -","2","1","","Hakan Usta; Chad Risko; Zhiming Wang; Hui Huang; Murat K. Deliomeroglu; Aleksandr Zhukhovitskiy; Antonio Facchetti; Tobin J. Marks","Design, Synthesis, and Characterization of Ladder-Type Molecules and Polymers. Air-Stable, Solution-Processablen-Channel and Ambipolar Semiconductors for Thin-Film Transistors via Experiment and Theory","Journal of the American Chemical Society","2009","131","","5586","5608","10.1021/ja809555c","","","","","","","","","","","","","","","","","","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104203","8.4993","0.0004","10.0232","0.0004","14.3879","0.0006","76.65","0.003","80.592","0.003","66.24","0.003","1088.08","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H56 Br2 N4 -","- C50 H56 Br2 N4 -","- C50 H56 Br2 N4 -","1","0.5","","Hakan Usta; Chad Risko; Zhiming Wang; Hui Huang; Murat K. Deliomeroglu; Aleksandr Zhukhovitskiy; Antonio Facchetti; Tobin J. Marks","Design, Synthesis, and Characterization of Ladder-Type Molecules and Polymers. Air-Stable, Solution-Processablen-Channel and Ambipolar Semiconductors for Thin-Film Transistors via Experiment and Theory","Journal of the American Chemical Society","2009","131","","5586","5608","10.1021/ja809555c","","","1.54178","CuKα","","0.0422","0.0365","","","0.0928","0.0955","","","","","","1.053","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104204","22.2091","0.0006","22.2174","0.0007","36.397","0.001","90","","90","","90","","17959.3","0.9","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C50 H45 Br2 Cl3 N4 -","- C50 H45 Br2 Cl3 N4 -","- C800 H720 Br32 Cl48 N64 -","16","2","","Hakan Usta; Chad Risko; Zhiming Wang; Hui Huang; Murat K. Deliomeroglu; Aleksandr Zhukhovitskiy; Antonio Facchetti; Tobin J. Marks","Design, Synthesis, and Characterization of Ladder-Type Molecules and Polymers. Air-Stable, Solution-Processablen-Channel and Ambipolar Semiconductors for Thin-Film Transistors via Experiment and Theory","Journal of the American Chemical Society","2009","131","","5586","5608","10.1021/ja809555c","","","0.71073","MoKα","","0.0837","0.0436","","","0.0684","0.072","","","","","","1.033","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104205","12.1161","0.0005","21.7964","0.0009","8.5633","0.0002","90","","93.448","0.002","90","","2257.37","0.14","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F6 Hg N4 O8 S2 -","- C16 H12 F6 Hg N4 O8 S2 -","- C64 H48 F24 Hg4 N16 O32 S8 -","4","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.0751","0.0464","","","0.1032","0.1153","","","","","","1.028","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104206","8.9199","0.0003","25.1224","0.0011","14.8664","0.0004","90","","124.338","0.002","90","","2750.82","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F6 Hg N6 O7 S2 -","- C20 H22 F6 Hg N6 O7 S2 -","- C80 H88 F24 Hg4 N24 O28 S8 -","4","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.0955","0.0456","","","0.1066","0.1439","","","","","","1.034","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104207","10.7211","0.0007","12.1059","0.0008","12.3438","0.0005","60.978","0.003","82.671","0.003","82.823","0.003","1385.79","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H21 F6 N7 O6 Pb S2 -","- C21 H21 F6 N7 O6 Pb S2 -","- C42 H42 F12 N14 O12 Pb2 S4 -","2","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.0494","0.0398","","","0.0959","0.1156","","","","","","1.145","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104208","8.1415","0.0005","11.7218","0.0007","13.3147","0.0006","74.683","0.003","88.334","0.003","77.536","0.003","1196.12","0.12","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H21 Cl F3 N7 O3 Pb S -","- C19 H21 Cl F3 N7 O3 Pb S -","- C38 H42 Cl2 F6 N14 O6 Pb2 S2 -","2","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.0654","0.0539","","","0.1303","0.137","","","","","","1.027","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104209","8.3621","0.0002","30.3182","0.0007","17.062","0.0003","90","","112.59","0.001","90","","3993.75","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 F6 N8 O7 Pb S2 -","- C27 H30 F6 N8 O7 Pb S2 -","- C108 H120 F24 N32 O28 Pb4 S8 -","4","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.1348","0.0981","","","0.2565","0.2719","","","","","","1.155","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104210","28.179","0.002","12.7484","0.001","14.563","0.0006","90","","91.309","0.004","90","","5230.2","0.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 F6 N6 O8 S2 Zn -","- C18 H20 F6 N6 O8 S2 Zn -","- C144 H160 F48 N48 O64 S16 Zn8 -","8","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.1302","0.0763","","","0.2035","0.2417","","","","","","1.037","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104211","8.9789","0.0002","24.7904","0.0007","11.9554","0.0003","90","","92.939","0.002","90","","2657.66","0.12","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 F6 N6 O7 S2 Zn -","- C19 H20 F6 N6 O7 S2 Zn -","- C76 H80 F24 N24 O28 S8 Zn4 -","4","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.0766","0.0563","","","0.1477","0.1588","","","","","","1.028","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104212","9.4644","0.0006","17.9359","0.0006","15.7593","0.001","90","","101.591","0.002","90","","2620.6","0.3","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H21 F6 N7 O6 S2 Zn -","- C20 H21 F6 N7 O6 S2 Zn -","- C80 H84 F24 N28 O24 S8 Zn4 -","4","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.1422","0.0747","","","0.1966","0.2324","","","","","","1.043","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104213","19.0721","0.001","19.0721","0.001","22.468","0.0007","90","","90","","120","","7077.7","0.6","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C44 H50 Al N4 O3 -","- C44 H45 Al N4 O3 -","- C264 H270 Al6 N24 O18 -","6","1","","Tomasz Kaczorowski; Iwona Justyniak; Teodozja Lipińska; Janusz Lipkowski; Janusz Lewiński","Metal Complexes of Cinchonine as Chiral Building Blocks: A Strategy for the Construction of Nanotubular Architectures and Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","5393","5395","10.1021/ja8098867","","","0.71073","MoKα","","0.0953","0.0837","","","0.2185","0.2313","","","","","","1.046","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104214","19.1799","0.0012","19.1799","0.0012","22.436","0.0008","90","","90","","120","","7147.7","0.7","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C43 H53 Al N4 O3 -","- C43 H53 Al N4 O3 -","- C258 H318 Al6 N24 O18 -","6","1","","Tomasz Kaczorowski; Iwona Justyniak; Teodozja Lipińska; Janusz Lipkowski; Janusz Lewiński","Metal Complexes of Cinchonine as Chiral Building Blocks: A Strategy for the Construction of Nanotubular Architectures and Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","5393","5395","10.1021/ja8098867","","","0.71073","MoKα","","0.1052","0.0853","","","0.2106","0.2216","","","","","","1.084","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104215","12.3231","0.0003","13.8581","0.0004","25.9692","0.0006","90","","90","","90","","4434.9","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H50 Al Cl3 N4 O3 Zn -","- C42 H50 Al Cl3 N4 O3 Zn -","- C168 H200 Al4 Cl12 N16 O12 Zn4 -","4","1","","Tomasz Kaczorowski; Iwona Justyniak; Teodozja Lipińska; Janusz Lipkowski; Janusz Lewiński","Metal Complexes of Cinchonine as Chiral Building Blocks: A Strategy for the Construction of Nanotubular Architectures and Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","5393","5395","10.1021/ja8098867","","","0.71073","MoKα","","0.0552","0.0495","","","0.1186","0.1234","","","","","","1.071","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104216","18.9541","0.0002","18.9541","0.0002","22.4362","0.0004","90","","90","","120","","6980.5","0.16","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C83 H92 Al2 Cl2 N8 O4 -","- C83 H92 Al2 Cl2 N8 O4 -","- C249 H276 Al6 Cl6 N24 O12 -","3","0.5","","Tomasz Kaczorowski; Iwona Justyniak; Teodozja Lipińska; Janusz Lipkowski; Janusz Lewiński","Metal Complexes of Cinchonine as Chiral Building Blocks: A Strategy for the Construction of Nanotubular Architectures and Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","5393","5395","10.1021/ja8098867","","","0.71073","MoKα","","0.0893","0.074","","","0.1796","0.2079","","","","","","1.058","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104217","12.259","0.005","14.235","0.004","17.56","0.001","98.111","0.002","103.836","0.005","111.26","0.008","2683.6","1.4","150","2","150","2","","","","","","","synthesis","6","P -1","-P 1","2","Dy(hfac)3(NITPhOEt)2","Tris(hexafluoroacetylacetonate) bis(2,4'-ethoxophenyl-4,4,5,5,-tetramethylimidazolidine -3-oxide-1-oxyl) dysprosium","","- C45 H45 Dy F18 N4 O12 -","- C45 H45 Dy F18 N4 O12 -","- C90 H90 Dy2 F36 N8 O24 -","2","1","","Kevin Bernot; Javier Luzon; Lapo Bogani; Mael Etienne; Claudio Sangregorio; Muralidharan Shanmugam; Andrea Caneschi; Roberta Sessoli; Dante Gatteschi","Magnetic Anisotropy of Dysprosium(III) in a Low-Symmetry Environment: A Theoretical and Experimental Investigation","Journal of the American Chemical Society","2009","131","","5573","5579","10.1021/ja8100038","","","0.71073","MoKα","","0.0959","0.0669","","","0.1667","0.1875","","","","","","0.948","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104218","6.9774","0.0005","7.2895","0.0006","15.4878","0.0011","79.058","0.003","78.262","0.002","71.287","0.003","723.87","0.1","123","1","123","1","","","","","","","","5","P -1","-P 1","2","Nb-complex","","","- C10 H20 Cl3 Nb O2 -","- C10 H20 Cl3 Nb O2 -","- C20 H40 Cl6 Nb2 O4 -","2","1","","Rocío Arteaga-Müller; Hayato Tsurugi; Teruhiko Saito; Masao Yanagawa; Seiji Oda; Kazushi Mashima","New Tantalum Ligand-Free Catalyst System for Highly Selective Trimerization of Ethylene Affording 1-Hexene: New Evidence of a Metallacycle Mechanism","Journal of the American Chemical Society","2009","131","","5370","5371","10.1021/ja8100837","","","0.71075","MoKα","","0.0242","0.021","","","0.0504","0.0632","","","","","","1.166","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104219","44.283","0.009","31.672","0.006","37.209","0.007","90","","105.33","0.03","90","","50330","18","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cucurbit[8]uril","","","- C348 H412.4 N198 O111.2 -","- C348 H412.4 N198 O111.2 -","- C1392 H1649.6 N792 O444.8 -","4","1","","David Bardelang; Karol Banaszak; Hakim Karoui; Antal Rockenbauer; Mélanie Waite; Konstantin Udachin; John A. Ripmeester; Christopher I. Ratcliffe; Olivier Ouari; Paul Tordo","Probing Cucurbituril Assemblies in Water with TEMPO-like Nitroxides: A Trinitroxide Supraradical with Spin-Spin Interactions","Journal of the American Chemical Society","2009","131","","5402","5404","10.1021/ja900306m","","","0.7107","MoKα","","0.128","0.1048","","","0.3196","0.3393","","","","","","1.361","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104220","7.9321","0.0002","14.3792","0.0003","19.7073","0.0004","90","","90","","90","","2247.76","0.09","193","2","193","2","","","","","","","chemical synthesis","4","P 21 21 21","P 2ac 2ab","19","MeOlBrEta","(3Z,5E,8S,11E,14S)-5-(4-Bromobenzoyl)-4-ethyl-8,14- dimethyloxacyclotetradeca-3,5,11-trien-2-one","","- C24 H29 Br O3 -","- C24 H29 Br O3 -","- C96 H116 Br4 O12 -","4","1","","Tuoping Luo; Stuart L. Schreiber","Gold(I)-Catalyzed Coupling Reactions for the Synthesis of Diverse Small Molecules Using the Build/Couple/Pair Strategy","Journal of the American Chemical Society","2009","131","","5667","5674","10.1021/ja900414s","","","0.71073","MoKα","","0.0432","0.0337","","","0.0794","0.0832","","","","","","1.028","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104221","9.2087","0.0004","10.9551","0.0005","14.8595","0.0008","110.493","0.003","92.371","0.003","108.7","0.002","1309.98","0.12","173","","","","","","","","","","LOC ETH Zurich","9","P -1","-P 1","2","","","","- C19 H18 Cl4 Cu F3 N2 O3 Pt S -","- C19 H18 Cl4 Cu F3 N2 O3 Pt S -","- C38 H36 Cl8 Cu2 F6 N4 O6 Pt2 S2 -","2","1","","Marc-Etienne Moret; Peter Chen","Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates","Journal of the American Chemical Society","2009","131","","5675","5690","10.1021/ja900449y","","","0.71073","MoKα","","0.0932","0.0816","","","0.2013","0.2142","","","","","","1.174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104222","10.6556","0.0012","12.1622","0.0013","12.6936","0.0013","110.231","0.012","105.478","0.011","90.209","0.01","1479.2","0.3","220","2","220","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H48 Ag2 Cl8 F6 N4 O6 Pt2 S2 -","- C50 H48 Ag2 Cl8 F6 N4 O6 Pt2 S2 -","- C50 H48 Ag2 Cl8 F6 N4 O6 Pt2 S2 -","1","0.5","","Marc-Etienne Moret; Peter Chen","Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates","Journal of the American Chemical Society","2009","131","","5675","5690","10.1021/ja900449y","","","0.7107","MoKα","","0.0321","0.0302","","","0.0786","0.0801","","","","","","1.026","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104223","19.8903","0.0004","18.8114","0.0005","17.0905","0.0003","90","","110.037","0.0013","90","","6007.6","0.2","203","","","","","","","","","","LOC ETH Zurich","9","C 1 2/c 1","-C 2yc","15","","","","- C57 H44 Cl8 Cu F3 N4 O3 Pt2 S -","- C57 H44 Cl8 Cu F3 N4 O3 Pt2 S -","- C228 H176 Cl32 Cu4 F12 N16 O12 Pt8 S4 -","4","0.5","","Marc-Etienne Moret; Peter Chen","Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates","Journal of the American Chemical Society","2009","131","","5675","5690","10.1021/ja900449y","","","0.71073","MoKα","","0.0482","0.0381","","","0.1085","0.1218","","","","","","0.86","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104224","11.9459","0.0003","31.7926","0.0005","15.7455","0.0003","90","","95.2584","0.0007","90","","5954.8","0.2","223","","","","","","","","","","LOC laboratory","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H44 Ag2 Cl8 F3 N4 O3 Pt2 S -","- C57 H44 Ag Cl8 F3 N4 O3 Pt2 S -","- C228 H176 Ag4 Cl32 F12 N16 O12 Pt8 S4 -","4","1","","Marc-Etienne Moret; Peter Chen","Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates","Journal of the American Chemical Society","2009","131","","5675","5690","10.1021/ja900449y","","","0.71073","MoKα","","0.1143","0.0776","","","","0.221","","","","","","1.251","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104225","26.1863","0.0005","19.3506","0.0003","10.1987","0.0002","90","","90","","90","","5167.89","0.16","223","","","","","","","","","","LOC ETH Zurich","9","P n m a","-P 2ac 2n","62","","","","- C48 H40 Ag2 Cl4 F6 N2 O6 Pt S2 -","- C48 H40 Ag2 Cl4 F6 N2 O6 Pt S2 -","- C192 H160 Ag8 Cl16 F24 N8 O24 Pt4 S8 -","4","0.5","","Marc-Etienne Moret; Peter Chen","Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates","Journal of the American Chemical Society","2009","131","","5675","5690","10.1021/ja900449y","","","0.71073","MoKα","","0.0761","0.0517","","","0.1449","0.1608","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104226","12.618","0.0002","12.8711","0.0003","17.6498","0.0004","77.4279","0.0011","80.5915","0.001","69.5194","0.0009","2608.91","0.1","223","","","","","","","","","","LOC ETH Zurich","9","P -1","-P 1","2","","","","- C34 H28 Cl10 Cu3 F9 N2 O9 Pt S3 -","- C34 H28 Cl10 Cu3 F9 N2 O9 Pt S3 -","- C68 H56 Cl20 Cu6 F18 N4 O18 Pt2 S6 -","2","1","","Marc-Etienne Moret; Peter Chen","Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates","Journal of the American Chemical Society","2009","131","","5675","5690","10.1021/ja900449y","","","0.71073","MoKα","","0.0656","0.0522","","","0.1432","0.1555","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104227","10.1359","0.0002","14.4793","0.0002","19.7264","0.0003","90","","90","","90","","2895.06","0.08","173","","","","","","","","","","LOC ETH Zurich","8","P b c m","-P 2c 2b","57","","","","- C21 H23 Cl6 F3 N2 O3 Pt S -","- C21 H23 Cl6 F3 N2 O3 Pt S -","- C84 H92 Cl24 F12 N8 O12 Pt4 S4 -","4","0.5","","Marc-Etienne Moret; Peter Chen","Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates","Journal of the American Chemical Society","2009","131","","5675","5690","10.1021/ja900449y","","","0.71073","MoKα","","0.0511","0.0456","","","0.1552","0.1604","","","","","","1.243","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104228","11.8953","0.0012","3.743","0.0003","11.61","0.001","90","","90","","90","","516.92","0.08","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","CaFe4As3","","","- As3 Ca Fe4 -","- As3 Ca Fe4 -","- As12 Ca4 Fe16 -","4","0.5","","Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis","CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties","Journal of the American Chemical Society","2009","131","","5405","5407","10.1021/ja900534h","","","0.71073","MoKα","","0.0527","0.0308","","","0.0628","0.0656","","","","","","0.843","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104229","11.8649","0.0006","3.7309","0.0002","11.5611","0.0007","90","","90","","90","","511.77","0.05","100","0.3","100","0.3","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As3 Ca Fe4 -","- As3 Ca Fe4 -","- As12 Ca4 Fe16 -","4","0.5","","Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis","CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties","Journal of the American Chemical Society","2009","131","","5405","5407","10.1021/ja900534h","","","0.71073","MoKα","","0.052","0.0495","","","0.0909","0.0923","","","","","","1.188","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104230","11.8656","0.0007","3.7322","0.0002","11.5622","0.0007","90","","90","","90","","512.03","0.05","80","0.3","80","0.3","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As3 Ca Fe4 -","- As3 Ca Fe4 -","- As12 Ca4 Fe16 -","4","0.5","","Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis","CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties","Journal of the American Chemical Society","2009","131","","5405","5407","10.1021/ja900534h","","","0.71073","MoKα","","0.0547","0.0516","","","0.0769","0.0783","","","","","","1.186","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104231","11.852","0.003","3.7352","0.0006","11.549","0.0018","90","","90","","90","","511.27","0.17","15","2","15","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As3 Ca Fe4 -","- As3 Ca Fe4 -","- As12 Ca4 Fe16 -","4","0.5","","Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis","CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties","Journal of the American Chemical Society","2009","131","","5405","5407","10.1021/ja900534h","","","0.71073","MoKα","","0.0846","0.0724","","","0.1832","0.1999","","","","","","1.316","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104232","11.8724","0.0003","22.1908","0.0005","39.4936","0.0013","90","","90","","90","","10404.9","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Brom-penta(di-tert.-butylphosphan)alan(4)","","","- C40 H90 Al4 Br P5 -","- C40 H90 Al4 Br P5 -","- C320 H720 Al32 Br8 P40 -","8","1","","Patrick Henke; Michael Huber; Jochen Steiner; Kit Bowen; Bryan Eichhorn; Hansgeorg Schnöckel","Al4(PtBu2)6- a Derivative of Al4H6- and Other Al4 Species: A Challenge for Bonding Interpretation between Zintl Ions and Metalloid Clusters","Journal of the American Chemical Society","2009","131","","5698","5704","10.1021/ja9007563","","","0.71073","MoKα","","0.0563","0.0447","","","0.1093","0.1163","","","","","","1.059","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104233","21.104","0.0014","12.4808","0.0008","23.3842","0.0015","90","","96.406","0.005","90","","6120.8","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexa(di-tert.-butylphoshan)alan(4)","Hexa(di-tert.-butylphoshan)alan(4)","","- C48 H108 Al4 P6 -","- C48 H108 Al4 P6 -","- C192 H432 Al16 P24 -","4","1","","Patrick Henke; Michael Huber; Jochen Steiner; Kit Bowen; Bryan Eichhorn; Hansgeorg Schnöckel","Al4(PtBu2)6- a Derivative of Al4H6- and Other Al4 Species: A Challenge for Bonding Interpretation between Zintl Ions and Metalloid Clusters","Journal of the American Chemical Society","2009","131","","5698","5704","10.1021/ja9007563","","","0.71073","MoKα","","0.0796","0.0386","","","0.0746","0.0828","","","","","","0.827","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104234","11.666","0.002","12.902","0.003","18.331","0.004","90.96","0.03","106.39","0.03","99.6","0.03","2604","1.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Penta(di-tert.-butylphosphan)galan(3)","","","- C40 H90 Ga3 P5 -","- C40 H90 Ga3 P5 -","- C80 H180 Ga6 P10 -","2","1","","Patrick Henke; Michael Huber; Jochen Steiner; Kit Bowen; Bryan Eichhorn; Hansgeorg Schnöckel","Al4(PtBu2)6- a Derivative of Al4H6- and Other Al4 Species: A Challenge for Bonding Interpretation between Zintl Ions and Metalloid Clusters","Journal of the American Chemical Society","2009","131","","5698","5704","10.1021/ja9007563","","","0.71073","MoKα","","0.0648","0.0321","","","0.0681","0.0743","","","","","","0.827","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104235","6.436","0.003","11.931","0.006","8.232","0.004","90","","98.125","0.006","90","","625.8","0.5","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C28 H30 N2 O6 -","2","1","","Vinod Tarwade; Xiaozhong Liu; Ni Yan; Joseph M. Fox","Directed Carbozincation Reactions of Cyclopropene Derivatives","Journal of the American Chemical Society","2009","131","","5382","5383","10.1021/ja900949n","","","0.71073","MoKα","","0.0796","0.0615","","","0.1543","0.1691","","","","","","1.08","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104236","10.16","0.005","6.033","0.003","11.43","0.006","90","","104.658","0.006","90","","677.8","0.6","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C30 H34 N2 O6 -","2","1","","Vinod Tarwade; Xiaozhong Liu; Ni Yan; Joseph M. Fox","Directed Carbozincation Reactions of Cyclopropene Derivatives","Journal of the American Chemical Society","2009","131","","5382","5383","10.1021/ja900949n","","","0.71073","MoKα","","0.0467","0.0432","","","0.1075","0.1106","","","","","","1.07","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104237","8.21","0.003","7.441","0.002","12.614","0.004","90","","95.165","0.005","90","","767.5","0.4","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 I N O3 -","- C15 H16 I N O3 -","- C30 H32 I2 N2 O6 -","2","1","","Vinod Tarwade; Xiaozhong Liu; Ni Yan; Joseph M. Fox","Directed Carbozincation Reactions of Cyclopropene Derivatives","Journal of the American Chemical Society","2009","131","","5382","5383","10.1021/ja900949n","","","0.71073","MoKα","","0.044","0.0425","","","0.1075","0.1089","","","","","","1.056","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104238","7.597","0.003","8.055","0.003","14.471","0.006","90","","95.477","0.009","90","","881.5","0.6","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C42 H42 N2 O6 -","2","1","","Vinod Tarwade; Xiaozhong Liu; Ni Yan; Joseph M. Fox","Directed Carbozincation Reactions of Cyclopropene Derivatives","Journal of the American Chemical Society","2009","131","","5382","5383","10.1021/ja900949n","","","0.71073","MoKα","","0.0788","0.0554","","","0.1255","0.14","","","","","","1.054","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104239","12.8381","0.0006","14.0439","0.0007","17.3667","0.0008","102.684","0.001","90.381","0.001","106.738","0.001","2917.1","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H59 B F15 N4 O0.5 U -","- C56 H59 B F15 N4 O0.5 U -","- C112 H118 B2 F30 N8 O U2 -","2","1","","Alexander R. Fox; Christopher C. Cummins","Uranium-Nitrogen Multiple Bonding: The Case of a Four-Coordinate Uranium(VI) Nitridoborate Complex","Journal of the American Chemical Society","2009","131","","5716","5717","10.1021/ja8095812","","","0.71073","MoKα","","0.0728","0.042","","","0.0981","0.1099","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104240","12.1153","0.0016","13.9807","0.0018","23.246","0.003","83.463","0.002","78.237","0.002","88.23","0.003","3829.5","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H95 B F15 N5 O0.5 U -","- C72 H95 B F15 N5 O0.5 U -","- C144 H190 B2 F30 N10 O U2 -","2","1","","Alexander R. Fox; Christopher C. Cummins","Uranium-Nitrogen Multiple Bonding: The Case of a Four-Coordinate Uranium(VI) Nitridoborate Complex","Journal of the American Chemical Society","2009","131","","5716","5717","10.1021/ja8095812","","","0.71073","MoKα","","0.0657","0.0431","","","0.0877","0.0956","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104241","10.927","0.0002","15.35","0.0002","20.204","0.0004","90","","90.861","0.0009","90","","3388.42","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 B2 N2 -","- C39 H48 B2 N2 -","- C156 H192 B8 N8 -","4","1","","Kelly E. Krahulic; Heikki M. Tuononen; Masood Parvez; Roland Roesler","Isolation of Free Phenylide-like Carbanions with N-Heterocyclic Carbene Frameworks","Journal of the American Chemical Society","2009","131","","5858","5865","10.1021/ja9001234","","","0.71073","MoKα","","0.0785","0.0514","","","0.1278","0.1458","","","","","","1.014","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104242","10.564","0.003","14.397","0.005","20.578","0.005","90","","91.09","0.015","90","","3129.1","1.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H50 B2 N4 -","- C31 H50 B2 N4 -","- C124 H200 B8 N16 -","4","1","","Kelly E. Krahulic; Heikki M. Tuononen; Masood Parvez; Roland Roesler","Isolation of Free Phenylide-like Carbanions with N-Heterocyclic Carbene Frameworks","Journal of the American Chemical Society","2009","131","","5858","5865","10.1021/ja9001234","","","0.71073","MoKα","","0.1027","0.053","","","0.1216","0.1459","","","","","","1.028","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104243","11.411","0.002","13.544","0.002","21.362","0.004","74.015","0.01","78.738","0.01","68.096","0.011","2928.8","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H87 B2 K N2 O8 -","- C59 H87 B2 K N2 O8 -","- C118 H174 B4 K2 N4 O16 -","2","1","","Kelly E. Krahulic; Heikki M. Tuononen; Masood Parvez; Roland Roesler","Isolation of Free Phenylide-like Carbanions with N-Heterocyclic Carbene Frameworks","Journal of the American Chemical Society","2009","131","","5858","5865","10.1021/ja9001234","","","0.71073","MoKα","","0.0721","0.0462","","","0.1129","0.1313","","","","","","0.962","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104244","26.323","0.004","15.078","0.004","15.509","0.006","90","","90","","90","","6155","3","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C58 H98 B2 K N4 O8 -","- C58 H98 B2 K N4 O8 -","- C232 H392 B8 K4 N16 O32 -","4","0.5","","Kelly E. Krahulic; Heikki M. Tuononen; Masood Parvez; Roland Roesler","Isolation of Free Phenylide-like Carbanions with N-Heterocyclic Carbene Frameworks","Journal of the American Chemical Society","2009","131","","5858","5865","10.1021/ja9001234","","","0.71073","MoKα","","0.1051","0.075","","","0.187","0.2073","","","","","","1.068","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104245","11.9818","0.0002","13.7937","0.0002","16.2215","0.0003","78.109","0.001","72.759","0.001","83.782","0.001","2502.37","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H64 N2 Ni2 O2 P2 -","- C45 H63 N2 Ni2 O3 P2 -","- C90 H126 N4 Ni4 O6 P4 -","2","1","","Brandon A. Rodriguez; Massimiliano Delferro; Tobin J. Marks","Bimetallic Effects for Enhanced Polar Comonomer Enchainment Selectivity in Catalytic Ethylene Polymerization","Journal of the American Chemical Society","2009","131","","5902","5919","10.1021/ja900257k","","","1.54178","CuKα","","0.332","0.0919","","","0.6514","0.2475","","","","","","3.433","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104246","10.436","0.008","14.22","0.012","27.63","0.02","90","","92.307","0.018","90","","4097","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ni2BisO=PMe3","","","- C44 H64 N2 Ni2 O2 P2 -","- C42 H49 N2 Ni O4 P2 -","- C168 H196 N8 Ni4 O16 P8 -","4","1","","Brandon A. Rodriguez; Massimiliano Delferro; Tobin J. Marks","Bimetallic Effects for Enhanced Polar Comonomer Enchainment Selectivity in Catalytic Ethylene Polymerization","Journal of the American Chemical Society","2009","131","","5902","5919","10.1021/ja900257k","","","1.54178","CuKα","","0.1143","0.0836","","","0.2469","0.2733","","","","","","1.018","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104247","8.6581","0.001","9.8765","0.0012","12.8693","0.0016","92.919","0.002","103.854","0.002","113.448","0.002","966.9","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C42 H60 O6 -","2","1","","Pallavi Sharma; Barry Lygo; William Lewis; John E. Moses","Biomimetic Synthesis and Structural Reassignment of the Tridachiahydropyrones","Journal of the American Chemical Society","2009","131","","5966","5972","10.1021/ja900369z","","","0.71073","MoKα","","0.0628","0.0496","","","0.1258","0.1341","","","","","","1.071","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104248","10.2794","0.0012","11.535","0.0014","16.1121","0.0019","90","","96.466","0.002","90","","1898.3","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Pallavi Sharma; Barry Lygo; William Lewis; John E. Moses","Biomimetic Synthesis and Structural Reassignment of the Tridachiahydropyrones","Journal of the American Chemical Society","2009","131","","5966","5972","10.1021/ja900369z","","","0.71073","MoKα","","0.0622","0.047","","","0.1168","0.1247","","","","","","1.006","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104249","18.3808","0.0007","11.6486","0.0004","23.6805","0.0009","90","","97.353","0.001","90","","5028.6","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DpppNippbbbme2, MeCN","","","- C59 H61 N3 Ni P4 -","- C59 H61 N3 Ni P4 -","- C236 H244 N12 Ni4 P16 -","4","1","","Jenny Y. Yang; R. Morris Bullock; Wendy J. Shaw; Brendan Twamley; Kendra Fraze; M. Rakowski DuBois; Daniel L. DuBois","Mechanistic Insights into Catalytic H2 Oxidation by Ni Complexes Containing a Diphosphine Ligand with a Positioned Amine Base","Journal of the American Chemical Society","2009","131","","5935","5945","10.1021/ja900483x","","","0.71073","MoKα","","0.0655","0.0406","","","0.0886","0.0999","","","","","","1.013","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104250","11.9614","0.0007","18.5134","0.0011","29.4975","0.0019","90","","92.783","0.004","90","","6524.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Boc-Gpn-Aib-Gpn-Aib-Gpn-Aib-Gpn-Aib-OMe","","","- C58 H100 N8 O11 -","- C58 H100 N8 O11 -","- C232 H400 N32 O44 -","4","1","","Sunanda Chatterjee; Prema G. Vasudev; Srinivasarao Raghothama; Chandrasekharan Ramakrishnan; Narayanaswamy Shamala; Padmanabhan Balaram","Expanding the Peptide β-Turn in αγ Hybrid Sequences: 12 Atom Hydrogen Bonded Helical and Hairpin Turns","Journal of the American Chemical Society","2009","131","","5956","5965","10.1021/ja900618h","","","0.71073","MoKα","","0.4058","0.0731","","","0.1569","0.2858","","","","","","0.806","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104251","9.558","0.0011","26.278","0.003","27.434","0.003","90","","90","","90","","6890.5","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-Aib-Gpn-Leu-Phe-Val-OMe","","","- C63 H100 N8 O12 -","- C63 H100 N8 O12 -","- C252 H400 N32 O48 -","4","1","","Sunanda Chatterjee; Prema G. Vasudev; Srinivasarao Raghothama; Chandrasekharan Ramakrishnan; Narayanaswamy Shamala; Padmanabhan Balaram","Expanding the Peptide β-Turn in αγ Hybrid Sequences: 12 Atom Hydrogen Bonded Helical and Hairpin Turns","Journal of the American Chemical Society","2009","131","","5956","5965","10.1021/ja900618h","","","0.71073","MoKα","","0.145","0.1235","","","0.2948","0.3128","","","","","","1.087","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104252","14.973","0.0011","20.7674","0.0012","28.0225","0.0015","90","","90.211","0.005","90","","8713.5","0.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C87 H128 P8 Sm4 -","- C86 H120 P8 Sm4 -","- C344 H480 P32 Sm16 -","4","0.5","","Sergey N. Konchenko; Nikolay A. Pushkarevsky; Michael T. Gamer; Ralf Köppe; Hansgeorg Schnöckel; Peter W. Roesky","[{(η5-C5Me5)2Sm}4P8]: A Molecular Polyphosphide of the Rare-Earth Elements","Journal of the American Chemical Society","2009","131","","5740","5741","10.1021/ja901045m","","","0.71073","MoKα","","0.0717","0.0434","","","0.0884","0.0943","","","","","","1.008","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104253","7.591","0.001","14.08","0.002","14.268","0.003","94.31","0.01","103.19","0.01","90.93","0.01","1479.7","0.4","286","2","286","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H44 N2 O5 Si -","- C29 H44 N2 O5 Si -","- C58 H88 N4 O10 Si2 -","2","1","","Min Zhang; Xiaoping Huang; Liqun Shen; Yong Qin","Total Synthesis of the Akuammiline Alkaloid (\±)-Vincorine","Journal of the American Chemical Society","2009","131","","6013","6020","10.1021/ja901219v","","","0.71073","MoKα","","0.0966","0.0533","","","0.1101","0.1211","","","","","","1.002","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104254","6.705","0.002","7.022","0.002","34.126","0.01","90","","90","","90","","1606.7","0.8","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 O6 Si -","- C12 H26 O6 Si -","- C48 H104 O24 Si4 -","4","1","","Sang Min Lim; Nicholas Hill; Andrew G. Myers","A Method for the Preparation of Differentiatedtrans-1,2-Diol Derivatives with Enantio- and Diastereocontrol","Journal of the American Chemical Society","2009","131","","5763","5765","10.1021/ja901283q","","","0.71073","MoKα","","0.0722","0.0617","","","0.1086","0.1124","","","","","","1.159","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104255","7.4443","0.0003","20.6728","0.0009","12.0342","0.0005","90","","93.972","0.002","90","","1847.55","0.13","193","2","193","2","","","","","","","chemical synthesis","5","P 1 21 1","P 2yb","4","B259","(1R,3R,4R,6R)-4,6-Bis(tert-butyldimethylsilyloxy)cyclohexane-1,3-diyl Bis(4-bromobenzoate)","","- C32 H46 Br2 O6 Si2 -","- C32 H46 Br2 O6 Si2 -","- C64 H92 Br4 O12 Si4 -","2","1","","Sang Min Lim; Nicholas Hill; Andrew G. Myers","A Method for the Preparation of Differentiatedtrans-1,2-Diol Derivatives with Enantio- and Diastereocontrol","Journal of the American Chemical Society","2009","131","","5763","5765","10.1021/ja901283q","","","0.71073","MoKα","","0.0351","0.0284","","","0.0691","0.0718","","","","","","1.033","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104256","12.1872","0.0002","10.3016","0.0002","18.9412","0.0004","90","","123.631","0.001","90","","1979.99","0.07","193","2","193","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","RAS-2-233","Methyl 2-(1-(<i>tert</i>-butoxycarbonyloxy)-2-methylpropyl)-4,4- dimethyl-3,5-dioxopyrrolidine-2-carboxylate","","- C17 H27 N O7 -","- C17 H27 N O7 -","- C68 H108 N4 O28 -","4","1","","Ryan A. Shenvi; E. J. Corey","A Short and Efficient Synthesis of (-)-7-Methylomuralide, a Potent Proteasome Inhibitor","Journal of the American Chemical Society","2009","131","","5746","5747","10.1021/ja901400q","","","0.71073","MoKα","","0.0627","0.0442","","","0.1141","0.1271","","","","","","1.023","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104257","9.0015","0.0001","9.14","0.0001","12.5776","0.0001","88.129","0.001","78.693","0.001","88.859","0.001","1014.08","0.018","193","2","193","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","RAS-2-OCbz","Methyl 2-(1-(benzyloxycarbonyloxy)-2-methylpropyl)-4,4- dimethyl-3,5-dioxopyrrolidine-2-carboxylate","","- C20 H25 N O7 -","- C20 H25 N O7 -","- C40 H50 N2 O14 -","2","1","","Ryan A. Shenvi; E. J. Corey","A Short and Efficient Synthesis of (-)-7-Methylomuralide, a Potent Proteasome Inhibitor","Journal of the American Chemical Society","2009","131","","5746","5747","10.1021/ja901400q","","","0.71073","MoKα","","0.044","0.0374","","","0.0992","0.1044","","","","","","1.041","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104258","10.3987","0.0006","18.6372","0.001","9.2437","0.0005","90","","111.409","0.001","90","","1667.84","0.16","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl2 O6 -","- C17 H16 Cl2 O6 -","- C68 H64 Cl8 O24 -","4","1","","Scott A. Snyder; Zhen-Yu Tang; Ritu Gupta","Enantioselective Total Synthesis of (-)-Napyradiomycin A1 via Asymmetric Chlorination of an Isolated Olefin","Journal of the American Chemical Society","2009","131","","5744","5745","10.1021/ja9014716","","","0.71073","MoKα","","0.055","0.0495","","","0.1424","0.1465","","","","","","1.097","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104259","12.199","0.0005","12.4156","0.0005","16.1018","0.0007","73.056","0.004","82.456","0.004","85.222","0.004","2310.08","0.17","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C47.47 H27.94 B Cl1.94 Cu F20 N3 O -","- C47.47 H27.94 B Cl1.94 Cu F20 N3 O -","- C94.94 H55.88 B2 Cl3.88 Cu2 F40 N6 O2 -","2","1","","Heather R. Lucas; Lei Li; Amy A. Narducci Sarjeant; Michael A. Vance; Edward I. Solomon; Kenneth D. Karlin","Toluene and Ethylbenzene Aliphatic C-H Bond Oxidations Initiated by a Dicopper(II)-μ-1,2-Peroxo Complex","Journal of the American Chemical Society","2009","131","","3230","3245","10.1021/ja807081d","","","0.71073","MoKα","","0.0692","0.05","","","0.1069","0.1173","","","","","","1.097","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104260","9.1046","0.0005","30.057","0.007","9.638","0.0005","90","","91.63","0.004","90","","2636.4","0.6","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20.24 H23.48 Cl2 Cu N3 O9 -","- C20.24 H23.48 Cl2 Cu N3 O9 -","- C80.96 H93.92 Cl8 Cu4 N12 O36 -","4","1","","Heather R. Lucas; Lei Li; Amy A. Narducci Sarjeant; Michael A. Vance; Edward I. Solomon; Kenneth D. Karlin","Toluene and Ethylbenzene Aliphatic C-H Bond Oxidations Initiated by a Dicopper(II)-μ-1,2-Peroxo Complex","Journal of the American Chemical Society","2009","131","","3230","3245","10.1021/ja807081d","","","0.71073","MoKα","","0.0832","0.0565","","","0.1353","0.1433","","","","","","1.053","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104261","8.0704","0.001","17.337","0.003","17.499","0.002","107.807","0.012","90.416","0.01","91.68","0.011","2329.8","0.6","","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H30 B Cu F20 N4 O -","- C49 H30 B Cu F20 N4 O -","- C98 H60 B2 Cu2 F40 N8 O2 -","2","1","","Heather R. Lucas; Lei Li; Amy A. Narducci Sarjeant; Michael A. Vance; Edward I. Solomon; Kenneth D. Karlin","Toluene and Ethylbenzene Aliphatic C-H Bond Oxidations Initiated by a Dicopper(II)-μ-1,2-Peroxo Complex","Journal of the American Chemical Society","2009","131","","3230","3245","10.1021/ja807081d","","","0.71073","MoKα","","0.0646","0.0412","","","0.1151","0.1195","","","","","","1.103","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104262","17.232","0.003","18.005","0.006","18.767","0.006","115.41","0.03","109.99","0.02","94.716","0.019","4759","3","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C195.6 H122 B4 Cu4 F80 N12 O11.4 -","- C195.6 H122 B4 Cu4 F80 N12 O11.4 -","- C195.6 H122 B4 Cu4 F80 N12 O11.4 -","1","0.5","","Heather R. Lucas; Lei Li; Amy A. Narducci Sarjeant; Michael A. Vance; Edward I. Solomon; Kenneth D. Karlin","Toluene and Ethylbenzene Aliphatic C-H Bond Oxidations Initiated by a Dicopper(II)-μ-1,2-Peroxo Complex","Journal of the American Chemical Society","2009","131","","3230","3245","10.1021/ja807081d","","","0.71073","MoKα","","0.257","0.0883","","","0.158","0.2072","","","","","","0.868","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104263","12.33","0.002","12.7247","0.0017","14.7999","0.0018","74.404","0.011","84.914","0.012","80.369","0.012","2202.7","0.6","","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H56 B2 Cu2 F40 N6 O4 -","- C94 H56 B2 Cu2 F40 N6 O4 -","- C94 H56 B2 Cu2 F40 N6 O4 -","1","0.5","","Heather R. Lucas; Lei Li; Amy A. Narducci Sarjeant; Michael A. Vance; Edward I. Solomon; Kenneth D. Karlin","Toluene and Ethylbenzene Aliphatic C-H Bond Oxidations Initiated by a Dicopper(II)-μ-1,2-Peroxo Complex","Journal of the American Chemical Society","2009","131","","3230","3245","10.1021/ja807081d","","","0.71073","MoKα","","0.0561","0.0375","","","0.1004","0.105","","","","","","1.11","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104264","13.023","0.003","13.409","0.004","15.048","0.003","112.14","0.03","104.071","0.019","97.69","0.02","2285.4","1.2","","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C48.5 H30 B Cu F20 N4 -","- C48.5 H30 B Cu F20 N4 -","- C97 H60 B2 Cu2 F40 N8 -","2","1","","Heather R. Lucas; Lei Li; Amy A. Narducci Sarjeant; Michael A. Vance; Edward I. Solomon; Kenneth D. Karlin","Toluene and Ethylbenzene Aliphatic C-H Bond Oxidations Initiated by a Dicopper(II)-μ-1,2-Peroxo Complex","Journal of the American Chemical Society","2009","131","","3230","3245","10.1021/ja807081d","","","0.71073","MoKα","","0.1394","0.0612","","","0.0916","0.1076","","","","","","0.907","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104265","6.589","0.0018","10.395","0.003","6.6896","0.0019","90","","115.963","0.002","90","","411.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Cl3 Ti -","- C5 H5 Cl3 Ti -","- C10 H10 Cl6 Ti2 -","2","0.5","","Aaron J. Rossini; Ryan W. Mills; Graham A. Briscoe; Erin L. Norton; Stephen J. Geier; Ivan Hung; Shaohui Zheng; Jochen Autschbach; Robert W. Schurko","Solid-State Chlorine NMR of Group IV Transition Metal Organometallic Complexes","Journal of the American Chemical Society","2009","131","","3317","3330","10.1021/ja808390a","","","0.71073","MoKα","","0.0344","0.0309","","","0.0811","0.0845","","","","","","1.104","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104266","16.267","0.0013","14.9046","0.0011","26.8138","0.0018","90","","90","","90","","6501.1","0.8","100","0.2","100","0.2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C29 H42 Cl Gd N4 O13 -","- C29 H42 Cl Gd N4 O13 -","- C232 H336 Cl8 Gd8 N32 O104 -","8","1","","Adrián Roca-Sabio; Marta Mato-Iglesias; David Esteban-Gómez; Éva Tóth; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas","Macrocyclic Receptor Exhibiting Unprecedented Selectivity for Light Lanthanides","Journal of the American Chemical Society","2009","131","","3331","3341","10.1021/ja808534w","","x-ray","0.71073","MoKα","","0.067","0.0293","","","0.0525","0.0637","","","","","","1.018","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104267","14.8493","0.0008","22.4655","0.0009","14.9641","0.0008","90","","93.825","0.002","90","","4980.9","0.4","100","0.2","100","0.2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H68 Cl3 N6 O21 Yb -","- C38 H68 Cl3 N6 O21 Yb -","- C152 H272 Cl12 N24 O84 Yb4 -","4","1","","Adrián Roca-Sabio; Marta Mato-Iglesias; David Esteban-Gómez; Éva Tóth; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas","Macrocyclic Receptor Exhibiting Unprecedented Selectivity for Light Lanthanides","Journal of the American Chemical Society","2009","131","","3331","3341","10.1021/ja808534w","","x-ray","0.71073","MoKα","","0.0481","0.0325","","","0.0659","0.0713","","","","","","1.026","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104268","15.8698","0.0014","15.8698","0.0014","16.868","0.0014","90","","90","","90","","4248.2","0.6","103","2","103","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H26 Cl2 N3 O2 Ta -","- C20 H26 Cl2 N3 O2 Ta -","- C160 H208 Cl16 N24 O16 Ta8 -","8","0.5","","Andy I. Nguyen; Karen J. Blackmore; Shawn M. Carter; Ryan A. Zarkesh; Alan F. Heyduk","One- and Two-Electron Reactivity of a Tantalum(V) Complex with a Redox-Active Tris(amido) Ligand","Journal of the American Chemical Society","2009","131","","3307","3316","10.1021/ja808542j","","","0.71073","MoKα","","0.0247","0.0187","","","0.0473","0.0513","","","","","","1.063","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4104269","9.3551","0.0006","9.843","0.0007","14.4426","0.001","94.5768","0.0008","97.6611","0.0008","92.9604","0.0009","1311.22","0.15","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H31 Cl2 N4 O2 Ta -","- C26 H31 Cl2 N4 O2 Ta -","- C52 H62 Cl4 N8 O4 Ta2 -","2","1","","Andy I. Nguyen; Karen J. Blackmore; Shawn M. Carter; Ryan A. Zarkesh; Alan F. Heyduk","One- and Two-Electron Reactivity of a Tantalum(V) Complex with a Redox-Active Tris(amido) Ligand","Journal of the American Chemical Society","2009","131","","3307","3316","10.1021/ja808542j","","","0.71073","MoKα","","0.0285","0.0249","","","0.0611","0.0631","","","","","","1.056","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104270","14.5899","0.0006","15.5065","0.0006","16.2442","0.0007","80.14","0.0005","73.7726","0.0005","87.8341","0.0005","3476.3","0.2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H40 Cl2 N5 O2 Ta -","- C36.5 H40 Cl2 N5 O2 Ta -","- C146 H160 Cl8 N20 O8 Ta4 -","4","2","","Andy I. Nguyen; Karen J. Blackmore; Shawn M. Carter; Ryan A. Zarkesh; Alan F. Heyduk","One- and Two-Electron Reactivity of a Tantalum(V) Complex with a Redox-Active Tris(amido) Ligand","Journal of the American Chemical Society","2009","131","","3307","3316","10.1021/ja808542j","","","0.71073","MoKα","","0.0234","0.0189","","","0.0453","0.047","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104271","15.2986","0.0002","17.1817","0.0003","21.8206","0.0004","90","","90","","90","","5735.67","0.16","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H40 Cl N O P2 Ru -","- C28 H40 Cl N O P2 Ru -","- C224 H320 Cl8 N8 O8 P16 Ru8 -","8","1","","Chidambaram Gunanathan; Linda J. W. Shimon; David Milstein","Direct Conversion of Alcohols to Acetals and H2 Catalyzed by an Acridine-Based Ruthenium Pincer Complex","Journal of the American Chemical Society","2009","131","","3146","3147","10.1021/ja808893g","","","0.71073","MoKα","","0.054","0.0356","","","0.0863","0.0928","","","","","","1.074","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104272","10.1087","0.001","10.7832","0.0011","14.9277","0.0015","84.414","0.002","78.963","0.002","81.217","0.002","1574.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H35 Br5 P2 Pt -","- C26 H35 Br5 P2 Pt -","- C52 H70 Br10 P4 Pt2 -","2","1","","Bao-Yu Wang; Alice Raphael Karikachery; Yunjing Li; Anupam Singh; Han Baek Lee; Wenfang Sun; Paul R. Sharp","Remarkable Bromination and Blue Emission of 9-Anthracenyl Pt(II) Complexes","Journal of the American Chemical Society","2009","131","","3150","3151","10.1021/ja809046p","","","0.71073","MoKα","","0.0639","0.0431","","","0.1001","0.1091","","","","","","1.036","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104273","19.3975","0.0016","12.6089","0.001","14.2731","0.0012","90","","129.005","0.001","90","","2712.8","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 Br2 P2 Pt -","- C26 H38 Br2 P2 Pt -","- C104 H152 Br8 P8 Pt4 -","4","0.5","","Bao-Yu Wang; Alice Raphael Karikachery; Yunjing Li; Anupam Singh; Han Baek Lee; Wenfang Sun; Paul R. Sharp","Remarkable Bromination and Blue Emission of 9-Anthracenyl Pt(II) Complexes","Journal of the American Chemical Society","2009","131","","3150","3151","10.1021/ja809046p","","","0.71073","MoKα","","0.0212","0.0185","","","0.0473","0.0485","","","","","","1.032","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104274","9.3779","0.0007","17.2149","0.0014","19.5432","0.0015","70.243","0.001","85.144","0.001","82.561","0.001","2941.5","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H37 Br3 P2 Pt -","- C26 H32.5 Br3 P2 Pt -","- C104 H130 Br12 P8 Pt4 -","4","2","","Bao-Yu Wang; Alice Raphael Karikachery; Yunjing Li; Anupam Singh; Han Baek Lee; Wenfang Sun; Paul R. Sharp","Remarkable Bromination and Blue Emission of 9-Anthracenyl Pt(II) Complexes","Journal of the American Chemical Society","2009","131","","3150","3151","10.1021/ja809046p","","","0.71073","MoKα","","0.0846","0.0524","","","0.128","0.148","","","","","","1.021","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104275","9.568","0.0005","17.4909","0.0009","37.2389","0.0019","90","","90","","90","","6232","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 Br4 P2 Pt -","- C26 H36 Br4 P2 Pt -","- C208 H288 Br32 P16 Pt8 -","8","2","","Bao-Yu Wang; Alice Raphael Karikachery; Yunjing Li; Anupam Singh; Han Baek Lee; Wenfang Sun; Paul R. Sharp","Remarkable Bromination and Blue Emission of 9-Anthracenyl Pt(II) Complexes","Journal of the American Chemical Society","2009","131","","3150","3151","10.1021/ja809046p","","","0.71073","MoKα","","0.0728","0.047","","","0.0982","0.1095","","","","","","1.025","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104276","16.6032","0.0004","16.6032","0.0004","16.6032","0.0004","90","","90","","90","","4576.94","0.19","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 Fe8 La21 Sn7 -","- C12 Fe8 La21 Sn7 -","- C48 Fe32 La84 Sn28 -","4","0.0208333","","Evan M. Benbow; Naresh S. Dalal; Susan E. Latturner","Spin Glass Behavior of Isolated, Geometrically Frustrated Tetrahedra of Iron Atoms in the Intermetallic La21Fe8Sn7C12","Journal of the American Chemical Society","2009","131","","3349","3354","10.1021/ja809084n","","","0.71073","MoKα","","0.0233","0.0233","","","0.0533","0.0533","","","","","","1.517","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104277","16.4101","0.0002","16.4101","0.0002","16.4101","0.0002","90","","90","","90","","4419.1","0.09","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 Fe8 La21 Sb7 -","- C12 Fe8 La21 Sb7 -","- C48 Fe32 La84 Sb28 -","4","0.0208333","","Evan M. Benbow; Naresh S. Dalal; Susan E. Latturner","Spin Glass Behavior of Isolated, Geometrically Frustrated Tetrahedra of Iron Atoms in the Intermetallic La21Fe8Sn7C12","Journal of the American Chemical Society","2009","131","","3349","3354","10.1021/ja809084n","","","0.71073","MoKα","","0.0281","0.0281","","","0.0668","0.0668","","","","","","1.343","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104278","16.2911","0.0007","16.2911","0.0007","16.2911","0.0007","90","","90","","90","","4323.7","0.3","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 Al2.78 Fe8 La21 Te4.22 -","- C12 Al2.76 Fe8 La21 Te4.24 -","- C48 Al11.04 Fe32 La84 Te16.96 -","4","0.0208333","","Evan M. Benbow; Naresh S. Dalal; Susan E. Latturner","Spin Glass Behavior of Isolated, Geometrically Frustrated Tetrahedra of Iron Atoms in the Intermetallic La21Fe8Sn7C12","Journal of the American Chemical Society","2009","131","","3349","3354","10.1021/ja809084n","","","0.71073","MoKα","","0.0422","0.0422","","","0.0947","0.0947","","","","","","1.365","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104279","16.1589","0.0004","16.1589","0.0004","16.1589","0.0004","90","","90","","90","","4219.25","0.18","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 Al2.06 Fe8 Ge4.94 La21 -","- C12 Al2.058 Fe8 Ge4.942 La21 -","- C48 Al8.232 Fe32 Ge19.768 La84 -","4","0.0208333","","Evan M. Benbow; Naresh S. Dalal; Susan E. Latturner","Spin Glass Behavior of Isolated, Geometrically Frustrated Tetrahedra of Iron Atoms in the Intermetallic La21Fe8Sn7C12","Journal of the American Chemical Society","2009","131","","3349","3354","10.1021/ja809084n","","","0.71073","MoKα","","0.0208","0.0208","","","0.0483","0.0483","","","","","","1.58","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104280","16.4863","0.0005","16.4863","0.0005","16.4863","0.0005","90","","90","","90","","4480.9","0.2","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 Bi7 Fe8 La21 -","- C12 Bi7 Fe8 La21 -","- C48 Bi28 Fe32 La84 -","4","0.0208333","","Evan M. Benbow; Naresh S. Dalal; Susan E. Latturner","Spin Glass Behavior of Isolated, Geometrically Frustrated Tetrahedra of Iron Atoms in the Intermetallic La21Fe8Sn7C12","Journal of the American Chemical Society","2009","131","","3349","3354","10.1021/ja809084n","","","0.71073","MoKα","","0.0331","0.0326","","","0.0692","0.0694","","","","","","1.224","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104281","16.2992","0.0003","16.2992","0.0003","16.2992","0.0003","90","","90","","90","","4330.11","0.14","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 Bi7 Ce21 Fe8 -","- C12 Bi7 Ce21 Fe8 -","- C48 Bi28 Ce84 Fe32 -","4","0.0208333","","Evan M. Benbow; Naresh S. Dalal; Susan E. Latturner","Spin Glass Behavior of Isolated, Geometrically Frustrated Tetrahedra of Iron Atoms in the Intermetallic La21Fe8Sn7C12","Journal of the American Chemical Society","2009","131","","3349","3354","10.1021/ja809084n","","","0.71073","MoKα","","0.0244","0.0243","","","0.0483","0.0483","","","","","","1.5","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104282","16.2124","0.0005","16.2124","0.0005","16.2124","0.0005","90","","90","","90","","4261.3","0.2","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 Bi7 Fe8 Pr21 -","- C12 Bi7 Fe8 Pr21 -","- C48 Bi28 Fe32 Pr84 -","4","0.0208333","","Evan M. Benbow; Naresh S. Dalal; Susan E. Latturner","Spin Glass Behavior of Isolated, Geometrically Frustrated Tetrahedra of Iron Atoms in the Intermetallic La21Fe8Sn7C12","Journal of the American Chemical Society","2009","131","","3349","3354","10.1021/ja809084n","","","0.71073","MoKα","","0.026","0.0259","","","0.0584","0.0584","","","","","","1.546","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104283","8.192","0.0016","10.305","0.002","24.315","0.005","78.84","0.03","85.45","0.03","86.33","0.03","2005","0.7","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H51 B Br O P -","- C46 H51 B Br O P -","- C92 H102 B2 Br2 O2 P2 -","2","1","","Youngmin Kim; François P. Gabbaï","Cationic Boranes for the Complexation of Fluoride Ions in Water below the 4 ppm Maximum Contaminant Level","Journal of the American Chemical Society","2009","131","","3363","3369","10.1021/ja8091467","","","0.71073","MoKα","","0.083","0.0578","","","0.1233","0.1354","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104284","22.702","0.004","14.908","0.004","22.802","0.005","90","","112.368","0.004","90","","7136","3","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H44 B Cl O1.5 P -","- C42.5 H44 B Cl O1.5 P -","- C340 H352 B8 Cl8 O12 P8 -","8","1","","Youngmin Kim; François P. Gabbaï","Cationic Boranes for the Complexation of Fluoride Ions in Water below the 4 ppm Maximum Contaminant Level","Journal of the American Chemical Society","2009","131","","3363","3369","10.1021/ja8091467","","","0.71073","MoKα","","0.0686","0.0478","","","0.1386","0.1608","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104285","12.262","0.003","12.756","0.003","12.976","0.003","73.4","0.03","77.77","0.03","62.25","0.03","1713.9","0.9","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H41 B Cl3 O P -","- C38 H41 B Cl3 O P -","- C76 H82 B2 Cl6 O2 P2 -","2","1","","Youngmin Kim; François P. Gabbaï","Cationic Boranes for the Complexation of Fluoride Ions in Water below the 4 ppm Maximum Contaminant Level","Journal of the American Chemical Society","2009","131","","3363","3369","10.1021/ja8091467","","","0.71073","MoKα","","0.1303","0.084","","","0.1596","0.1739","","","","","","1.008","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4104286","18.988","0.004","19.806","0.004","19.918","0.004","99.42","0.03","104.07","0.03","99.53","0.03","7001","3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H84 B2 Cl2 F2 P2 -","- C85 H84 B2 Cl2 F2 P2 -","- C340 H336 B8 Cl8 F8 P8 -","4","2","","Youngmin Kim; François P. Gabbaï","Cationic Boranes for the Complexation of Fluoride Ions in Water below the 4 ppm Maximum Contaminant Level","Journal of the American Chemical Society","2009","131","","3363","3369","10.1021/ja8091467","","","0.71073","MoKα","","0.1001","0.0717","","","0.1476","0.1669","","","","","","1.003","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4104287","15.021","0.003","15.613","0.002","49.722","0.009","90","","90","","90","","11661","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C103 H128 B6 Cl16 N6 O12 -","- C103 H128 B6 Cl16 N6 O12 -","- C412 H512 B24 Cl64 N24 O48 -","4","1","","Burçak Içli; Nicolas Christinat; Justus Tönnemann; Christian Schüttler; Rosario Scopelliti; Kay Severin","Synthesis of Molecular Nanostructures by Multicomponent Condensation Reactions in a Ball Mill","Journal of the American Chemical Society","2009","131","","3154","3155","10.1021/ja809279s","","","0.71073","MoKα","","0.0968","0.0739","","","0.1833","0.201","","","","","","1.102","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104288","17.665","0.008","18.127","0.01","30.45","0.03","82.86","0.07","74.86","0.06","63.57","0.04","8428","11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H120 B6 N6 O12 -","- C123 H120 B6 N6 O12 -","- C246 H240 B12 N12 O24 -","2","1","","Burçak Içli; Nicolas Christinat; Justus Tönnemann; Christian Schüttler; Rosario Scopelliti; Kay Severin","Synthesis of Molecular Nanostructures by Multicomponent Condensation Reactions in a Ball Mill","Journal of the American Chemical Society","2009","131","","3154","3155","10.1021/ja809279s","","","0.71073","MoKα","","0.2687","0.1541","","","0.3645","0.4199","","","","","","0.967","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104289","9.543","0.003","11.132","0.004","17.869","0.006","94.962","0.004","92.843","0.004","111.105","0.004","1757.6","1","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H56 Si6 -","- C30 H56 Si6 -","- C60 H112 Si12 -","2","1","","Takeaki Iwamoto; Maiko Kobayashi; Kei Uchiyama; Shin Sasaki; Selvarajan Nagendran; Hiroyuki Isobe; Mitsuo Kira","Anthryl-Substituted Trialkyldisilene Showing Distinct Intramolecular Charge-Transfer Transition","Journal of the American Chemical Society","2009","131","","3156","3157","10.1021/ja8093313","","","0.71073","MoKα","","0.1139","0.0624","","","0.1331","0.1508","","","","","","1.056","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104290","9.09","0.003","11.235","0.004","19.544","0.007","105.125","0.004","90.687","0.004","103.759","0.004","1865.7","1.1","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H58 Si6 -","- C34 H58 Si6 -","- C68 H116 Si12 -","2","1","","Takeaki Iwamoto; Maiko Kobayashi; Kei Uchiyama; Shin Sasaki; Selvarajan Nagendran; Hiroyuki Isobe; Mitsuo Kira","Anthryl-Substituted Trialkyldisilene Showing Distinct Intramolecular Charge-Transfer Transition","Journal of the American Chemical Society","2009","131","","3156","3157","10.1021/ja8093313","","","0.71073","MoKα","","0.1836","0.082","","","0.1767","0.2264","","","","","","1.039","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104291","22.011","0.006","11.173","0.003","15.114","0.004","90","","90","","90","","3717","1.7","173","","173","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C34 H58 Si6 -","- C34 H58 Si6 -","- C136 H232 Si24 -","4","1","","Takeaki Iwamoto; Maiko Kobayashi; Kei Uchiyama; Shin Sasaki; Selvarajan Nagendran; Hiroyuki Isobe; Mitsuo Kira","Anthryl-Substituted Trialkyldisilene Showing Distinct Intramolecular Charge-Transfer Transition","Journal of the American Chemical Society","2009","131","","3156","3157","10.1021/ja8093313","","","0.71073","MoKα","","0.0555","0.0461","","","0.1122","0.1182","","","","","","1.036","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104292","14.307","0.003","14.724","0.003","19.63","0.003","101.863","0.003","96.16","0.003","99.59","0.003","3947.1","1.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H130 K2 O4 Si12 -","- C56 H130 K2 O4 Si12 -","- C112 H260 K4 O8 Si24 -","2","1","","Takeaki Iwamoto; Maiko Kobayashi; Kei Uchiyama; Shin Sasaki; Selvarajan Nagendran; Hiroyuki Isobe; Mitsuo Kira","Anthryl-Substituted Trialkyldisilene Showing Distinct Intramolecular Charge-Transfer Transition","Journal of the American Chemical Society","2009","131","","3156","3157","10.1021/ja8093313","","","0.7107","MoKα","","0.1374","0.0855","","","0.1781","0.2044","","","","","","1.246","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104293","9.701","0.002","11.374","0.002","14.341","0.002","78.216","0.01","87.051","0.011","83.926","0.012","1539.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H32 N P -","- C45 H32 N P -","- C90 H64 N2 P2 -","2","1","","Sébastien Graule; Mark Rudolph; Nicolas Vanthuyne; Jochen Autschbach; Christian Roussel; Jeanne Crassous; Régis Réau","Metal-Bis(helicene) Assemblies Incorporating π-Conjugated Phosphole-Azahelicene Ligands: Impacting Chiroptical Properties by Metal Variation","Journal of the American Chemical Society","2009","131","","3183","3185","10.1021/ja809396f","","","0.71069","MoKα","","0.1713","0.0791","","","0.1615","0.1921","","","","","","1.022","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104294","7.6139","0.0004","12.7418","0.0007","24.1476","0.0014","90","","90","","90","","2342.7","0.2","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O5 S -","- C24 H31 N O5 S -","- C96 H124 N4 O20 S4 -","4","1","","Tim A. Cernak; Tristan H. Lambert","Multicatalytic Synthesis of α-Pyrrolidinyl Ketones via a Tandem Palladium(II)/Indium(III)-Catalyzed Aminochlorocarbonylation/Friedel-Crafts Acylation Reaction","Journal of the American Chemical Society","2009","131","","3124","3125","10.1021/ja809897f","","","0.71073","MoKα","","0.0329","0.0312","","","0.0863","0.0878","","","","","","1.046","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104295","8.0637","0.0007","12.3948","0.0011","31.67","0.003","90","","90","","90","","3165.4","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","1","","Thomas Tricotet; Patricia Fleming; Juliet Cotter; Anne-Marie L. Hogan; Carsten Strohmann; Viktoria H. Gessner; Donal F. O'Shea","Selective Vinyl C-H Lithiation of cis-Stilbenes","Journal of the American Chemical Society","2009","131","","3142","3143","10.1021/ja809941n","","","0.71073","MoKα","","0.0437","0.0356","","","0.0831","0.0871","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104296","16.132","0.004","20.076","0.005","8.573","0.002","90","","99.491","0.005","90","","2738.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 B O3 -","- C15 H15 B O3 -","- C120 H120 B8 O24 -","8","2","","Thomas Tricotet; Patricia Fleming; Juliet Cotter; Anne-Marie L. Hogan; Carsten Strohmann; Viktoria H. Gessner; Donal F. O'Shea","Selective Vinyl C-H Lithiation of cis-Stilbenes","Journal of the American Chemical Society","2009","131","","3142","3143","10.1021/ja809941n","","","0.71073","MoKα","","0.0675","0.0421","","","0.0968","0.1081","","","","","","1.029","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104297","8.5986","0.0015","9.1115","0.0017","9.5605","0.0017","101.637","0.004","100.532","0.003","91.312","0.004","719.9","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C34 H32 O8 -","2","1","","Thomas Tricotet; Patricia Fleming; Juliet Cotter; Anne-Marie L. Hogan; Carsten Strohmann; Viktoria H. Gessner; Donal F. O'Shea","Selective Vinyl C-H Lithiation of cis-Stilbenes","Journal of the American Chemical Society","2009","131","","3142","3143","10.1021/ja809941n","","","0.71073","MoKα","","0.0584","0.0487","","","0.1286","0.1354","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104298","11.0571","0.0009","9.5058","0.0008","16.076","0.0013","90","","107.335","0.002","90","","1612.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C88 H64 O8 -","4","1","","Thomas Tricotet; Patricia Fleming; Juliet Cotter; Anne-Marie L. Hogan; Carsten Strohmann; Viktoria H. Gessner; Donal F. O'Shea","Selective Vinyl C-H Lithiation of cis-Stilbenes","Journal of the American Chemical Society","2009","131","","3142","3143","10.1021/ja809941n","","","0.71073","MoKα","","0.0521","0.0457","","","0.1208","0.1256","","","","","","1.035","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104299","8.9728","0.0006","9.1409","0.0007","31.088","0.002","87.023","0.001","85.209","0.001","61.503","0.001","2232.8","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31 Cl2 Ga N2 -","- C20 H31 Cl2 Ga N2 -","- C80 H124 Cl8 Ga4 N8 -","4","2","","Brandon Quillian; Pingrong Wei; Chaitanya S. Wannere; Paul v. R. Schleyer; Gregory H. Robinson","A Neutral Ga6 Octahedron: Synthesis, Structure, and Aromaticity","Journal of the American Chemical Society","2009","131","","3168","3169","10.1021/ja809945v","","","0.71073","MoKα","","0.0449","0.0373","","","0.0992","0.1031","","","","","","1.064","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104300","15.0926","0.0019","14.3561","0.0019","20.16","0.003","90","","103.844","0.002","90","","4241.2","1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cl2 Ga2 N4 -","- C40 H62 Cl2 Ga2 N4 -","- C160 H248 Cl8 Ga8 N16 -","4","1","","Brandon Quillian; Pingrong Wei; Chaitanya S. Wannere; Paul v. R. Schleyer; Gregory H. Robinson","A Neutral Ga6 Octahedron: Synthesis, Structure, and Aromaticity","Journal of the American Chemical Society","2009","131","","3168","3169","10.1021/ja809945v","","","0.71073","MoKα","","0.1683","0.057","","","0.1235","0.1766","","","","","","1.025","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104301","19.6044","0.0013","22.9053","0.0015","32.804","0.002","90","","90","","90","","14730.5","1.6","273","2","273","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C72 H100 Ga6 N4 -","- C72 H100 Ga6 N4 -","- C576 H800 Ga48 N32 -","8","0.25","","Brandon Quillian; Pingrong Wei; Chaitanya S. Wannere; Paul v. R. Schleyer; Gregory H. Robinson","A Neutral Ga6 Octahedron: Synthesis, Structure, and Aromaticity","Journal of the American Chemical Society","2009","131","","3168","3169","10.1021/ja809945v","","","0.71073","MoKα","","0.1176","0.057","","","0.1483","0.1814","","","","","","1.049","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104302","16.823","0.0004","15.869","0.0007","17.917","0.0008","90","","90","","90","","4783.2","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","pentafluorophenyltetrahedrane","","- C19 H27 F5 Si3 -","- C19 H27 F5 Si3 -","- C152 H216 F40 Si24 -","8","1","","Masaaki Nakamoto; Yusuke Inagaki; Motoaki Nishina; Akira Sekiguchi","Perfluoroaryltetrahedranes: Tetrahedranes with Extended σ-π Conjugation","Journal of the American Chemical Society","2009","131","","3172","3173","10.1021/ja810055w","","","0.7107","MoKα","","0.0684","0.0496","","","0.1311","0.1455","","","","","","1.046","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104303","10.057","0.0003","22.355","0.0009","16.017","0.0006","90","","122.588","0.003","90","","3034.1","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-phenylethynyl(2,3,5,6-tetrafluorophenylene)-4-tetrahedrane","","- C27 H32 F4 Si3 -","- C27 H32 F4 Si3 -","- C108 H128 F16 Si12 -","4","1","","Masaaki Nakamoto; Yusuke Inagaki; Motoaki Nishina; Akira Sekiguchi","Perfluoroaryltetrahedranes: Tetrahedranes with Extended σ-π Conjugation","Journal of the American Chemical Society","2009","131","","3172","3173","10.1021/ja810055w","","","0.7107","MoKα","","0.0579","0.0483","","","0.138","0.1461","","","","","","1.038","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104304","8.5896","0.0003","10.1995","0.0003","37.4208","0.0012","90","","90","","90","","3278.42","0.18","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","C18H28O3","","","- C18 H28 O3 -","- C18 H28 O3 -","- C144 H224 O24 -","8","2","","Hyoungsu Kim; Joseph B. Baker; Su-Ui Lee; Yongho Park; Kyle L. Bolduc; Hyung-Bae Park; Marina G. Dickens; Dong-Sup Lee; Yongchul Kim; Seong Hwan Kim; Jiyong Hong","Stereoselective Synthesis and Osteogenic Activity of Subglutinols A and B","Journal of the American Chemical Society","2009","131","","3192","3194","10.1021/ja8101192","","","0.71073","MoKα","","0.0524","0.0406","","","0.1066","0.1167","","","","","","1.026","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104305","8.1782","0.0003","11.0055","0.0004","17.9809","0.0007","90","","90","","90","","1618.37","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","","Hyoungsu Kim; Joseph B. Baker; Su-Ui Lee; Yongho Park; Kyle L. Bolduc; Hyung-Bae Park; Marina G. Dickens; Dong-Sup Lee; Yongchul Kim; Seong Hwan Kim; Jiyong Hong","Stereoselective Synthesis and Osteogenic Activity of Subglutinols A and B","Journal of the American Chemical Society","2009","131","","3192","3194","10.1021/ja8101192","","","0.71073","MoKα","","0.0582","0.047","","","0.1355","0.1465","","","","","","1.282","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4104306","10.8584","0.0007","13.805","0.0008","21.2206","0.0012","89.015","0.003","88.661","0.003","72.957","0.003","3040.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H68 N6 O13 -","- C64 H68 N6 O13 -","- C128 H136 N12 O26 -","2","1","","Begoña Verdejo; Guzmán Gil-Ramírez; Pablo Ballester","Molecular Recognition of Pyridine N-Oxides in Water Using Calix[4]pyrrole Receptors","Journal of the American Chemical Society","2009","131","","3178","3179","10.1021/ja900151u","","","0.71073","MoKα","","0.1229","0.0927","","","0.2648","0.2923","","","","","","1.052","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4104307","11.164","0.004","15.33","0.005","21.339","0.007","76.829","0.007","77.781","0.009","80.682","0.008","3451","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H80 N8 O14 -","- C77 H80 N8 O14 -","- C154 H160 N16 O28 -","2","1","","Begoña Verdejo; Guzmán Gil-Ramírez; Pablo Ballester","Molecular Recognition of Pyridine N-Oxides in Water Using Calix[4]pyrrole Receptors","Journal of the American Chemical Society","2009","131","","3178","3179","10.1021/ja900151u","","","0.71073","MoKα","","0.1695","0.0898","","","0.234","0.2744","","","","","","1.043","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4104308","11.0003","0.0005","13.8639","0.0006","21.2479","0.0009","87.207","0.002","85.586","0.002","73.617","0.002","3098.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H74 N7 O14.5 -","- C69 H74 N7 O14.5 -","- C138 H148 N14 O29 -","2","1","","Begoña Verdejo; Guzmán Gil-Ramírez; Pablo Ballester","Molecular Recognition of Pyridine N-Oxides in Water Using Calix[4]pyrrole Receptors","Journal of the American Chemical Society","2009","131","","3178","3179","10.1021/ja900151u","","","0.71073","MoKα","","0.0861","0.0635","","","0.1721","0.1897","","","","","","1.035","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4104309","23.2455","0.0004","8.1765","0.0001","15.5145","0.0003","90","","99.6491","0.0003","90","","2907.07","0.08","90","1","90","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 Ti -","- C17 H24 Ti -","- C136 H192 Ti8 -","8","1","","Stephan Scheins; Marc Messerschmidt; Milan Gembicky; Mateusz Pitak; Anatoliy Volkov; Philip Coppens; Benjamin G. Harvey; Gregory C. Turpin; Atta M. Arif; Richard D. Ernst","Charge Density Analysis of the (C-C)\ρightarrowTi Agostic Interactions in a Titanacyclobutane Complex","Journal of the American Chemical Society","2009","131","","6154","6160","10.1021/ja807649k","","","0.71073","MoKα","","0.0253","0.0113","","","","0.01","","","","","","1.8177","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104310","15.3079","0.0012","17.8336","0.0014","20.3259","0.0016","90","","108.407","0.001","90","","5265","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H58 B2 Co2 F8 N8 O5 -","- C51 H58 B2 Co2 F8 N8 O5 -","- C204 H232 B8 Co8 F32 N32 O20 -","4","1","","Kil Sik Min; Antonio G. DiPasquale; Arnold L. Rheingold; Henry S. White; Joel S. Miller","Observation of Redox-Induced Electron Transfer and Spin Crossover for Dinuclear Cobalt and Iron Complexes with the 2,5-Di-tert-butyl-3,6-dihydroxy-1,4-benzoquinonate Bridging Ligand","Journal of the American Chemical Society","2009","131","","6229","6236","10.1021/ja900909u","","","0.71073","MoKα","","0.0567","0.048","","","0.1274","0.132","","","","","","1.099","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104311","24.12","0.002","15.4044","0.0013","17.0578","0.0014","90","","116.964","0.001","90","","5648.9","0.8","208","2","208","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H60 B3 Co2 F12 N10 O4 -","- C54 H60 B2 Co2 F8 N10 O4 -","- C216 H240 B8 Co8 F32 N40 O16 -","4","0.5","","Kil Sik Min; Antonio G. DiPasquale; Arnold L. Rheingold; Henry S. White; Joel S. Miller","Observation of Redox-Induced Electron Transfer and Spin Crossover for Dinuclear Cobalt and Iron Complexes with the 2,5-Di-tert-butyl-3,6-dihydroxy-1,4-benzoquinonate Bridging Ligand","Journal of the American Chemical Society","2009","131","","6229","6236","10.1021/ja900909u","","","0.71073","MoKα","","0.0642","0.055","","","0.1375","0.1428","","","","","","1.074","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104312","17.953","0.003","19.739","0.003","19.19","0.003","90","","109.888","0.002","90","","6394.9","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","KS-127-03A","","","- C56 H63 B4 Co2 F16 N14 O4 -","- C50 H54 Co2 N8 O4 -","- C200 H216 Co8 N32 O16 -","4","1","","Kil Sik Min; Antonio G. DiPasquale; Arnold L. Rheingold; Henry S. White; Joel S. Miller","Observation of Redox-Induced Electron Transfer and Spin Crossover for Dinuclear Cobalt and Iron Complexes with the 2,5-Di-tert-butyl-3,6-dihydroxy-1,4-benzoquinonate Bridging Ligand","Journal of the American Chemical Society","2009","131","","6229","6236","10.1021/ja900909u","","","0.71073","MoKα","","0.1047","0.0778","","","0.1916","0.2041","","","","","","1.037","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104313","15.245","0.002","18.481","0.003","19.241","0.003","90","","107.588","0.002","90","","5167.6","1.3","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","KS-129-03","","","- C50 H54 B2 F8 Fe2 N8 O4 -","- C50 H54 B2 F8 Fe2 N8 O4 -","- C200 H216 B8 F32 Fe8 N32 O16 -","4","1","","Kil Sik Min; Antonio G. DiPasquale; Arnold L. Rheingold; Henry S. White; Joel S. Miller","Observation of Redox-Induced Electron Transfer and Spin Crossover for Dinuclear Cobalt and Iron Complexes with the 2,5-Di-tert-butyl-3,6-dihydroxy-1,4-benzoquinonate Bridging Ligand","Journal of the American Chemical Society","2009","131","","6229","6236","10.1021/ja900909u","","","0.71073","MoKα","","0.1183","0.0864","","","0.2438","0.2738","","","","","","1.033","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104314","15.3981","0.0016","18.5528","0.0019","19.548","0.002","90","","107.824","0.002","90","","5316.4","0.9","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","KS-129-03","","","- C50 H54 B2 F8 Fe2 N8 O4 -","- C50 H54 Fe2 N8 O4 -","- C200 H216 Fe8 N32 O16 -","4","1","","Kil Sik Min; Antonio G. DiPasquale; Arnold L. Rheingold; Henry S. White; Joel S. Miller","Observation of Redox-Induced Electron Transfer and Spin Crossover for Dinuclear Cobalt and Iron Complexes with the 2,5-Di-tert-butyl-3,6-dihydroxy-1,4-benzoquinonate Bridging Ligand","Journal of the American Chemical Society","2009","131","","6229","6236","10.1021/ja900909u","","","0.71073","MoKα","","0.073","0.0598","","","0.1782","0.1883","","","","","","1.097","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104315","27.857","0.004","7.1869","0.001","13.0085","0.0018","90","","115.185","0.002","90","","2356.8","0.6","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C50 H26 Br4 F14 N2 O4 -","- C50 H26 Br4 F14 N2 O4 -","- C100 H52 Br8 F28 N4 O8 -","2","0.5","","Rüdiger Schmidt; Joon Hak Oh; Ya-Sen Sun; Manuela Deppisch; Ana-Maria Krause; Krzysztof Radacki; Holger Braunschweig; Martin Könemann; Peter Erk; Zhenan Bao; Frank Würthner","High-Performance Air-Stable n-Channel Organic Thin Film Transistors Based on Halogenated Perylene Bisimide Semiconductors","Journal of the American Chemical Society","2009","131","","6215","6228","10.1021/ja901077a","","","0.71073","MoKα","","0.0316","0.0291","","","0.0726","0.0739","","","","","","1.056","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104316","31.88","0.002","8.5607","0.0006","10.1357","0.0007","90","","90","","90","","2766.2","0.3","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","perylen","","","- C36 H6 F12 N2 O4 -","- C36 H6 F12 N2 O4 -","- C144 H24 F48 N8 O16 -","4","0.5","","Rüdiger Schmidt; Joon Hak Oh; Ya-Sen Sun; Manuela Deppisch; Ana-Maria Krause; Krzysztof Radacki; Holger Braunschweig; Martin Könemann; Peter Erk; Zhenan Bao; Frank Würthner","High-Performance Air-Stable n-Channel Organic Thin Film Transistors Based on Halogenated Perylene Bisimide Semiconductors","Journal of the American Chemical Society","2009","131","","6215","6228","10.1021/ja901077a","","","0.71073","MoKα","","0.0487","0.0406","","","0.1072","0.1127","","","","","","1.101","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104317","4.9104","0.0004","8.4835","0.0007","16.2891","0.0013","97.489","0.004","94.373","0.004","98.033","0.004","663.08","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H12 F14 N2 O4 -","- C32 H12 F14 N2 O4 -","- C32 H12 F14 N2 O4 -","1","0.5","","Rüdiger Schmidt; Joon Hak Oh; Ya-Sen Sun; Manuela Deppisch; Ana-Maria Krause; Krzysztof Radacki; Holger Braunschweig; Martin Könemann; Peter Erk; Zhenan Bao; Frank Würthner","High-Performance Air-Stable n-Channel Organic Thin Film Transistors Based on Halogenated Perylene Bisimide Semiconductors","Journal of the American Chemical Society","2009","131","","6215","6228","10.1021/ja901077a","","","0.71073","MoKα","","0.0463","0.0352","","","0.0935","0.0995","","","","","","1.057","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104318","27.0649","0.0012","7.0704","0.0003","26.3217","0.0013","90","","114.671","0.005","90","","4577.1","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C50 H26 Cl4 F14 N2 O4 -","- C50 H26 Cl4 F14 N2 O4 -","- C200 H104 Cl16 F56 N8 O16 -","4","1","","Rüdiger Schmidt; Joon Hak Oh; Ya-Sen Sun; Manuela Deppisch; Ana-Maria Krause; Krzysztof Radacki; Holger Braunschweig; Martin Könemann; Peter Erk; Zhenan Bao; Frank Würthner","High-Performance Air-Stable n-Channel Organic Thin Film Transistors Based on Halogenated Perylene Bisimide Semiconductors","Journal of the American Chemical Society","2009","131","","6215","6228","10.1021/ja901077a","","","0.71073","MoKα","","0.1156","0.0507","","","0.0903","0.1129","","","","","","1.042","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104319","11.7846","0.0011","12.0337","0.0013","13.2301","0.0011","103.663","0.003","100.758","0.003","117.633","0.003","1516.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H4 Cl4 F10 N2 O4 -","- C36 H4 Cl4 F10 N2 O4 -","- C72 H8 Cl8 F20 N4 O8 -","2","1","","Rüdiger Schmidt; Joon Hak Oh; Ya-Sen Sun; Manuela Deppisch; Ana-Maria Krause; Krzysztof Radacki; Holger Braunschweig; Martin Könemann; Peter Erk; Zhenan Bao; Frank Würthner","High-Performance Air-Stable n-Channel Organic Thin Film Transistors Based on Halogenated Perylene Bisimide Semiconductors","Journal of the American Chemical Society","2009","131","","6215","6228","10.1021/ja901077a","","","0.71073","MoKα","","0.0298","0.0257","","","0.0662","0.069","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104320","11.928","0.003","13.092","0.003","15.633","0.004","90","","109.959","0.003","90","","2294.6","1","123.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Fe N2 -","- C24 H34 Fe N2 -","- C96 H136 Fe4 N8 -","4","1","","Daisuke Noda; Yusuke Sunada; Takuji Hatakeyama; Masaharu Nakamura; Hideo Nagashima","Effect of TMEDA on Iron-Catalyzed Coupling Reactions of ArMgX with Alkyl Halides","Journal of the American Chemical Society","2009","131","","6078","6079","10.1021/ja901262g","","","0.7107","MoKα","","","0.067","","","","0.2314","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104321","15.405","0.002","8.594","0.0009","13.0859","0.0016","90","","90","","90","","1732.4","0.4","123.1","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H27 Br Fe N2 -","- C15 H27 Br Fe N2 -","- C60 H108 Br4 Fe4 N8 -","4","1","","Daisuke Noda; Yusuke Sunada; Takuji Hatakeyama; Masaharu Nakamura; Hideo Nagashima","Effect of TMEDA on Iron-Catalyzed Coupling Reactions of ArMgX with Alkyl Halides","Journal of the American Chemical Society","2009","131","","6078","6079","10.1021/ja901262g","","","0.7107","MoKα","","","0.0482","","","","0.1197","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104322","15.578","0.003","9.1704","0.0018","19.993","0.004","90","","90","","90","","2856.1","1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H28 Al2 Ge7 N2 O18 -","- C10 H28 Al1.98 Ge7.02 N2 O18 -","- C40 H112 Al7.92 Ge28.08 N8 O72 -","4","0.5","","Jie Su; Yingxia Wang; Zheming Wang; Jianhua Lin","PKU-9: An Aluminogermanate with a New Three-Dimensional Zeolite Framework Constructed from CGS Layers and Spiro-5 Units","Journal of the American Chemical Society","2009","131","","6080","6081","10.1021/ja901330u","","","0.71073","MoKα","","0.078","0.0428","","","0.1218","0.1301","","","","","","1.025","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104323","26.292","0.003","26.292","0.003","26.292","0.003","90","","90","","90","","18175","4","100","2","100","2","","","","","","","","6","P 4 3 2","P 4 2 3","207","","","","- C11.58 H15.25 B0.67 Li0.67 N5.67 O0.17 -","- C11.5601 H15.2228 B0.666667 Li0.666667 N5.66267 O0.166667 -","- C416.165 H548.021 B24 Li24 N203.856 O6 -","36","1.5","","Tao Wu; Jian Zhang; Cong Zhou; Le Wang; Xianhui Bu; Pingyun Feng","Zeolite RHO-Type Net with the Lightest Elements","Journal of the American Chemical Society","2009","131","","6111","6113","10.1021/ja901725v","","","0.71073","MoKα","","0.1493","0.1161","","","0.2805","0.3297","","","","","","1.469","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104324","26.8152","0.0001","26.8152","0.0001","26.8152","0.0001","90","","90","","90","","19281.6","0.12","150","2","150","2","","","","","","","","5","P 4 3 2","P 4 2 3","207","","","","- C20.5 H23.5 B Cu N8 -","- C20.5 H23.5 B Cu N8 -","- C492 H564 B24 Cu24 N192 -","24","1","","Tao Wu; Jian Zhang; Cong Zhou; Le Wang; Xianhui Bu; Pingyun Feng","Zeolite RHO-Type Net with the Lightest Elements","Journal of the American Chemical Society","2009","131","","6111","6113","10.1021/ja901725v","","","0.71073","MoKα","","0.0726","0.0538","","","0.1706","0.1967","","","","","","1.186","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104325","8.9278","0.0001","9.5465","0.0001","21.1523","0.0003","90","","99.338","0.001","90","","1778.9","0.04","293","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 B N8 -","- C16 H21 B N8 -","- C64 H84 B4 N32 -","4","1","","Tao Wu; Jian Zhang; Cong Zhou; Le Wang; Xianhui Bu; Pingyun Feng","Zeolite RHO-Type Net with the Lightest Elements","Journal of the American Chemical Society","2009","131","","6111","6113","10.1021/ja901725v","","","0.71073","MoKα","","0.0663","0.046","","","0.1319","0.1466","","","","","","1.016","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104326","18.4911","0.0007","18.4911","0.0007","13.9617","0.001","90","","90","","90","","4773.8","0.4","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C20 H34 B N9 O2 -","- C20 H31 B N9 O2 -","- C160 H248 B8 N72 O16 -","8","1","","Tao Wu; Jian Zhang; Cong Zhou; Le Wang; Xianhui Bu; Pingyun Feng","Zeolite RHO-Type Net with the Lightest Elements","Journal of the American Chemical Society","2009","131","","6111","6113","10.1021/ja901725v","","","0.71073","MoKα","","0.0885","0.0702","","","0.1895","0.2067","","","","","","1.032","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104327","10.598","0.0004","10.6009","0.0005","21.6596","0.0009","93.65","0.003","100.36","0.003","90.017","0.003","2388.72","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.11 H2.22 B0.11 Li0.11 N0.89 -","- C3.11111 H2.22222 B0.111111 Li0.111111 N0.888889 -","- C112 H80 B4 Li4 N32 -","36","18","","Tao Wu; Jian Zhang; Cong Zhou; Le Wang; Xianhui Bu; Pingyun Feng","Zeolite RHO-Type Net with the Lightest Elements","Journal of the American Chemical Society","2009","131","","6111","6113","10.1021/ja901725v","","","0.71073","MoKα","","0.2292","0.1706","","","0.4101","0.4546","","","","","","1.18","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104328","10.6599","0.0002","10.6608","0.0002","21.2449","0.0005","86.299","0.001","79.483","0.001","89.989","0.001","2368.66","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 B Cu N8 -","- C28 H20 B Cu N8 -","- C112 H80 B4 Cu4 N32 -","4","2","","Tao Wu; Jian Zhang; Cong Zhou; Le Wang; Xianhui Bu; Pingyun Feng","Zeolite RHO-Type Net with the Lightest Elements","Journal of the American Chemical Society","2009","131","","6111","6113","10.1021/ja901725v","","","0.71073","MoKα","","0.1704","0.1308","","","0.3223","0.3465","","","","","","1.107","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104329","18.6069","0.0006","18.6069","0.0006","22.6226","0.0014","90","","90","","120","","6783","0.5","213","2","213","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","MAMS-2","","","- C18 H18 O5 Zn -","- C18 H16 O5 Zn -","- C216 H192 O60 Zn12 -","12","1","","Shengqian Ma; Daofeng Sun; Daqiang Yuan; Xi-Sen Wang; Hong-Cai Zhou","Preparation and Gas Adsorption Studies of Three Mesh-Adjustable Molecular Sieves with a Common Structure","Journal of the American Chemical Society","2009","131","","6445","6451","10.1021/ja808896f","","","0.71073","MoKα","","0.09","0.0746","","","0.2043","0.2136","","","","","","1.06","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104330","18.9328","0.0012","18.9328","0.0012","22.307","0.003","90","","90","","120","","6924.7","1.1","213","2","213","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","MAMS-3","","","- C18 H18 Co O5 -","- C18 H16 Co O5 -","- C216 H192 Co12 O60 -","12","1","","Shengqian Ma; Daofeng Sun; Daqiang Yuan; Xi-Sen Wang; Hong-Cai Zhou","Preparation and Gas Adsorption Studies of Three Mesh-Adjustable Molecular Sieves with a Common Structure","Journal of the American Chemical Society","2009","131","","6445","6451","10.1021/ja808896f","","","0.71073","MoKα","","0.0832","0.0665","","","0.203","0.2098","","","","","","1.064","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104331","18.4472","0.0004","18.4472","0.0004","22.576","0.0012","90","","90","","120","","6653.3","0.4","213","2","213","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","MAMS-4","","","- C18 H18 Cu O5 -","- C18 H16 Cu O5 -","- C216 H192 Cu12 O60 -","12","1","","Shengqian Ma; Daofeng Sun; Daqiang Yuan; Xi-Sen Wang; Hong-Cai Zhou","Preparation and Gas Adsorption Studies of Three Mesh-Adjustable Molecular Sieves with a Common Structure","Journal of the American Chemical Society","2009","131","","6445","6451","10.1021/ja808896f","","","0.71073","MoKα","","0.0936","0.0731","","","0.2152","0.2268","","","","","","1.093","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104332","18.037","0.002","15.732","0.001","19.141","0.002","90","","115.677","0.001","90","","4895.1","0.8","111.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H66 B N2 Yb -","- C60 H66 B N2 Yb -","- C240 H264 B4 N8 Yb4 -","4","0.5","","Corwin H. Booth; Marc D. Walter; Daniel Kazhdan; Yung-Jin Hu; Wayne W. Lukens; Eric D. Bauer; Laurent Maron; Odile Eisenstein; Richard A. Andersen","Decamethylytterbocene Complexes of Bipyridines and Diazabutadienes: Multiconfigurational Ground States and Open-Shell Singlet Formation","Journal of the American Chemical Society","2009","131","","6480","6491","10.1021/ja809624w","","","0.7107","MoKα","","0.0545","0.0364","","0.0424","","0.0393","","","","","","1.397","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104333","13.702","0.003","9.152","0.002","17.958","0.005","90","","103.644","0.002","90","","2188.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C96 H104 N8 O24 -","4","1","","Hongchao Guo; Qihai Xu; Ohyun Kwon","Phosphine-Promoted [3 + 3] Annulations of Aziridines With Allenoates: Facile Entry Into Highly Functionalized Tetrahydropyridines","Journal of the American Chemical Society","2009","131","","6318","6319","10.1021/ja8097349","","","0.71073","MoKα","","0.0672","0.0467","","","0.1115","0.1227","","","","","","1.071","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104334","11.115","0.0015","10.6621","0.0015","16.808","0.002","90","","107.044","0.002","90","","1904.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N2 O6 -","- C19 H26 N2 O6 -","- C76 H104 N8 O24 -","4","1","","Hongchao Guo; Qihai Xu; Ohyun Kwon","Phosphine-Promoted [3 + 3] Annulations of Aziridines With Allenoates: Facile Entry Into Highly Functionalized Tetrahydropyridines","Journal of the American Chemical Society","2009","131","","6318","6319","10.1021/ja8097349","","","0.71073","MoKα","","0.1283","0.0611","","","0.136","0.1635","","","","","","1.024","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104335","25.038","0.004","12.0303","0.0016","9.8885","0.0015","90","","105.419","0.004","90","","2871.4","0.7","143","1","143","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 O2 -","- C14 H26 O2 -","- C112 H208 O16 -","8","1","","Mahmud M. Hussain; Hongmei Li; Nusrah Hussain; Mercedes Ureña; Patrick J. Carroll; Patrick J. Walsh","Applications of 1-Alkenyl-1,1-Heterobimetallics in the Stereoselective Synthesis of Cyclopropylboronate Esters, Trisubstituted Cyclopropanols and 2,3-Disubstituted Cyclobutanones","Journal of the American Chemical Society","2009","131","","6516","6524","10.1021/ja900147s","","","0.71073","MoKα","","0.0538","0.0431","","","0.1032","0.1114","","","","","","1.078","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104336","21.008","0.003","12.0889","0.0015","9.875","0.0013","90","","106.017","0.003","90","","2410.5","0.6","143","1","143","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H22 O2 -","- C11 H22 O2 -","- C88 H176 O16 -","8","1","","Mahmud M. Hussain; Hongmei Li; Nusrah Hussain; Mercedes Ureña; Patrick J. Carroll; Patrick J. Walsh","Applications of 1-Alkenyl-1,1-Heterobimetallics in the Stereoselective Synthesis of Cyclopropylboronate Esters, Trisubstituted Cyclopropanols and 2,3-Disubstituted Cyclobutanones","Journal of the American Chemical Society","2009","131","","6516","6524","10.1021/ja900147s","","","0.71073","MoKα","","0.0513","0.0416","","","0.1049","0.1135","","","","","","1.027","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104337","24.797","0.003","13.229","0.0012","9.6376","0.0009","90","","90","","90","","3161.5","0.6","143","1","143","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H18 Cl F3 O2 -","- C15 H18 Cl F3 O2 -","- C120 H144 Cl8 F24 O16 -","8","1","","Mahmud M. Hussain; Hongmei Li; Nusrah Hussain; Mercedes Ureña; Patrick J. Carroll; Patrick J. Walsh","Applications of 1-Alkenyl-1,1-Heterobimetallics in the Stereoselective Synthesis of Cyclopropylboronate Esters, Trisubstituted Cyclopropanols and 2,3-Disubstituted Cyclobutanones","Journal of the American Chemical Society","2009","131","","6516","6524","10.1021/ja900147s","","","0.71073","MoKα","","0.0738","0.0603","","","0.1596","0.1708","","","","","","1.062","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104338","28.63","0.03","6.521","0.007","40.62","0.04","90","","92.241","0.018","90","","7578","14","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C95 H16 F30 N8 O -","- C95 H16 F30 N8 O -","- C380 H64 F120 N32 O4 -","4","0.5","","Sung Cho; Jong Min Lim; Satoru Hiroto; Pyosang Kim; Hiroshi Shinokubo; Atsuhiro Osuka; Dongho Kim","Unusual Interchromophoric Interactions in β,β' Directly and Doubly Linked Corrole Dimers: Prohibited Electronic Communication and Abnormal Singlet Ground States","Journal of the American Chemical Society","2009","131","","6412","6420","10.1021/ja900220y","","","0.71073","MoKα","","0.1878","0.0946","","","0.2556","0.3159","","","","","","0.997","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104339","45.961","0.017","6.915","0.003","28.648","0.014","90","","115.291","0.014","90","","8232","6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H30 Cl8 F30 N8 -","- C88 H30.004 Cl8.002 F30 N8 -","- C352 H120.016 Cl32.008 F120 N32 -","4","0.5","","Sung Cho; Jong Min Lim; Satoru Hiroto; Pyosang Kim; Hiroshi Shinokubo; Atsuhiro Osuka; Dongho Kim","Unusual Interchromophoric Interactions in β,β' Directly and Doubly Linked Corrole Dimers: Prohibited Electronic Communication and Abnormal Singlet Ground States","Journal of the American Chemical Society","2009","131","","6412","6420","10.1021/ja900220y","","","0.71075","MoKα","","0.1358","0.0975","","","0.2748","0.3101","","","","","","1.085","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104340","14.9948","0.0004","39.4282","0.0008","16.3092","0.0004","90","","109.651","0.0011","90","","9080.7","0.4","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H69 Cl3 F30 N8 O2 Zn2 -","- C100 H69 Cl3 F30 N8 O2 Zn2 -","- C400 H276 Cl12 F120 N32 O8 Zn8 -","4","1","","Sung Cho; Jong Min Lim; Satoru Hiroto; Pyosang Kim; Hiroshi Shinokubo; Atsuhiro Osuka; Dongho Kim","Unusual Interchromophoric Interactions in β,β' Directly and Doubly Linked Corrole Dimers: Prohibited Electronic Communication and Abnormal Singlet Ground States","Journal of the American Chemical Society","2009","131","","6412","6420","10.1021/ja900220y","","","0.71069","MoKα","","0.1171","0.0875","","","0.2412","0.27","","","","","","1.027","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104341","20.138","0.003","13.595","0.002","26.549","0.003","90","","95.316","0.006","90","","7237.2","1.7","293","2","16","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Cu F6 N2 P3 -","- C40 H36 Cu F6 N2 P3 -","- C320 H288 Cu8 F48 N16 P24 -","8","2","","Vorontsov, Ivan I.; Graber, Tim; Kovalevsky, Andrey Yu.; Novozhilova, Irina V.; Gembicky, Milan; Chen, Yu-Sheng; Coppens, Philip","Capturing and Analyzing the Excited-State Structure of a Cu(I) Phenanthroline Complex by Time-Resolved Diffraction and Theoretical Calculations","Journal of the American Chemical Society","2009","131","18","6566","6573","10.1021/ja900921p","","","0.49594","monochromatic","","0.0819","0.0525","","","0.1281","0.1412","","","","","","1.027","","","","has coordinates","219211","2020-10-21","18:00:00",""
"4104342","20.1851","0.0005","13.6617","0.0003","26.5689","0.0006","90","","95.445","0.001","90","","7293.7","0.3","90","1","90","1","","","","","","","in-house chemical synthesis","6","P 1 21/c 1","-P 2ybc","14","Cu(dmp)(diphos)PF6","(2.9-Dimethyl-1,10-phenanthroline)-(1,2-bis(diphenylphosphino) ethane)-copper(i) hexafluorophosphate","","- C40 H36 Cu F6 N2 P3 -","- C40 H36 Cu F6 N2 P3 -","- C320 H288 Cu8 F48 N16 P24 -","8","2","","Vorontsov, Ivan I.; Graber, Tim; Kovalevsky, Andrey Yu.; Novozhilova, Irina V.; Gembicky, Milan; Chen, Yu-Sheng; Coppens, Philip","Capturing and Analyzing the Excited-State Structure of a Cu(I) Phenanthroline Complex by Time-Resolved Diffraction and Theoretical Calculations","Journal of the American Chemical Society","2009","131","18","6566","6573","10.1021/ja900921p","","","0.71073","MoKα","","0.061","0.0346","","","0.0739","0.0881","","","","","","1.048","","","","has coordinates","219211","2020-10-21","18:00:00",""
"4104343","3.6827","0.0004","3.6827","0.0004","25.934","0.006","90","","90","","120","","304.6","0.08","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Mn0.95 Rb1.57 S6 Sn2.05 -","- Mn0.96 Rb1.572 S6 Sn2.04 -","- Mn0.96 Rb1.572 S6 Sn2.04 -","1","0.0277778","","Manolis J. Manos; Mercouri G. Kanatzidis","Highly Efficient and Rapid Cs+ Uptake by the Layered Metal Sulfide K2xMnxSn3-xS6 (KMS-1)","Journal of the American Chemical Society","2009","131","","6599","6607","10.1021/ja900977p","","","0.71073","MoKα","","0.0437","0.0406","","","0.0986","0.0997","","","","","","1.26","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104344","3.6969","0.0005","3.6969","0.0005","25.403","0.005","90","","90","","120","","300.67","0.08","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- K1.9 Mn0.95 S6 Sn2.05 -","- K1.872 Mn0.93 S6 Sn2.07 -","- K1.872 Mn0.93 S6 Sn2.07 -","1","0.0277778","","Manolis J. Manos; Mercouri G. Kanatzidis","Highly Efficient and Rapid Cs+ Uptake by the Layered Metal Sulfide K2xMnxSn3-xS6 (KMS-1)","Journal of the American Chemical Society","2009","131","","6599","6607","10.1021/ja900977p","","","0.71073","MoKα","","0.0278","0.0264","","","0.0658","0.0686","","","","","","1.192","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104345","3.6139","0.0008","3.6139","0.0008","26.867","0.012","90","","90","","120","","303.88","0.17","293","2","273","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cs Mn0.95 S6 Sn2.05 -","- Cs0.993 Mn0.96 S6 Sn2.04 -","- Cs0.993 Mn0.96 S6 Sn2.04 -","1","0.0277778","","Manolis J. Manos; Mercouri G. Kanatzidis","Highly Efficient and Rapid Cs+ Uptake by the Layered Metal Sulfide K2xMnxSn3-xS6 (KMS-1)","Journal of the American Chemical Society","2009","131","","6599","6607","10.1021/ja900977p","","","0.71073","MoKα","","0.0674","0.065","","","0.1699","0.1711","","","","","","1.188","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104346","9.7","0.001","17.298","0.002","21.756","0.003","90","","95.666","0.002","90","","3632.6","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","03086","","","- C26 H58 Mg O2 Si4 -","- C26 H58 Mg O2 Si4 -","- C104 H232 Mg4 O8 Si16 -","4","1","","Stephen C. Chmely; Christin N. Carlson; Timothy P. Hanusa; Arnold L. Rheingold","Classical versus Bridged Allyl Ligands in Magnesium Complexes: The Role of Solvent","Journal of the American Chemical Society","2009","131","","6344","6345","10.1021/ja900998t","","","0.71073","MoKα","","0.0717","0.0475","","","0.1026","0.1117","","","","","","1.014","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104347","10.7597","0.0002","12.9099","0.0002","19.7051","0.0003","90","","100.165","0.001","90","","2694.21","0.08","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H42 Mg Si4 -","- C18 H42 Mg Si4 -","- C72 H168 Mg4 Si16 -","4","2","","Stephen C. Chmely; Christin N. Carlson; Timothy P. Hanusa; Arnold L. Rheingold","Classical versus Bridged Allyl Ligands in Magnesium Complexes: The Role of Solvent","Journal of the American Chemical Society","2009","131","","6344","6345","10.1021/ja900998t","","","1.54178","CuKα","","0.0292","0.0273","","","0.0695","0.0711","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104348","9.0245","0.0012","13.2478","0.0018","14.682","0.0019","94.179","0.007","99.608","0.007","93.006","0.006","1722.4","0.4","100","1","100","1","","","","","","","","6","P -1","-P 1","2","(IPr)Au[eta2-C7H10]+ SbF6-","","","- C34 H46 Au F6 N2 Sb -","- C34 H46 Au F6 N2 Sb -","- C68 H92 Au2 F12 N4 Sb2 -","2","1","","Timothy J. Brown; Marina G. Dickens; Ross A. Widenhoefer","Syntheses, X-ray Crystal Structures, and Solution Behavior of Monomeric, Cationic, Two-Coordinate Gold(I) π-Alkene Complexes","Journal of the American Chemical Society","2009","131","","6350","6351","10.1021/ja9015827","","","0.71073","MoKα","","0.0602","0.0412","","","0.0788","0.0826","","","","","","0.883","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104349","16.9803","0.0005","12.2366","0.0004","21.7326","0.0006","90","","110.479","0.002","90","","4230.2","0.2","110","1","110","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(IPr)Au[eta2-(CH3)2C=C(CH3)2]+ SbF6-","","","- C35 H52 Au Cl4 F6 N2 Sb -","- C35 H52 Au Cl4 F6 N2 Sb -","- C140 H208 Au4 Cl16 F24 N8 Sb4 -","4","1","","Timothy J. Brown; Marina G. Dickens; Ross A. Widenhoefer","Syntheses, X-ray Crystal Structures, and Solution Behavior of Monomeric, Cationic, Two-Coordinate Gold(I) π-Alkene Complexes","Journal of the American Chemical Society","2009","131","","6350","6351","10.1021/ja9015827","","","0.71073","MoKα","","0.0705","0.0391","","","0.0765","0.0838","","","","","","1.073","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104350","16.8505","0.0013","11.6076","0.0009","21.6262","0.0016","90","","106.172","0.004","90","","4062.6","0.5","100","1","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(IPr)Au[eta2-H2C=C(CH3)2]+ SbF6-","","","- C33 H48 Au Cl4 F6 N2 Sb -","- C33 H48 Au Cl4 F6 N2 Sb -","- C132 H192 Au4 Cl16 F24 N8 Sb4 -","4","1","","Timothy J. Brown; Marina G. Dickens; Ross A. Widenhoefer","Syntheses, X-ray Crystal Structures, and Solution Behavior of Monomeric, Cationic, Two-Coordinate Gold(I) π-Alkene Complexes","Journal of the American Chemical Society","2009","131","","6350","6351","10.1021/ja9015827","","","0.71073","MoKα","","0.0462","0.0351","","","0.0893","0.0934","","","","","","1.553","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104351","8.804","0.001","12.052","0.002","12.271","0.002","108.289","0.002","108.256","0.002","105.125","0.002","1076.8","0.3","144.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O4 S2 -","- C24 H26 O4 S2 -","- C48 H52 O8 S4 -","2","1","","Pablo Mauleón; Rachel M. Zeldin; Ana Z. González; F. Dean Toste","Ligand-Controlled Access to [4 + 2] and [4 + 3] Cycloadditions in Gold-Catalyzed Reactions of Allene-Dienes","Journal of the American Chemical Society","2009","131","","6348","6349","10.1021/ja901649s","","","0.7107","MoKα","","0.0545","0.0392","","0.0537","","0.0508","","","","","","1.748","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104352","10.0379","0.0009","15.6091","0.0015","14.2205","0.0014","90","","90.283","0.001","90","","2228.1","0.4","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 Au Cl P -","- C23 H31 Au Cl P -","- C92 H124 Au4 Cl4 P4 -","4","1","","Pablo Mauleón; Rachel M. Zeldin; Ana Z. González; F. Dean Toste","Ligand-Controlled Access to [4 + 2] and [4 + 3] Cycloadditions in Gold-Catalyzed Reactions of Allene-Dienes","Journal of the American Chemical Society","2009","131","","6348","6349","10.1021/ja901649s","","","0.71073","MoKα","","0.0405","0.0302","","","0.0619","0.0659","","","","","","0.967","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104353","9.3733","0.0008","11.97","0.001","13.4864","0.0017","114.492","0.002","91.662","0.002","111.942","0.001","1246.6","0.2","124","2","124","2","","","","","","","","5","P -1","-P 1","2","RMZ2.024","TOSTE01","","- C27 H35 Au Cl P -","- C27 H35 Au Cl P -","- C54 H70 Au2 Cl2 P2 -","2","1","","Pablo Mauleón; Rachel M. Zeldin; Ana Z. González; F. Dean Toste","Ligand-Controlled Access to [4 + 2] and [4 + 3] Cycloadditions in Gold-Catalyzed Reactions of Allene-Dienes","Journal of the American Chemical Society","2009","131","","6348","6349","10.1021/ja901649s","","","0.71073","MoKα","","0.0471","0.0372","","","0.0783","0.0838","","","","","","1.057","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104354","23.2928","0.0017","27.637","0.002","24.0457","0.0016","90","","97.338","0.002","90","","15352.5","1.9","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","","","- C204 H174 Cu12 N18 O60 -","- C204 H174 Cu12 N18 O60 -","- C408 H348 Cu24 N36 O120 -","2","0.5","","Jian-Rong Li; Daren J. Timmons; Hong-Cai Zhou","Interconversion between Molecular Polyhedra and Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","6368","6369","10.1021/ja901731z","","","0.71073","MoKα","","0.0795","0.0602","","","0.1674","0.1795","","","","","","1.003","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104355","24.56","0.003","24.56","0.003","59.19","0.009","90","","90","","120","","30920","7","213","2","213","2","","","","","","","","5","R -3 :H","-R 3","148","none","","","- C198 H162 Cu12 N18 O60 -","- C198 H162 Cu12 N18 O60 -","- C594 H486 Cu36 N54 O180 -","3","0.166667","","Jian-Rong Li; Daren J. Timmons; Hong-Cai Zhou","Interconversion between Molecular Polyhedra and Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","6368","6369","10.1021/ja901731z","","","0.71073","MoKα","","0.1457","0.0828","","","0.2459","0.2627","","","","","","1.11","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104356","25.293","0.008","25.293","0.008","54.096","0.017","90","","90","","120","","29971","16","213","2","213","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C198 H126 Cu12 N18 O54 -","- C198 H126 Cu12 N18 O54 -","- C594 H378 Cu36 N54 O162 -","3","0.166667","","Jian-Rong Li; Daren J. Timmons; Hong-Cai Zhou","Interconversion between Molecular Polyhedra and Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","6368","6369","10.1021/ja901731z","","","0.71073","MoKα","","0.1416","0.0656","","","0.166","0.1874","","","","","","0.752","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104357","30.5521","0.0015","30.5521","0.0015","30.5521","0.0015","90","","90","","90","","28518","2","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","none","","","- C33 H20 Cu2 N3 O9 -","- C33 H20 Cu2 N3 O9 -","- C396 H240 Cu24 N36 O108 -","12","0.125","","Jian-Rong Li; Daren J. Timmons; Hong-Cai Zhou","Interconversion between Molecular Polyhedra and Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","6368","6369","10.1021/ja901731z","","","0.71073","MoKα","","0.2597","0.0796","","","0.211","0.2851","","","","","","0.953","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104358","8.6896","0.001","18.229","0.002","24.344","0.003","90","","90","","90","","3856.2","0.8","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","none","","","- C44 H37 Cu N7 O4 -","- C44 H37 Cu N7 O4 -","- C176 H148 Cu4 N28 O16 -","4","1","","Jian-Rong Li; Daren J. Timmons; Hong-Cai Zhou","Interconversion between Molecular Polyhedra and Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","6368","6369","10.1021/ja901731z","","","0.71073","MoKα","","0.0893","0.0597","","","0.1541","0.17","","","","","","1.047","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104359","17.575","0.0004","11.552","0.0003","26.296","0.0005","90","","94.809","0.001","90","","5320","0.2","120","0.1","120","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3-trisilacyclopenta-2,4-diene","","- C43 H96 Si7 -","- C43 H96 Si7 -","- C172 H384 Si28 -","4","1","","Hiroyuki Yasuda; Vladimir Ya. Lee; Akira Sekiguchi","Si3C2-Rings: From a Nonconjugated Trisilacyclopentadiene to an Aromatic Trisilacyclopentadienide and Cyclic Disilenide","Journal of the American Chemical Society","2009","131","","6352","6353","10.1021/ja901881z","","","0.7107","MoKα","","0.052","0.0406","","","0.1193","0.1297","","","","","","0.967","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104360","16.095","0.0006","16.796","0.0007","19.281","0.0004","90","","94.288","0.002","90","","5197.7","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","C42 H91 O Li Si6","","- C42 H91 Li O Si6 -","- C42 H91 Li O Si6 -","- C168 H364 Li4 O4 Si24 -","4","1","","Hiroyuki Yasuda; Vladimir Ya. Lee; Akira Sekiguchi","Si3C2-Rings: From a Nonconjugated Trisilacyclopentadiene to an Aromatic Trisilacyclopentadienide and Cyclic Disilenide","Journal of the American Chemical Society","2009","131","","6352","6353","10.1021/ja901881z","","","0.7107","MoKα","","0.0839","0.0591","","","0.1733","0.1837","","","","","","1.055","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104361","9.7044","0.0002","9.7044","0.0002","6.8538","0.0003","90","","90","","90","","645.46","0.03","90","2","90","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","Copper(II) bifluoride pyrazine hexafluoroantimonate","","","- C8 H9 Cu F8 N4 Sb -","- C8 H9 Cu F8 N4 Sb -","- C16 H18 Cu2 F16 N8 Sb2 -","2","0.125","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0152","0.0144","","","0.0359","0.0364","","","","","","1.09","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104362","9.719","0.002","9.719","0.002","6.865","0.003","90","","90","","90","","648.5","0.3","150","2","150","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","Copper(II) bifluoride pyrazine hexafluoroantimonate","","","- C8 H9 Cu F8 N4 Sb -","- C8 H9 Cu F8 N4 Sb -","- C16 H18 Cu2 F16 N8 Sb2 -","2","0.125","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0189","0.0175","","","0.0452","0.0458","","","","","","1.103","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104363","9.72","0.0006","9.72","0.0006","6.9414","0.0009","90","","90","","90","","655.81","0.1","298","2","298","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","Copper(II) bifluoride pyrazine hexafluoroantimonate","","","- C8 H9 Cu F8 N4 Sb -","- C8 H9 Cu F8 N4 Sb -","- C16 H18 Cu2 F16 N8 Sb2 -","2","0.125","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0185","0.0182","","","0.0489","0.0491","","","","","","1.083","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104364","13.5926","0.0005","19.9573","0.0007","19.8663","0.0007","90","","90","","90","","5389.2","0.3","90","2","90","2","","","","","","","","6","C m c a","-C 2ac 2","64","[(pyz)4Cu2(HF)F(F2H)][SbF6]2","","","- C16 H18 Cu2 F16 N8 Sb2 -","- C16 H18 Cu2 F16 N8 Sb2 -","- C128 H144 Cu16 F128 N64 Sb16 -","8","","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0275","0.0218","","","0.0537","0.0582","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104365","13.5893","0.0015","19.974","0.003","19.893","0.003","90","","90","","90","","5399.6","1.3","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","[(pyz)4Cu2(HF)F(F2H)][SbF6]2","","","- C16 H18 Cu2 F16 N8 Sb2 -","- C16 H18 Cu2 F16 N8 Sb2 -","- C128 H144 Cu16 F128 N64 Sb16 -","8","","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0244","0.0233","","","0.071","0.0719","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104366","13.688","0.002","20.055","0.003","19.976","0.003","90","","90","","90","","5483.7","1.4","298","2","298","2","","","","","","","","6","C m c a","-C 2ac 2","64","[(pyz)4Cu2(HF)F(F2H)][SbF6]2","","","- C16 H18 Cu2 F16 N8 Sb2 -","- C16 H18 Cu2 F16 N8 Sb2 -","- C128 H144 Cu16 F128 N64 Sb16 -","8","","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0325","0.0283","","","0.0636","0.0665","","","","","","1.148","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104367","15.0944","0.0006","15.5893","0.0007","14.7562","0.0006","90","","90","","90","","3472.3","0.3","150","2","150","2","","","","","","","","7","C m m a","-C 2a 2","67","","","","- C20 H23 Ag Cu F16 N10 Sb2 -","- C20 H23 Ag Cu F16 N10 Sb2 -","- C80 H92 Ag4 Cu4 F64 N40 Sb8 -","4","0.25","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0682","0.039","","","0.0994","0.1083","","","","","","1.304","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104368","7.9725","0.0008","8.4866","0.0009","10.8938","0.0011","89.841","0.003","84.921","0.002","63.859","0.002","658.54","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","[(pyz)2Cu][SbF6]","","","- C8 H8 Cu F6 N4 Sb -","- C8 H8 Cu F6 N4 Sb -","- C16 H16 Cu2 F12 N8 Sb2 -","2","1","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0266","0.0245","","","0.058","0.0588","","","","","","1.096","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104369","11.68","0.0002","17.471","0.0004","19.385","0.0005","69.482","0.001","74.174","0.001","89.58","0.001","3547.21","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H28 Cl0 N2 O0 -","- C45 H28 N2 -","- C180 H112 N8 -","4","2","","Yi Wei; Shingo Samori; Sachiko Tojo; Mamoru Fujitsuka; Jin-Sheng Lin; Chien-Tien Chen; Tetsuro Majima","Emission Mechanism of Doublyortho-Linked Quinoxaline/Diphenylfluorene or cis-Stilbene/Fluorene Hybrid Compounds Based on the Transient Absorption and Emission Measurements during Pulse Radiolysis","Journal of the American Chemical Society","2009","131","","6698","6707","10.1021/ja8090005","","","0.71073","MoKα","","0.1724","0.0876","","","0.2038","0.2567","","","","","","1.103","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104370","16.8902","0.0006","9.8465","0.0003","17.6024","0.0008","90","","107.789","0.001","90","","2787.48","0.18","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C41 H30 O2 -","- C41 H30 O2 -","- C164 H120 O8 -","4","1","","Yi Wei; Shingo Samori; Sachiko Tojo; Mamoru Fujitsuka; Jin-Sheng Lin; Chien-Tien Chen; Tetsuro Majima","Emission Mechanism of Doublyortho-Linked Quinoxaline/Diphenylfluorene or cis-Stilbene/Fluorene Hybrid Compounds Based on the Transient Absorption and Emission Measurements during Pulse Radiolysis","Journal of the American Chemical Society","2009","131","","6698","6707","10.1021/ja8090005","","","0.71073","MoKα","","0.1453","0.0579","","","0.1317","0.1873","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104371","13.5203","0.0002","30.6169","0.0006","17.9603","0.0003","90","","99.356","0.001","90","","7335.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H76 F12 Fe N6 O6 P2 -","- C79 H76 F12 Fe N6 O6 P2 -","- C316 H304 F48 Fe4 N24 O24 P8 -","4","1","","Alexander I. Prikhod'ko; Jean-Pierre Sauvage","Passing Two Strings through the Same Ring Using an Octahedral Metal Center as Template: A New Synthesis of [3]Rotaxanes","Journal of the American Chemical Society","2009","131","","6794","6807","10.1021/ja809267z","","","0.71073","MoKα","","0.1204","0.0676","","","0.1788","0.2056","","","","","","1.06","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104372","13.4954","0.0003","19.0943","0.0006","25.8961","0.0008","89.234","0.001","78.448","0.002","84.786","0.002","6510.7","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H108 Co F18 N6 O12 P3 -","- C123 H108 Co F18 N6 O12 P3 -","- C246 H216 Co2 F36 N12 O24 P6 -","2","1","","Alexander I. Prikhod'ko; Jean-Pierre Sauvage","Passing Two Strings through the Same Ring Using an Octahedral Metal Center as Template: A New Synthesis of [3]Rotaxanes","Journal of the American Chemical Society","2009","131","","6794","6807","10.1021/ja809267z","","","0.71073","MoKα","","0.329","0.1465","","","0.3587","0.4388","","","","","","1.117","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104373","31.0363","0.0005","13.1163","0.0002","27.6377","0.0006","90","","117.889","0.001","90","","9944.1","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H96 Co F18 N6 O10 P3 -","- C108 H96 Co F18 N6 O10 P3 -","- C432 H384 Co4 F72 N24 O40 P12 -","4","0.5","","Alexander I. Prikhod'ko; Jean-Pierre Sauvage","Passing Two Strings through the Same Ring Using an Octahedral Metal Center as Template: A New Synthesis of [3]Rotaxanes","Journal of the American Chemical Society","2009","131","","6794","6807","10.1021/ja809267z","","","0.71073","MoKα","","0.1591","0.088","","","0.2527","0.2969","","","","","","1.073","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104374","13.968","0.0004","16.041","0.0003","20.735","0.0006","103.808","0.002","98.228","0.001","101.688","0.002","4327.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H78 Cl2 Co N6 O15 -","- C99 H78 Cl2 Co N6 O15 -","- C198 H156 Cl4 Co2 N12 O30 -","2","1","","Alexander I. Prikhod'ko; Jean-Pierre Sauvage","Passing Two Strings through the Same Ring Using an Octahedral Metal Center as Template: A New Synthesis of [3]Rotaxanes","Journal of the American Chemical Society","2009","131","","6794","6807","10.1021/ja809267z","","","0.71073","MoKα","","0.0918","0.0642","","","0.176","0.1918","","","","","","1.102","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104375","12.675","0.0003","14.9214","0.0004","19.4499","0.0005","79.543","0.001","75.832","0.001","89.533","0.001","3504.87","0.16","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H75 Cl12 N4 P Ru -","- C64 H75 Cl12.003 N4 P Ru -","- C128 H150 Cl24.006 N8 P2 Ru2 -","2","1","","Brandon R. Galan; Mateusz Pitak; Milan Gembicky; Jerome B. Keister; Steven T. Diver","Ligand-Promoted Carbene Insertion into the Aryl Substituent of an N-Heterocyclic Carbene Ligand in Ruthenium-Based Metathesis Catalysts","Journal of the American Chemical Society","2009","131","","6822","6832","10.1021/ja809984k","","","0.71073","MoKα","","0.1233","0.098","","","0.2626","0.2888","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104376","15.388","0.002","15.585","0.002","16.341","0.003","92.463","0.004","114.839","0.004","114.18","0.004","3133","0.8","90","1","90","1","","","","","","","","7","P -1","-P 1","2","","","","- C63 H61 Cl4 N4 O P Ru -","- C63 H61 Cl4 N4 O P Ru -","- C126 H122 Cl8 N8 O2 P2 Ru2 -","2","1","","Brandon R. Galan; Mateusz Pitak; Milan Gembicky; Jerome B. Keister; Steven T. Diver","Ligand-Promoted Carbene Insertion into the Aryl Substituent of an N-Heterocyclic Carbene Ligand in Ruthenium-Based Metathesis Catalysts","Journal of the American Chemical Society","2009","131","","6822","6832","10.1021/ja809984k","","","0.71073","MoKα","","0.0555","0.0492","","","0.1428","0.1473","","","","","","1.084","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104377","13.4404","0.0007","15.3105","0.0008","16.4038","0.0009","117.398","0.001","112.842","0.001","90.063","0.002","2694.4","0.3","90","1","90","1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H56 Cl5 N5 O Ru -","- C58 H56 Cl5 N5 O Ru -","- C116 H112 Cl10 N10 O2 Ru2 -","2","1","","Brandon R. Galan; Mateusz Pitak; Milan Gembicky; Jerome B. Keister; Steven T. Diver","Ligand-Promoted Carbene Insertion into the Aryl Substituent of an N-Heterocyclic Carbene Ligand in Ruthenium-Based Metathesis Catalysts","Journal of the American Chemical Society","2009","131","","6822","6832","10.1021/ja809984k","","","0.71073","MoKα","","0.0862","0.0544","","","0.1426","0.1677","","","","","","1.043","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104378","8.5932","0.0003","13.5318","0.0004","17.3502","0.0006","90","","90","","90","","2017.51","0.12","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Trichlorosilane-bis(p-tert-butylpyridine)","","- C18 H27 Cl3 N2 Si -","- C18 H27 Cl3 N2 Si -","- C72 H108 Cl12 N8 Si4 -","4","1","","Gerrit W. Fester; Jörg Wagler; Erica Brendler; Uwe Böhme; Daniela Gerlach; Edwin Kroke","Octahedral HSiCl3 and HSiCl2Me Adducts with Pyridines","Journal of the American Chemical Society","2009","131","","6855","6864","10.1021/ja901053w","","","0.71073","MoKα","","0.0585","0.0423","","","0.1083","0.1204","","","","","","1.105","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104379","8.4028","0.001","7.2048","0.0008","16.494","0.002","90","","91.419","0.004","90","","998.2","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis-(4-phenylpyridine)hydridotrichlorosilane","","- C22 H19 Cl3 N2 Si -","- C22 H19 Cl3 N2 Si -","- C44 H38 Cl6 N4 Si2 -","2","0.5","","Gerrit W. Fester; Jörg Wagler; Erica Brendler; Uwe Böhme; Daniela Gerlach; Edwin Kroke","Octahedral HSiCl3 and HSiCl2Me Adducts with Pyridines","Journal of the American Chemical Society","2009","131","","6855","6864","10.1021/ja901053w","","","0.71073","MoKα","","0.0893","0.0484","","","0.1108","0.12","","","","","","0.906","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104380","15.5719","0.0013","13.3478","0.0011","7.1495","0.0006","90","","92.911","0.003","90","","1484.1","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis-(4-methylpyridine)methylhydridodichlorosilane","","- C13 H18 Cl2 N2 Si -","- C13 H18 Cl2 N2 Si -","- C52 H72 Cl8 N8 Si4 -","4","1","","Gerrit W. Fester; Jörg Wagler; Erica Brendler; Uwe Böhme; Daniela Gerlach; Edwin Kroke","Octahedral HSiCl3 and HSiCl2Me Adducts with Pyridines","Journal of the American Chemical Society","2009","131","","6855","6864","10.1021/ja901053w","","","0.71073","MoKα","","0.0668","0.0414","","","0.1108","0.1228","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104381","9.1395","0.0003","9.9123","0.0004","10.7813","0.0004","80.006","0.002","65.544","0.002","79.592","0.002","869.12","0.06","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","Bis-(4-dimethylaminopyridine)methylhydridodichlorosilane","","- C15 H24 Cl2 N4 Si -","- C15 H24 Cl2 N4 Si -","- C30 H48 Cl4 N8 Si2 -","2","1","","Gerrit W. Fester; Jörg Wagler; Erica Brendler; Uwe Böhme; Daniela Gerlach; Edwin Kroke","Octahedral HSiCl3 and HSiCl2Me Adducts with Pyridines","Journal of the American Chemical Society","2009","131","","6855","6864","10.1021/ja901053w","","","0.71073","MoKα","","0.0533","0.0361","","","0.0986","0.1049","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104382","16.463","0.0006","15.455","0.0005","10.138","0.0003","90","","123.341","0.002","90","","2154.93","0.13","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 B2 N2 Zr2 -","- C20 H32 B2 N2 Zr2 -","- C80 H128 B8 N8 Zr8 -","4","0.5","","Taryn D. Forster; Heikki M. Tuononen; Masood Parvez; Roland Roesler","Characterization of β-B-Agostic Isomers in Zirconocene Amidoborane Complexes","Journal of the American Chemical Society","2009","131","","6689","6691","10.1021/ja901460y","","","0.71073","MoKα","","0.0323","0.0268","","","0.064","0.0665","","","","","","1.048","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104383","7.984","0.0005","14.837","0.0005","10.305","0.0005","90","0.003","117.83","0.003","90","0.002","1079.52","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 B N Zr -","- C10 H16 B N Zr -","- C40 H64 B4 N4 Zr4 -","4","1","","Taryn D. Forster; Heikki M. Tuononen; Masood Parvez; Roland Roesler","Characterization of β-B-Agostic Isomers in Zirconocene Amidoborane Complexes","Journal of the American Chemical Society","2009","131","","6689","6691","10.1021/ja901460y","","","0.71073","MoKα","","0.0819","0.0536","","","0.0763","0.0843","","","","","","1.141","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104384","8.1","0.0004","10.792","0.0006","15.087","0.0006","90","","119.12","0.003","90","","1152.14","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 B Cl N Zr -","- C10 H15 B Cl N Zr -","- C40 H60 B4 Cl4 N4 Zr4 -","4","1","","Taryn D. Forster; Heikki M. Tuononen; Masood Parvez; Roland Roesler","Characterization of β-B-Agostic Isomers in Zirconocene Amidoborane Complexes","Journal of the American Chemical Society","2009","131","","6689","6691","10.1021/ja901460y","","","0.71073","MoKα","","0.0624","0.0354","","","0.0691","0.0781","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104385","9.649","0.003","9.649","0.003","5.198","0.003","90","","90","","120","","419.1","0.3","296","2","296","2","","","","","","","","4","P 63","P 6c","173","","","","- I6 Na2 O18 Ti -","- I6 Na2 O18 Ti -","- I6 Na2 O18 Ti -","1","0.166667","","Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani","Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)","Journal of the American Chemical Society","2009","131","","6865","6873","10.1021/ja9015099","","","0.71073","MoKα","","0.0505","0.0354","","","0.0553","0.0581","","","","","","1.099","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104386","11.2703","0.0006","11.2703","0.0006","11.3514","0.0011","90","","90","","120","","1248.68","0.15","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- I6 K2 O18 Ti -","- I6 K2 O18 Ti -","- I18 K6 O54 Ti3 -","3","0.166667","","Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani","Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)","Journal of the American Chemical Society","2009","131","","6865","6873","10.1021/ja9015099","","","0.71073","MoKα","","0.0281","0.0223","","","0.0517","0.0529","","","","","","1.152","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104387","11.3757","0.0016","11.3757","0.0016","11.426","0.003","90","","90","","120","","1280.5","0.4","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- I6 O18 Rb2 Ti -","- I6 O18 Rb2 Ti -","- I18 O54 Rb6 Ti3 -","3","0.166667","","Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani","Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)","Journal of the American Chemical Society","2009","131","","6865","6873","10.1021/ja9015099","","","0.71073","MoKα","","0.0596","0.0456","","","0.1198","0.1259","","","","","","1.137","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104388","11.6726","0.0005","11.6726","0.0005","11.6399","0.001","90","","90","","120","","1373.46","0.14","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cs2 I6 O18 Ti -","- Cs2 I6 O18 Ti -","- Cs6 I18 O54 Ti3 -","3","0.166667","","Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani","Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)","Journal of the American Chemical Society","2009","131","","6865","6873","10.1021/ja9015099","","","0.71073","MoKα","","0.0248","0.0164","","","0.0274","0.0286","","","","","","0.907","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104389","11.4167","0.0006","11.4167","0.0006","11.3953","0.0011","90","","90","","120","","1286.29","0.16","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- I6 O18 Ti Tl2 -","- I6 O18 Ti Tl2 -","- I18 O54 Ti3 Tl6 -","3","0.166667","","Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani","Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)","Journal of the American Chemical Society","2009","131","","6865","6873","10.1021/ja9015099","","","0.71073","MoKα","","0.0504","0.0421","","","0.1133","0.1157","","","","","","1.162","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104390","18.9145","0.0007","17.2265","0.0005","10.4262","0.0004","90","","90","","90","","3397.2","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H55 N2 P Ru -","- C35 H56 N2 P Ru -","- C140 H224 N8 P4 Ru4 -","4","0.5","","Halil Aktas; J. Chris Slootweg; Marius Schakel; Andreas W. Ehlers; Martin Lutz; Anthony L. Spek; Koop Lammertsma","N-Heterocyclic Carbene-Functionalized Ruthenium Phosphinidenes: What a Difference a Twist Makes","Journal of the American Chemical Society","2009","131","","6666","6667","10.1021/ja901540h","","","0.71073","MoKα","","0.0408","0.0335","","","0.0817","0.0848","","","","","","1.172","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104391","19.5083","0.001","18.2986","0.0005","22.217","0.001","90","","113.4","0.0019","90","","7278.6","0.5","153.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C75 H98 Cl6 Ir2 O6 P2 -","- C75 H98 Cl6 Ir2 O6 P2 -","- C300 H392 Cl24 Ir8 O24 P8 -","4","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Addition of Acid Chlorides to Terminal Alkynes","Journal of the American Chemical Society","2009","131","","6668","6669","10.1021/ja901778y","","","0.7107","MoKα","","","0.0373","","","","0.0907","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104392","13.077","0.011","7.098","0.006","14.856","0.012","90","","101.902","0.014","90","","1349.3","1.9","153.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cl F3 O -","- C16 H10 Cl F3 O -","- C64 H40 Cl4 F12 O4 -","4","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Addition of Acid Chlorides to Terminal Alkynes","Journal of the American Chemical Society","2009","131","","6668","6669","10.1021/ja901778y","","","0.7107","MoKα","","","0.0597","","","","0.0748","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104393","14.7624","0.0015","5.7017","0.0006","16.5862","0.0015","90","","94.381","0.006","90","","1392","0.2","153.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H13 Cl O3 -","- C17 H13 Cl O3 -","- C68 H52 Cl4 O12 -","4","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Addition of Acid Chlorides to Terminal Alkynes","Journal of the American Chemical Society","2009","131","","6668","6669","10.1021/ja901778y","","","0.7107","MoKα","","","0.0437","","","","0.0584","","","","","","0.962","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104394","7.1332","0.0002","9.229","0.0003","13.0111","0.0004","90","","103.216","0.001","90","","833.87","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H14 Cl N -","- C22 H14 Cl N -","- C44 H28 Cl2 N2 -","2","1","","Jorge García-Fortanet; Florian Kessler; Stephen L. Buchwald","Palladium-Catalyzed Asymmetric Dearomatization of Naphthalene Derivatives","Journal of the American Chemical Society","2009","131","","6676","6677","10.1021/ja9025193","","","1.54178","CuKα","","0.0226","0.0224","","","0.0594","0.0595","","","","","","1.038","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104395","9.6774","0.0007","11.5225","0.0008","17.5094","0.0013","90","","90","","90","","1952.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Br N -","- C25 H22 Br N -","- C100 H88 Br4 N4 -","4","1","","Jorge García-Fortanet; Florian Kessler; Stephen L. Buchwald","Palladium-Catalyzed Asymmetric Dearomatization of Naphthalene Derivatives","Journal of the American Chemical Society","2009","131","","6676","6677","10.1021/ja9025193","","","0.71073","MoKα","","0.0264","0.0237","","","0.0608","0.062","","","","","","1.037","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104396","10.4928","0.0003","5.1755","0.0001","11.2885","0.0003","90","","112.412","0.001","90","","566.72","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C24 H40 O8 -","2","1","","Christopher J. Morten; Timothy F. Jamison","Water Overcomes Methyl Group Directing Effects in Epoxide-Opening Cascades","Journal of the American Chemical Society","2009","131","","6678","6679","10.1021/ja9025243","","","1.54178","CuKα","","0.0283","0.0281","","","0.0839","0.0842","","","","","","1.102","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104397","18.9594","0.0015","18.4485","0.0015","13.177","0.004","90","","104.204","0.003","90","","4468","1.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C35 H36 O16 Zn2 -","- C35 H30 O16 Zn2 -","- C140 H120 O64 Zn8 -","4","1","","Zhengang Guo; Rong Cao; Xin Wang; Hongfang Li; Wenbing Yuan; Guojian Wang; Haohan Wu; Jing Li","A Multifunctional 3D Ferroelectric and NLO-Active Porous Metal-Organic Framework","Journal of the American Chemical Society","2009","131","","6894","6895","10.1021/ja9000129","","","0.71073","MoKα","","0.0548","0.0481","","","0.1361","0.1428","","","","","","0.905","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104398","8.6537","0.0006","9.4166","0.0006","13.4394","0.0009","90","","90","","90","","1095.16","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Bassam K. Alnasleh; William M. Sherrill; Marina Rubina; Joseph Banning; Michael Rubin","Highly Diastereoselective Formal Nucleophilic Substitution of Bromocyclopropanes","Journal of the American Chemical Society","2009","131","","6906","6907","10.1021/ja900634m","","","0.71073","MoKα","","0.0561","0.05","","","0.0978","0.1004","","","","","","1.057","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104399","4.1566","0.0004","14.0039","0.0012","16.4888","0.0015","90","","94.338","0.006","90","","957.04","0.15","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ClBPTSMe","","","- C6 H3 Cl N3 S2 Se2 -","- C6 H3 Cl N3 S2 Se2 -","- C24 H12 Cl4 N12 S8 Se8 -","4","1","","Alicea A. Leitch; Xueyang Yu; Stephen M. Winter; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Structure and Property Correlations in Heavy Atom Radical Conductors","Journal of the American Chemical Society","2009","131","","7112","7125","10.1021/ja900853t","","","1.54178","CuKα","","0.0656","0.0442","","","0.1035","0.1115","","","","","","1.065","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104400","4.1932","0.0002","15.1413","0.0008","16.1531","0.0008","90","","90","","90","","1025.57","0.09","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","ClBPSTMe","","","- C6 H3 Cl N3 S2 Se2 -","- C6 H3 Cl N3 S2 Se2 -","- C24 H12 Cl4 N12 S8 Se8 -","4","1","","Alicea A. Leitch; Xueyang Yu; Stephen M. Winter; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Structure and Property Correlations in Heavy Atom Radical Conductors","Journal of the American Chemical Society","2009","131","","7112","7125","10.1021/ja900853t","","","0.71073","MoKα","","0.0389","0.0268","","","0.0499","0.0527","","","","","","1.024","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104401","4.1978","0.0002","14.318","0.0008","16.7655","0.0009","90","","96.22","0.001","90","","1001.74","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ClBPSSMe","","","- C6 H3 Cl N3 Se4 -","- C6 H3 Cl N3 Se4 -","- C24 H12 Cl4 N12 Se16 -","4","1","","Alicea A. Leitch; Xueyang Yu; Stephen M. Winter; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Structure and Property Correlations in Heavy Atom Radical Conductors","Journal of the American Chemical Society","2009","131","","7112","7125","10.1021/ja900853t","","","0.71073","MoKα","","0.0296","0.0235","","","0.0521","0.0537","","","","","","0.969","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104402","13.023","0.003","13.385","0.004","14.076","0.004","80.98","0.004","86.683","0.004","61.886","0.003","2137","1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","ZP1_2,2-DPA-DCF","","","- C48 H41 Cl2 N7 O6 -","- C48 H41 Cl2 N7 O6 -","- C96 H82 Cl4 N14 O12 -","2","1","","Brian A. Wong; Simone Friedle; Stephen J. Lippard","Solution and Fluorescence Properties of Symmetric Dipicolylamine-Containing Dichlorofluorescein-Based Zn2+ Sensors","Journal of the American Chemical Society","2009","131","","7142","7152","10.1021/ja900980u","","","0.71073","MoKα","","0.061","0.0487","","","0.1192","0.1267","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104403","14.766","0.003","14.851","0.003","22.573","0.004","92.659","0.003","105.087","0.002","117.641","0.003","4152.3","1.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","2,4-DPA-DCF","","","- C48 H39 Cl2 N7 O5.25 -","- C48 H39 Cl2 N7 O5.25 -","- C192 H156 Cl8 N28 O21 -","4","2","","Brian A. Wong; Simone Friedle; Stephen J. Lippard","Solution and Fluorescence Properties of Symmetric Dipicolylamine-Containing Dichlorofluorescein-Based Zn2+ Sensors","Journal of the American Chemical Society","2009","131","","7142","7152","10.1021/ja900980u","","","0.71073","MoKα","","0.0734","0.0511","","","0.1261","0.1384","","","","","","1.039","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104404","10.521","0.002","11.825","0.003","12.749","0.003","90.43","0.003","111.283","0.003","111.419","0.003","1357.8","0.5","476","2","476","2","","","","","","","","5","P -1","-P 1","2","DEA-DCF","","","- C30 H31 Cl2 N2 O5 -","- C30 H31 Cl2 N2 O5 -","- C60 H62 Cl4 N4 O10 -","2","1","","Brian A. Wong; Simone Friedle; Stephen J. Lippard","Solution and Fluorescence Properties of Symmetric Dipicolylamine-Containing Dichlorofluorescein-Based Zn2+ Sensors","Journal of the American Chemical Society","2009","131","","7142","7152","10.1021/ja900980u","","","0.71073","MoKα","","0.0581","0.0477","","","0.1167","0.1234","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104405","6.3985","0.0005","7.5006","0.0005","12.1391","0.0009","90.32","0.007","96.714","0.006","103.08","0.009","563.27","0.07","300","","300","","","","170000","","","","","4","P -1","-P 1","2","","Au(tmdt)2","","- C18 H12 Au S12 -","- C18 H12 Au S12 -","- C18 H12 Au S12 -","1","0.5","","Yoshinori Okano; Biao Zhou; Hishashi Tanaka; Takafumi Adachi; Yasuo Ohishi; Masaki Takata; Shinobu Aoyagi; Eiji Nishibori; Makoto Sakata; Akiko Kobayashi; Hayao Kobayashi","High-Pressure (up to 10.7 GPa) Crystal Structure of Single-Component Molecular Metal [Au(tmdt)2]","Journal of the American Chemical Society","2009","131","","7169","7174","10.1021/ja9010018","powder diffraction","","0.49559","synchrotron","","","","","","","","","0.039","","","","","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104406","6.2925","0.0007","7.3513","0.0006","12.0494","0.0011","89.596","0.008","96.355","0.009","102.898","0.014","539.89","0.09","300","","300","","","","780000","","","","","4","P -1","-P 1","2","","Au(tmdt)2","","- C18 H12 Au S12 -","- C18 H12 Au S12 -","- C18 H12 Au S12 -","1","0.5","","Yoshinori Okano; Biao Zhou; Hishashi Tanaka; Takafumi Adachi; Yasuo Ohishi; Masaki Takata; Shinobu Aoyagi; Eiji Nishibori; Makoto Sakata; Akiko Kobayashi; Hayao Kobayashi","High-Pressure (up to 10.7 GPa) Crystal Structure of Single-Component Molecular Metal [Au(tmdt)2]","Journal of the American Chemical Society","2009","131","","7169","7174","10.1021/ja9010018","powder diffraction","","0.49559","synchrotron","","","","","","","","","0.042","","","","","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104407","6.2129","0.0006","7.2359","0.0006","11.9817","0.0012","89.145","0.009","96.038","0.01","102.756","0.014","522.42","0.09","300","","300","","","","1300000","","","","","4","P -1","-P 1","2","","Au(tmdt)2","","- C18 H12 Au S12 -","- C18 H12 Au S12 -","- C18 H12 Au S12 -","1","0.5","","Yoshinori Okano; Biao Zhou; Hishashi Tanaka; Takafumi Adachi; Yasuo Ohishi; Masaki Takata; Shinobu Aoyagi; Eiji Nishibori; Makoto Sakata; Akiko Kobayashi; Hayao Kobayashi","High-Pressure (up to 10.7 GPa) Crystal Structure of Single-Component Molecular Metal [Au(tmdt)2]","Journal of the American Chemical Society","2009","131","","7169","7174","10.1021/ja9010018","powder diffraction","","0.49559","synchrotron","","","","","","","","","0.04","","","","","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104408","6.0539","0.0005","7.009","0.0005","11.8438","0.001","88.216","0.01","95.438","0.008","102.638","0.014","488.14","0.07","300","","300","","","","2960000","","","","","4","P -1","-P 1","2","","Au(tmdt)2","","- C18 H12 Au S12 -","- C18 H12 Au S12 -","- C18 H12 Au S12 -","1","0.5","","Yoshinori Okano; Biao Zhou; Hishashi Tanaka; Takafumi Adachi; Yasuo Ohishi; Masaki Takata; Shinobu Aoyagi; Eiji Nishibori; Makoto Sakata; Akiko Kobayashi; Hayao Kobayashi","High-Pressure (up to 10.7 GPa) Crystal Structure of Single-Component Molecular Metal [Au(tmdt)2]","Journal of the American Chemical Society","2009","131","","7169","7174","10.1021/ja9010018","powder diffraction","","0.49559","synchrotron","","","","","","","","","0.027","","","","","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104409","5.9126","0.0006","6.8074","0.0006","11.7174","0.0008","87.4","0.01","94.883","0.009","102.49","0.02","458.61","0.08","300","","300","","","","5500000","","","","","4","P -1","-P 1","2","","Au(tmdt)2","","- C18 H12 Au S12 -","- C18 H12 Au S12 -","- C18 H12 Au S12 -","1","0.5","","Yoshinori Okano; Biao Zhou; Hishashi Tanaka; Takafumi Adachi; Yasuo Ohishi; Masaki Takata; Shinobu Aoyagi; Eiji Nishibori; Makoto Sakata; Akiko Kobayashi; Hayao Kobayashi","High-Pressure (up to 10.7 GPa) Crystal Structure of Single-Component Molecular Metal [Au(tmdt)2]","Journal of the American Chemical Society","2009","131","","7169","7174","10.1021/ja9010018","powder diffraction","","0.49559","synchrotron","","","","","","","","","0.03","","","","","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104410","5.7645","0.001","6.5657","0.0009","11.591","0.002","86.318","0.014","94.352","0.015","102.41","0.03","426.69","0.13","300","","300","","","","10660000","","","","","4","P -1","-P 1","2","","Au(tmdt)2","","- C18 H12 Au S12 -","- C18 H12 Au S12 -","- C18 H12 Au S12 -","1","0.5","","Yoshinori Okano; Biao Zhou; Hishashi Tanaka; Takafumi Adachi; Yasuo Ohishi; Masaki Takata; Shinobu Aoyagi; Eiji Nishibori; Makoto Sakata; Akiko Kobayashi; Hayao Kobayashi","High-Pressure (up to 10.7 GPa) Crystal Structure of Single-Component Molecular Metal [Au(tmdt)2]","Journal of the American Chemical Society","2009","131","","7169","7174","10.1021/ja9010018","powder diffraction","","0.49559","synchrotron","","","","","","","","","0.035","","","","","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104411","29.389","0.003","43.595","0.005","45.965","0.005","90","","90","","90","","58891","11","113","2","113","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C144 H484 Br12 Cl18 Er60 N34 O354 -","- C140 H340 Er60 N34 O232 -","- C560 H1360 Er240 N136 O928 -","4","0.5","","Xiang-Jian Kong; Yinglan Wu; La-Sheng Long; Lan-Sun Zheng; Zhiping Zheng","A Chiral 60-Metal Sodalite Cage Featuring 24 Vertex-Sharing [Er4(μ3-OH)4] Cubanes","Journal of the American Chemical Society","2009","131","","6918","6919","10.1021/ja901214d","","","0.71073","MoKα","","0.114","0.0633","","","0.1271","0.141","","","","","","1.036","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104412","29.2379","0.0003","43.3554","0.0006","46.0899","0.0005","90","","90","","90","","58424.5","1.2","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C144 H484 Br12 Cl18 Er60 N34 O354 -","- C140 H340 Er60 N34 O238 -","- C560 H1360 Er240 N136 O952 -","4","0.5","","Xiang-Jian Kong; Yinglan Wu; La-Sheng Long; Lan-Sun Zheng; Zhiping Zheng","A Chiral 60-Metal Sodalite Cage Featuring 24 Vertex-Sharing [Er4(μ3-OH)4] Cubanes","Journal of the American Chemical Society","2009","131","","6918","6919","10.1021/ja901214d","","","1.54178","CuKα","","0.1164","0.1042","","","0.2441","0.2529","","","","","","1.058","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104413","11.5735","0.0002","11.5735","0.0002","6.9885","0.0003","90","","90","","120","","810.67","0.04","193","2","193","2","","","","","","","","5","P 32","P 32","145","","","","- C10 H11 B N2 O4 -","- C10 H11 B N2 O4 -","- C30 H33 B3 N6 O12 -","3","1","","David M. Knapp; Eric P. Gillis; Martin D. Burke","A General Solution for Unstable Boronic Acids: Slow-Release Cross-Coupling from Air-Stable MIDA Boronates","Journal of the American Chemical Society","2009","131","","6961","6963","10.1021/ja901416p","","","0.71073","MoKα","","0.0285","0.0264","","","0.0693","0.0721","","","","","","1.079","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104414","12.9806","0.0011","13.0795","0.0012","17.3387","0.0015","95.315","0.001","109.101","0.001","111.843","0.001","2503.7","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H70 Ge O2 -","- C63 H70 Ge O2 -","- C126 H140 Ge2 O4 -","2","1","","Xinping Wang; Zhongliang Zhu; Yang Peng; Hao Lei; James C. Fettinger; Philip P. Power","Room-Temperature Reaction of Carbon Monoxide with a Stable Diarylgermylene","Journal of the American Chemical Society","2009","131","","6912","6913","10.1021/ja9017286","","","0.71073","MoKα","","0.0802","0.0464","","","0.1044","0.1131","","","","","","0.978","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104415","10.8193","0.0005","49.856","0.002","14.1848","0.0006","90","","97.784","0.001","90","","7580.9","0.6","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C185 H228 Ge2 O4 -","- C185 H228 Ge2 O4 -","- C370 H456 Ge4 O8 -","2","0.5","","Xinping Wang; Zhongliang Zhu; Yang Peng; Hao Lei; James C. Fettinger; Philip P. Power","Room-Temperature Reaction of Carbon Monoxide with a Stable Diarylgermylene","Journal of the American Chemical Society","2009","131","","6912","6913","10.1021/ja9017286","","","0.71073","MoKα","","0.0792","0.0509","","","0.1154","0.1229","","","","","","1.045","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104416","8.404","0.0009","5.9967","0.0006","11.1389","0.001","90","","106.366","0.004","90","","538.61","0.09","150","1","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O2 S -","- C12 H14 O2 S -","- C24 H28 O4 S2 -","2","1","","Matthew M. Coulter; Peter K. Dornan; Vy M. Dong","Rh-Catalyzed Intramolecular Olefin Hydroacylation: Enantioselective Synthesis of Seven- and Eight-Membered Heterocycles","Journal of the American Chemical Society","2009","131","","6932","6933","10.1021/ja901915u","","","0.71073","MoKα","","0.0665","0.0457","","","0.0979","0.1103","","","","","","1.063","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104417","8.2853","0.0004","13.867","0.0008","6.4876","0.0003","90","","103.698","0.003","90","","724.17","0.06","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Cl4 Co2 O4 -","- C8 H16 Cl4 Co2 O4 -","- C16 H32 Cl8 Co4 O8 -","2","0.25","","Zhiming Duan; Yan Zhang; Bin Zhang; Daoben Zhu","Crystal-to-Crystal Transformation from Antiferromagnetic Chains into a Ferromagnetic Diamondoid Framework","Journal of the American Chemical Society","2009","131","","6934","6935","10.1021/ja902101x","","","0.71073","MoKα","","0.0367","0.027","","","0.063","0.0656","","","","","","1.076","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104418","6.859","0.0002","9.1904","0.0003","8.0991","0.0003","90","","114.854","0.001","90","","463.26","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 Cl Co0.5 O2 -","- C2 H6 Cl Co0.5 O2 -","- C8 H24 Cl4 Co2 O8 -","4","1","","Zhiming Duan; Yan Zhang; Bin Zhang; Daoben Zhu","Crystal-to-Crystal Transformation from Antiferromagnetic Chains into a Ferromagnetic Diamondoid Framework","Journal of the American Chemical Society","2009","131","","6934","6935","10.1021/ja902101x","","","0.71073","MoKα","","0.0298","0.023","","","0.0534","0.0554","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104419","6.3066","0.0007","8.188","0.0008","26.402","0.002","90","","90","","90","","1363.4","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br N2 O -","- C15 H15 Br N2 O -","- C60 H60 Br4 N8 O4 -","4","1","","David Marcoux; Soula Azzi; André B. Charette","TfNH2 as Achiral Hydrogen-Bond Donor Additive to Enhance the Selectivity of a Transition Metal Catalyzed Reaction. Highly Enantio- and Diastereoselective Rhodium-Catalyzed Cyclopropanation of Alkenes Using α-Cyano Diazoacetamide","Journal of the American Chemical Society","2009","131","","6970","6972","10.1021/ja902205f","","","1.54178","CuKα","","0.0349","0.0347","","","0.0938","0.094","","","","","","1.071","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104420","22.8055","0.0012","23.0389","0.0012","17.2256","0.0009","90","","90","","90","","9050.6","0.8","153","2","153","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52 H46 Ir N O9 P2 -","- C48 H36 Ir N O8 P2 -","- C384 H288 Ir8 N8 O64 P16 -","8","2","","Soo Bong Han; In Su Kim; Hoon Han; Michael J. Krische","Enantioselective Carbonyl Reverse Prenylation from the Alcohol or Aldehyde Oxidation Level Employing 1,1-Dimethylallene as the Prenyl Donor","Journal of the American Chemical Society","2009","131","","6916","6917","10.1021/ja902437k","","","0.71073","MoKα","","0.1042","0.0809","","","0.1462","0.1495","","","","","","1.769","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104421","12.9468","0.001","10.525","0.0008","20.5386","0.0018","90","","93.473","0.005","90","","2793.6","0.4","193","2","193","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C57 H56 B Cl3 F4 Fe Ni O P4 S2 -","- C57 H56 B Cl3 F4 Fe Ni O P4 S2 -","- C114 H112 B2 Cl6 F8 Fe2 Ni2 O2 P8 S4 -","2","1","","Bryan E. Barton; C. Matthew Whaley; Thomas B. Rauchfuss; Danielle L. Gray","Nickel-Iron Dithiolato Hydrides Relevant to the [NiFe]-Hydrogenase Active Site","Journal of the American Chemical Society","2009","131","","6942","6943","10.1021/ja902570u","","","0.71073","MoKα","","0.0854","0.0596","","","0.132","0.145","","","","","","1.167","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104422","9.8894","0.0007","11.643","0.0008","20.6688","0.0015","74.482","0.005","84.864","0.004","77.498","0.004","2237.5","0.3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C84 H102 B2 F8 Fe2 Ni2 O11 P4 S4 -","- C83.992 H101.984 B2 F8 Fe2 Ni2 O10.998 P4 S4 -","- C83.992 H101.984 B2 F8 Fe2 Ni2 O10.998 P4 S4 -","1","0.5","","Bryan E. Barton; C. Matthew Whaley; Thomas B. Rauchfuss; Danielle L. Gray","Nickel-Iron Dithiolato Hydrides Relevant to the [NiFe]-Hydrogenase Active Site","Journal of the American Chemical Society","2009","131","","6942","6943","10.1021/ja902570u","","","0.71073","MoKα","","0.2166","0.0702","","","0.1282","0.178","","","","","","0.961","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104423","28.776","0.014","11.868","0.006","32.32","0.02","90","","115.653","0.006","90","","9950","9","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C64 H42 Cl4 N4 -","- C64 H42 Cl4 N4 -","- C512 H336 Cl32 N32 -","8","1","","Hiroshi Miyasaka; Yusuke Satoh; Yukihide Ishibashi; Syoji Ito; Yutaka Nagasawa; Seiji Taniguchi; Haik Chosrowjan; Noboru Mataga; Daisuke Kato; Azusa Kikuchi; Jiro Abe","Ultrafast Photodissociation Dynamics of a Hexaarylbiimidazole Derivative with Pyrenyl Groups: Dispersive Reaction from Femtosecond to 10 ns Time Regions","Journal of the American Chemical Society","2009","131","","7256","7263","10.1021/ja809195s","","","0.71073","MoKα","","0.0822","0.0699","","","0.171","0.1801","","","","","","1.032","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104424","16.21","0.004","20.391","0.005","23.229","0.006","90","","98.095","0.012","90","","7602","3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H58 F20 N6 Si2 -","- C76 H58 F20 N6 Si2 -","- C304 H232 F80 N24 Si8 -","4","1","","Min-Chul Yoon; Sung Cho; Masaaki Suzuki; Atsuhiro Osuka; Dongho Kim","Aromatic versus Antiaromatic Effect on Photophysical Properties of Conformationally Lockedtrans-Vinylene-Bridged Hexaphyrins","Journal of the American Chemical Society","2009","131","","7360","7367","10.1021/ja9000536","","","0.71075","MoKα","","0.1556","0.1267","","","0.3595","0.3746","","","","","","1.322","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104425","11.2927","0.0012","12.2466","0.0013","15.2241","0.0015","73.373","0.002","79.17","0.002","68.124","0.002","1864.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","dppmAu2Br6","","","- C26 H24 Au2 Br6 Cl2 P2 -","- C26 H24 Au2 Br6 Cl2 P2 -","- C52 H48 Au4 Br12 Cl4 P4 -","2","1","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0658","0.0408","","","0.1042","0.1189","","","","","","1.021","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104426","9.5914","0.0008","15.0383","0.0013","26.602","0.002","90","","96.941","0.002","90","","3808.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","dcpmAu2Br6","","","- C27 H50 Au2 Br6 Cl2 P2 -","- C27 H50 Au2 Br6 Cl2 P2 -","- C108 H200 Au8 Br24 Cl8 P8 -","4","1","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0407","0.0344","","","0.073","0.0749","","","","","","1.173","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104427","15.787","0.002","15.787","0.002","30.811","0.004","90","","90","","120","","6650.2","1.5","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C30 H51 Au2 Cl12 P2 -","- C30 H51 Au2 Cl12 P2 -","- C180 H306 Au12 Cl72 P12 -","6","1","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0471","0.0406","","","0.1026","0.108","","","","","","1.079","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104428","9.9293","0.0006","14.9256","0.0009","21.1774","0.0013","90","","93.054","0.001","90","","3134","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dppmAu2Cl6","","","- C26 H24 Au2 Cl8 P2 -","- C26 H24 Au2 Cl8 P2 -","- C104 H96 Au8 Cl32 P8 -","4","1","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0301","0.0234","","","0.0481","0.0507","","","","","","1.032","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104429","12.57","0.003","13.011","0.003","16.508","0.003","90","","90","","90","","2699.9","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dppmAuClAuCl3","","","- C25 H22 Au2 Cl4 P2 -","- C25 H22 Au2 Cl4 P2 -","- C100 H88 Au8 Cl16 P8 -","4","1","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0315","0.0293","","","0.0671","0.0678","","","","","","1.052","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104430","11.7519","0.0009","14.3982","0.001","19.2592","0.0014","90","","95.461","0.001","90","","3244","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dcpm(AuBr)(AuBr3)","","","- C25 H46 Au2 Br4 P2 -","- C25 H46 Au2 Br4 P2 -","- C100 H184 Au8 Br16 P8 -","4","1","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0444","0.0319","","","0.0748","0.0805","","","","","","1.048","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104431","17.2194","0.0014","13.7859","0.0014","18.2238","0.0016","90","","99.905","0.002","90","","4261.6","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","PCy3AuCl3","","","- C18 H33 Au Cl3 P -","- C18 H33 Au Cl3 P -","- C144 H264 Au8 Cl24 P8 -","8","1","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0437","0.0341","","","0.065","0.0681","","","","","","1.122","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104432","14.7919","0.0009","16.4575","0.001","9.0123","0.0005","90","","90","","90","","2193.9","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","PCy3AuBr3","","","- C18 H33 Au Br3 P -","- C18 H33 Au Br3 P -","- C72 H132 Au4 Br12 P4 -","4","0.5","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0295","0.0224","","","0.0474","0.0501","","","","","","1.05","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104433","25.9305","0.0012","5.0875","0.0003","14.8171","0.0008","90","","119.549","0.001","90","","1700.45","0.16","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- As F10 N S Xe -","- As F10 N S Xe -","- As8 F80 N8 S8 Xe8 -","8","1","","Gregory L. Smith; Hélène P. A. Mercier; Gary J. Schrobilgen","Solid-State and Solution Rearrangements of F3S\τbNXeF+ Leading to the F4S=NXe+ Cation; Syntheses, HF Solvolyses, and Structural Characterizations of [F4S=NXe][AsF6] and [F4S=NH2][AsF6]","Journal of the American Chemical Society","2009","131","","7272","7286","10.1021/ja901187n","","","0.71073","MoKα","","0.0265","0.0224","","","0.0509","0.0524","","","","","","1.081","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104434","5.4447","0.0006","6.6457","0.0007","10.3063","0.0011","89.484","0.009","87.479","0.007","74.955","0.007","359.79","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","F4 S N H2, As F6","","","- As F10 H2 N S -","- As F10 H2 N S -","- As2 F20 H4 N2 S2 -","2","1","","Gregory L. Smith; Hélène P. A. Mercier; Gary J. Schrobilgen","Solid-State and Solution Rearrangements of F3S\τbNXeF+ Leading to the F4S=NXe+ Cation; Syntheses, HF Solvolyses, and Structural Characterizations of [F4S=NXe][AsF6] and [F4S=NH2][AsF6]","Journal of the American Chemical Society","2009","131","","7272","7286","10.1021/ja901187n","","","0.71073","MoKα","","0.1335","0.0855","","","0.1623","0.1725","","","","","","1.418","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104435","13.653","0.004","14.23","0.004","17.518","0.005","77.44","0.004","86.604","0.004","89.381","0.004","3316.1","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H59 F3 I N O12 P4 -","- C67 H59 F3 I N O12 P4 -","- C134 H118 F6 I2 N2 O24 P8 -","2","1","","Elisa Biavardi; Maria Favazza; Alessandro Motta; Ignazio L. Fragalà; Chiara Massera; Luca Prodi; Marco Montalti; Monica Melegari; Guglielmo G. Condorelli; Enrico Dalcanale","Molecular Recognition on a Cavitand-Functionalized Silicon Surface","Journal of the American Chemical Society","2009","131","","7447","7455","10.1021/ja901678b","","","0.71073","MoKα","","0.0631","0.0468","","","0.1403","0.142","","","","","","1.029","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104436","15.313","0.003","16.539","0.004","16.677","0.004","67.754","0.004","68.076","0.004","85.881","0.004","3614.6","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H82 I N O16 P4 -","- C64 H64 I N O13 P4 -","- C128 H128 I2 N2 O26 P8 -","2","1","","Elisa Biavardi; Maria Favazza; Alessandro Motta; Ignazio L. Fragalà; Chiara Massera; Luca Prodi; Marco Montalti; Monica Melegari; Guglielmo G. Condorelli; Enrico Dalcanale","Molecular Recognition on a Cavitand-Functionalized Silicon Surface","Journal of the American Chemical Society","2009","131","","7447","7455","10.1021/ja901678b","","","0.71069","MoKα","","0.1207","0.0751","","","0.1825","0.1958","","","","","","1.011","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104437","14.141","0.004","14.141","0.004","11.289","0.004","90","","90","","90","","2257.4","1.2","100","2","100","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C11 H20 O3 -","- C11 H20 O3 -","- C88 H160 O24 -","8","1","","Giuditta Guazzelli; Sara De Grazia; Karl D. Collins; Hiroshi Matsubara; Malcolm Spain; David J. Procter","Selective Reductions of Cyclic 1,3-Diesters Using SmI2 and H2O","Journal of the American Chemical Society","2009","131","","7214","7215","10.1021/ja901715d","","","0.71073","MoKα","","0.1013","0.0701","","","0.1745","0.1895","","","","","","1.056","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104438","3.8933","0.0001","46.6322","0.0006","5.7018","0.0001","90","","91.017","0.001","90","","1035.02","0.03","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.0652","0.0518","","","0.1441","0.1598","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104439","3.8085","0.0002","46.6731","0.0019","5.9322","0.0003","90","","91.53","0.003","90","","1054.1","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O4 -","- C11.88 H9.9 O3.96 -","- C47.52 H39.6 O15.84 -","4","1","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.1695","0.1515","","","0.4865","0.5001","","","","","","2.367","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104440","3.876","0.0016","22.776","0.01","5.892","0.003","90","","91.571","0.007","90","","519.9","0.4","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C24 H20 O8 -","2","0.5","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.0909","0.0616","","","0.1782","0.2032","","","","","","1.055","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104441","3.8266","0.0002","23.0145","0.0009","5.9776","0.0002","90","","91.777","0.003","90","","526.18","0.04","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C24 H20 O8 -","2","0.5","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.1477","0.083","","","0.2817","0.3529","","","","","","1.059","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104442","24.7573","0.0011","5.6223","0.0002","3.8806","0.0002","90","","90","","90","","540.15","0.04","296","2","296","2","","","","","","","","3","P m a 2","P 2 -2a","28","","","","- C12 H12 O5 -","- C12 H12 O5 -","- C24 H24 O10 -","2","0.5","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.0344","0.0297","","","0.0711","0.0742","","","","","","1.085","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104443","4.0165","0.0002","29.8961","0.0012","6.2402","0.0003","90","","90.084","0.004","90","","749.31","0.06","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C16 H18 O6 -","- C16 H18 O6 -","- C32 H36 O12 -","2","0.5","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.0654","0.0383","","","0.0849","0.0919","","","","","","0.958","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104444","16.2402","0.0019","15.7995","0.0019","12.7087","0.0015","90","","125.498","0.001","90","","2654.8","0.5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C112 H112 O40 -","8","1","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.0672","0.0473","","","0.1452","0.1705","","","","","","1.043","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104445","7.5745","0.0015","3.8768","0.0008","28.671","0.006","90","","92.45","0.03","90","","841.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","1","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.0578","0.0437","","","0.1136","0.1259","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104446","10.934","0.002","14.085","0.003","18.36","0.004","68.08","0.03","76.48","0.03","76.01","0.03","2512.8","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","5,20-diphenyl-10,15-ditolyl-2-oksa-3-okso-21 -diphenylphosphoryloporhyrinato copper(II) dichloromathane disolvate","","- C60 H44 Cl4 Cu N3 O3 P -","- C60 H44 Cl4 Cu N3 O3 P -","- C120 H88 Cl8 Cu2 N6 O6 P2 -","2","1","","Norbert Grzegorzek; Miłosz Pawlicki; Ludmiła Szterenberg; Lechosław Latos-Grażyński","Organocopper(II) Complex of 21-Diphenylphosphoryl-Carbaporpholactone Hybrid: A Side-On Coordination Mode of Copper(II)","Journal of the American Chemical Society","2009","131","","7224","7225","10.1021/ja902310n","","","0.71073","MoKα","","0.0961","0.0552","","","0.1109","0.1225","","","","","","1.054","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104447","16.573","0.003","18.521","0.004","19.981","0.004","105.37","0.03","90.18","0.03","94.18","0.03","5896","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H54 Cl3 N3 O3.5 P -","- C63 H54 Cl3 N3 O3.5 P -","- C252 H216 Cl12 N12 O14 P4 -","4","2","","Norbert Grzegorzek; Miłosz Pawlicki; Ludmiła Szterenberg; Lechosław Latos-Grażyński","Organocopper(II) Complex of 21-Diphenylphosphoryl-Carbaporpholactone Hybrid: A Side-On Coordination Mode of Copper(II)","Journal of the American Chemical Society","2009","131","","7224","7225","10.1021/ja902310n","","","0.71073","MoKα","","0.1566","0.0977","","","0.259","0.2938","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104448","11.0868","0.0016","10.1911","0.0014","13.851","0.002","90","","102.926","0.005","90","","1525.3","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H33 Cl2 N3 Ni O3 -","- C34 H33 Cl2 N3 Ni O3 -","- C68 H66 Cl4 N6 Ni2 O6 -","2","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.042","0.0405","","","0.1102","0.1117","","","","","","1.002","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104449","23.999","0.004","8.8743","0.0016","18.269","0.003","90","","121.612","0.005","90","","3313.5","1","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C35 H37 Cl2 N3 Ni O4 -","- C34 H33 Cl2 N3 Ni O3 -","- C136 H132 Cl8 N12 Ni4 O12 -","4","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.0642","0.0546","","","0.1462","0.1525","","","","","","1.037","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104450","9.8982","0.0012","12.9223","0.0016","21.547","0.002","90","","90","","90","","2756","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 N4 Ni O3 -","- C28 H29 N3 Ni O3 -","- C112 H116 N12 Ni4 O12 -","4","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.0233","0.0229","","","0.0598","0.06","","","","","","1.003","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104451","10.3867","0.0016","8.1085","0.0012","17.113","0.002","90","","95.665","0.005","90","","1434.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H33 N3 Ni O3 -","- C34 H33 N3 Ni O3 -","- C68 H66 N6 Ni2 O6 -","2","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.027","0.0264","","","0.0694","0.0701","","","","","","1.009","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104452","10.1519","0.0014","9.4117","0.0012","13.988","0.002","90","","107.886","0.005","90","","1271.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H33 N3 Ni O3 -","- C30 H33 N3 Ni O3 -","- C60 H66 N6 Ni2 O6 -","2","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.0269","0.0262","","","0.0668","0.0673","","","","","","1.006","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104453","10.0845","0.0018","10.515","0.002","26.97","0.005","90","","90","","90","","2859.9","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 Cl2 N3 Ni O3 -","- C31 H35 Cl2 N3 Ni O3 -","- C124 H140 Cl8 N12 Ni4 O12 -","4","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.0353","0.0325","","","0.0824","0.084","","","","","","1.01","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104454","10.453","0.002","9.1137","0.0016","13.473","0.002","90","","97.062","0.005","90","","1273.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 Ni O3 -","- C29 H31 N3 Ni O3 -","- C58 H62 N6 Ni2 O6 -","2","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.0283","0.0273","","","0.0675","0.0681","","","","","","1.026","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104455","11.4816","0.0007","20.3721","0.0013","12.4196","0.0008","90","","115.692","0.001","90","","2617.8","0.3","193","2","193","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C60 H58 F3 Ir N O5 P S -","- C60 H58 F3 Ir N O5 P S -","- C120 H116 F6 Ir2 N2 O10 P2 S2 -","2","1","","Sherzod T. Madrahimov; Dean Markovic; John F. Hartwig","The Allyl Intermediate in Regioselective and Enantioselective Iridium-Catalyzed Asymmetric Allylic Substitution Reactions","Journal of the American Chemical Society","2009","131","","7228","7229","10.1021/ja902609g","","","0.71073","MoKα","","0.0224","0.0197","","","0.0468","0.0479","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104456","11.84","0.005","20.679","0.009","12.619","0.006","90","","117.75","0.006","90","","2734","2","193","2","193","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C60 H60 F6 Ir N O2 P Sb -","- C60 H60 F6 Ir N O2 P Sb -","- C120 H120 F12 Ir2 N2 O4 P2 Sb2 -","2","1","","Sherzod T. Madrahimov; Dean Markovic; John F. Hartwig","The Allyl Intermediate in Regioselective and Enantioselective Iridium-Catalyzed Asymmetric Allylic Substitution Reactions","Journal of the American Chemical Society","2009","131","","7228","7229","10.1021/ja902609g","","","0.71073","MoKα","","0.0766","0.0492","","","0.1158","0.1208","","","","","","0.906","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104457","8.8617","0.0005","20.047","0.0008","9.7565","0.0004","90","","112.839","0.006","90","","1597.36","0.15","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","HLSi(OH)-Ni(CO)3","","","- C32 H42 N2 Ni O4 Si -","- C32 H42 N2 Ni O4 Si -","- C64 H84 N4 Ni2 O8 Si2 -","2","0.5","","Antje Meltzer; Carsten Präsang; Matthias Driess","Diketiminate Silicon(II) and Related NHSi Ligands Generated in the Coordination Sphere of Nickel(0)","Journal of the American Chemical Society","2009","131","","7232","7233","10.1021/ja9026727","","","0.71073","MoKα","","0.0803","0.0425","","","0.0895","0.0971","","","","","","0.899","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104458","10.8132","0.0003","11.6057","0.0003","17.4222","0.0005","105.188","0.003","98.328","0.002","107.146","0.003","1956.91","0.11","173","2","173","2","","","","","","","","8","P -1","-P 1","2","HLSi(OTf)-Ni(CO)3*1/2hexane","","","- C36 H48 F3 N2 Ni O6 S Si -","- C36 H48 F3 N2 Ni O6 S Si -","- C72 H96 F6 N4 Ni2 O12 S2 Si2 -","2","1","","Antje Meltzer; Carsten Präsang; Matthias Driess","Diketiminate Silicon(II) and Related NHSi Ligands Generated in the Coordination Sphere of Nickel(0)","Journal of the American Chemical Society","2009","131","","7232","7233","10.1021/ja9026727","","","0.71073","MoKα","","0.0523","0.0364","","","0.0791","0.0836","","","","","","1.016","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104459","14.6855","0.0003","20.2466","0.0007","20.5691","0.0007","64.292","0.003","71.71","0.003","87.14","0.002","5205.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","(C6F5)3B-LSi=Ni(CO)3 * 1/2 toluene","","","- C107 H88 B2 F30 N4 Ni2 O6 Si2 -","- C107 H88 B2 F30 N4 Ni2 O6 Si2 -","- C214 H176 B4 F60 N8 Ni4 O12 Si4 -","2","1","","Antje Meltzer; Carsten Präsang; Matthias Driess","Diketiminate Silicon(II) and Related NHSi Ligands Generated in the Coordination Sphere of Nickel(0)","Journal of the American Chemical Society","2009","131","","7232","7233","10.1021/ja9026727","","","0.71073","MoKα","","0.1135","0.0603","","","0.1148","0.1271","","","","","","1.073","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104460","14.182","0.004","20.088","0.006","28.868","0.009","90","","96.456","0.006","90","","8172","4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H88 N4 O20 Rh2 -","- C60 H64 N4 O18 Rh2 -","- C240 H256 N16 O72 Rh8 -","4","2","","Andrew DeAngelis; Olga Dmitrenko; Glenn P. A. Yap; Joseph M. Fox","Chiral Crown Conformation of Rh2(S-PTTL)4: Enantioselective Cyclopropanation with α-Alkyl-α-diazoesters","Journal of the American Chemical Society","2009","131","","7230","7231","10.1021/ja9026852","","","0.71073","MoKα","","0.1229","0.0718","","","0.1053","0.1173","","","","","","1.02","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104461","11.961","0.004","5.5326","0.0019","15.785","0.005","90","","109.747","0.005","90","","983.2","0.6","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C46 H50 N2 O6 -","2","1","","Andrew DeAngelis; Olga Dmitrenko; Glenn P. A. Yap; Joseph M. Fox","Chiral Crown Conformation of Rh2(S-PTTL)4: Enantioselective Cyclopropanation with α-Alkyl-α-diazoesters","Journal of the American Chemical Society","2009","131","","7230","7231","10.1021/ja9026852","","","0.71073","MoKα","","0.043","0.0374","","","0.1015","0.1123","","","","","","1.048","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104462","8.25","0.0009","9.685","0.0009","21.036","0.0013","96.373","0.005","98.346","0.006","101.48","0.003","1612.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H37 I N4 Pt2 Si -","- C29 H37 I N4 Pt2 Si -","- C58 H74 I2 N8 Pt4 Si2 -","2","1","","Allan J. Canty; Michael G. Gardiner; Roderick C. Jones; Thomas Rodemann; Manab Sharma","Binuclear Intermediates in Oxidation Reactions: [(Me3SiC\τbC)Me2(bipy)Pt-PtMe2(bipy)]+ in the Oxidation of PtIIMe2(bipy) (bipy = 2,2'-Bipyridine) by IPh(C\τbCSiMe3)(OTf) (OTf = Triflate)","Journal of the American Chemical Society","2009","131","","7236","7237","10.1021/ja902799u","","","0.77487","Synchrotron","","0.0301","0.0296","","","0.0787","0.0791","","","","","","1.065","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104463","9.193","0.007","25.117","0.019","16.256","0.013","90","0.004","94.053","0.004","90","0.004","3744","5","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 N O2 P2 Ru -","- C45 H39 N O2 P2 Ru -","- C180 H156 N4 O8 P8 Ru4 -","4","1","","Tetsuro Koreeda; Takuya Kochi; Fumitoshi Kakiuchi","Cleavage of C-N Bonds in Aniline Derivatives on a Ruthenium Center and Its Relevance to Catalytic C-C Bond Formation","Journal of the American Chemical Society","2009","131","","7238","7239","10.1021/ja902829p","","","0.7107","MoKα","","0.0349","0.0306","","","0.069","0.0715","","","","","","1.13","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104464","10.564","0.004","19.327","0.007","18.127","0.007","90","0.0014","104.733","0.0016","90","0.0014","3579","2","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 N O3 P Ru -","- C41 H42 N O3 P Ru -","- C164 H168 N4 O12 P4 Ru4 -","4","1","","Tetsuro Koreeda; Takuya Kochi; Fumitoshi Kakiuchi","Cleavage of C-N Bonds in Aniline Derivatives on a Ruthenium Center and Its Relevance to Catalytic C-C Bond Formation","Journal of the American Chemical Society","2009","131","","7238","7239","10.1021/ja902829p","","","0.7107","MoKα","","0.0427","0.0393","","","0.0949","0.0977","","","","","","1.098","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104465","10.724","0.003","18.588","0.006","18.785","0.006","90","","102.085","0.003","90","","3662","2","93.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 N O3 P Ru -","- C42 H44 N O3 P Ru -","- C168 H176 N4 O12 P4 Ru4 -","4","1","","Tetsuro Koreeda; Takuya Kochi; Fumitoshi Kakiuchi","Cleavage of C-N Bonds in Aniline Derivatives on a Ruthenium Center and Its Relevance to Catalytic C-C Bond Formation","Journal of the American Chemical Society","2009","131","","7238","7239","10.1021/ja902829p","","","0.71075","MoKα","","","0.0364","","","","0.0917","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104466","14.19","0.03","14.83","0.03","17.49","0.04","71.79","0.07","88.1","0.09","67.33","0.09","3210","12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H29 F29 N6 O -","- C72 H29 F29 N6 O -","- C144 H58 F58 N12 O2 -","2","1","","Sumito Tokuji; Jae-Yoon Shin; Kil Suk Kim; Jong Min Lim; Katsuyuki Youfu; Shohei Saito; Dongho Kim; Atsuhiro Osuka","Facile Formation of a Benzopyrane-Fused [28]Hexaphyrin That Exhibits Distinct Möbius Aromaticity","Journal of the American Chemical Society","2009","131","","7240","7241","10.1021/ja902836x","","","0.71075","MoKα","","0.1401","0.1057","","","0.2693","0.3035","","","","","","1.029","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104467","7.4202","0.0008","10.7636","0.0011","19.946","0.002","90","","90","","90","","1593","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 B O4 -","- C16 H25 B O4 -","- C64 H100 B4 O16 -","4","1","","Kang-sang Lee; Adil R. Zhugralin; Amir H. Hoveyda","Efficient C-B Bond Formation Promoted by N-Heterocyclic Carbenes: Synthesis of Tertiary and Quaternary B-Substituted Carbons through Metal-Free Catalytic Boron Conjugate Additions to Cyclic and Acyclic α,β-Unsaturated Carbonyls","Journal of the American Chemical Society","2009","131","","7253","7255","10.1021/ja902889s","","","0.71073","MoKα","","0.0406","0.0377","","","0.0938","0.096","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104468","5.9436","0.0008","16.888","0.002","17.475","0.002","90","","93.841","0.002","90","","1750.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 B O4 -","- C19 H27 B O4 -","- C76 H108 B4 O16 -","4","1","","Kang-sang Lee; Adil R. Zhugralin; Amir H. Hoveyda","Efficient C-B Bond Formation Promoted by N-Heterocyclic Carbenes: Synthesis of Tertiary and Quaternary B-Substituted Carbons through Metal-Free Catalytic Boron Conjugate Additions to Cyclic and Acyclic α,β-Unsaturated Carbonyls","Journal of the American Chemical Society","2009","131","","7253","7255","10.1021/ja902889s","","","0.71073","MoKα","","0.0468","0.0417","","","0.106","0.1104","","","","","","1.041","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104469","12.509","0.003","32.442","0.007","9.963","0.002","90","","108.603","0.003","90","","3831.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 B Br O4 -","- C19 H26 B Br O4 -","- C152 H208 B8 Br8 O32 -","8","2","","Kang-sang Lee; Adil R. Zhugralin; Amir H. Hoveyda","Efficient C-B Bond Formation Promoted by N-Heterocyclic Carbenes: Synthesis of Tertiary and Quaternary B-Substituted Carbons through Metal-Free Catalytic Boron Conjugate Additions to Cyclic and Acyclic α,β-Unsaturated Carbonyls","Journal of the American Chemical Society","2009","131","","7253","7255","10.1021/ja902889s","","","0.71073","MoKα","","0.0432","0.0323","","","0.073","0.0777","","","","","","1.033","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104470","12.399","0.002","32.215","0.005","9.9188","0.0017","90","","109.176","0.002","90","","3742.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 B Cl O4 -","- C19 H26 B Cl O4 -","- C152 H208 B8 Cl8 O32 -","8","2","","Kang-sang Lee; Adil R. Zhugralin; Amir H. Hoveyda","Efficient C-B Bond Formation Promoted by N-Heterocyclic Carbenes: Synthesis of Tertiary and Quaternary B-Substituted Carbons through Metal-Free Catalytic Boron Conjugate Additions to Cyclic and Acyclic α,β-Unsaturated Carbonyls","Journal of the American Chemical Society","2009","131","","7253","7255","10.1021/ja902889s","","","0.71073","MoKα","","0.0741","0.0481","","","0.0957","0.1048","","","","","","1.046","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104471","11.322","0.002","19.295","0.003","11.91","0.002","90","","111.634","0.004","90","","2418.6","0.7","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H54 Cl N4 O3 P -","- C58 H54 Cl N4 O3 P -","- C116 H108 Cl2 N8 O6 P2 -","2","1","","Daisuke Uraguchi; Daisuke Nakashima; Takashi Ooi","Chiral Arylaminophosphonium Barfates as a New Class of Charged Brønsted Acid for the Enantioselective Activation of Nonionic Lewis Bases","Journal of the American Chemical Society","2009","131","","7242","7243","10.1021/ja903271t","","","0.71073","MoKα","","0.0482","0.0443","","","0.1118","0.1151","","","","","","1.038","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104472","10.383","0.003","21.787","0.006","25.368","0.006","90","","90","","90","","5739","3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H66 Cl N4 O4 P -","- C66 H66 Cl N4 O4 P -","- C264 H264 Cl4 N16 O16 P4 -","4","1","","Daisuke Uraguchi; Daisuke Nakashima; Takashi Ooi","Chiral Arylaminophosphonium Barfates as a New Class of Charged Brønsted Acid for the Enantioselective Activation of Nonionic Lewis Bases","Journal of the American Chemical Society","2009","131","","7242","7243","10.1021/ja903271t","","","0.71073","MoKα","","0.0911","0.0602","","","0.1362","0.1524","","","","","","1.023","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104473","27.1026","0.0003","27.1026","0.0003","12.2397","0.0004","90","","90","","90","","8990.7","0.3","20","2","20","2","","","","","","","","5","I -4","I -4","82","","","","- C55.96 H47.56 Cl8.28 Co4 N16 -","- C55.9607 H47.5573 Cl8.28533 Co4 N16 -","- C335.764 H285.344 Cl49.712 Co24 N96 -","6","0.75","","Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen","Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains","Journal of the American Chemical Society","2009","131","","7580","7591","10.1021/ja8091032","","","0.643","","","0.0678","0.0524","","","0.1337","0.1401","","","","","","1.043","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104474","27.2473","0.0003","27.2473","0.0003","12.257","0.0003","90","","90","","90","","9099.8","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C56.1 H47.49 Cl8.19 Co4 N16 -","- C56.0853 H47.4667 Cl8.17067 Co4 N16 -","- C336.512 H284.8 Cl49.024 Co24 N96 -","6","0.75","","Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen","Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains","Journal of the American Chemical Society","2009","131","","7580","7591","10.1021/ja8091032","","","0.643","","","0.0767","0.0578","","","0.1439","0.1522","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104475","27.483","0.012","27.483","0.012","12.376","0.007","90","","90","","90","","9348","8","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C42.25 H35.75 Cl6.5 Co3 N12 -","- C42.1685 H35.684 Cl6.337 Co3 N12 -","- C337.348 H285.472 Cl50.696 Co24 N96 -","8","1","","Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen","Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains","Journal of the American Chemical Society","2009","131","","7580","7591","10.1021/ja8091032","","","0.643","","","0.092","0.0637","","","0.1666","0.1854","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104476","27.132","0.003","27.132","0.003","12.201","0.002","90","","90","","90","","8982","2","100","1","","","","","","","","","","5","I -4","I -4","82","","","","- C42.11 H35.7 Cl6.21 Co3 N12 -","- C42.1055 H35.702 Cl6.2109 Co3 N12 -","- C336.844 H285.616 Cl49.6872 Co24 N96 -","8","1","","Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen","Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains","Journal of the American Chemical Society","2009","131","","7580","7591","10.1021/ja8091032","","","0.71073","MoKα","","0.043","0.031","","","","0.055","","","","","","1.316","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104477","28.692","0.007","13.346","0.004","21.297","0.006","90","","93.17","0.009","90","","8143","4","298.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 Zr -","- C46 H37 Zr -","- C368 H296 Zr8 -","8","1","","Shenyong Ren; Eri Igarashi; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Coupling of the R-Cp or Indenyl Ligand with the Diene Moiety of Bis(substituted cyclopentadienyl)- or Bis(indenyl)zirconacyclopentadienes","Journal of the American Chemical Society","2009","131","","7492","7493","10.1021/ja809401s","","","0.71075","MoKα","","","0.0742","","","","0.2623","","","","","","0.978","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104478","16.843","0.004","12.551","0.004","18.114","0.007","90","","97.89","0.05","90","","3793","2","298.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Zr -","- C50 H42 Zr -","- C200 H168 Zr4 -","4","1","","Shenyong Ren; Eri Igarashi; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Coupling of the R-Cp or Indenyl Ligand with the Diene Moiety of Bis(substituted cyclopentadienyl)- or Bis(indenyl)zirconacyclopentadienes","Journal of the American Chemical Society","2009","131","","7492","7493","10.1021/ja809401s","","","0.7107","MoKα","","","0.0493","","","","0.0596","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104479","16.692","0.0006","15.0251","0.0006","17.9256","0.0006","90","","90","","90","","4495.7","0.3","298.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H28 N4 -","- C27 H28 N4 -","- C216 H224 N32 -","8","1","","Shenyong Ren; Eri Igarashi; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Coupling of the R-Cp or Indenyl Ligand with the Diene Moiety of Bis(substituted cyclopentadienyl)- or Bis(indenyl)zirconacyclopentadienes","Journal of the American Chemical Society","2009","131","","7492","7493","10.1021/ja809401s","","","0.71075","MoKα","","","0.0714","","","","0.0682","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104480","11.7432","0.0002","11.5531","0.0004","22.8714","0.0009","90","","90","","90","","3102.97","0.17","150","1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H24 Br N P2 Si -","- C8 H24 Br N P2 Si -","- C64 H192 Br8 N8 P16 Si8 -","8","1","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.0704","0.0395","","","0.0859","0.0983","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104481","14.0798","0.0007","17.0889","0.0008","18.0705","0.0006","118.17","0.002","104.297","0.003","90.164","0.002","3677.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H30 Br N P2 Si -","- C11 H29.75 Br N P2 Si -","- C88 H238 Br8 N8 P16 Si8 -","8","4","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.1966","0.1478","","","0.4397","0.4493","","","","","","2.564","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104482","12.4326","0.0002","28.4196","0.0007","36.7682","0.0009","90","","90","","90","","12991.3","0.5","150","1","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H30 F3 N O3 P2 S Si -","- C12 H30 F3 N O3 P2 S Si -","- C288 H720 F72 N24 O72 P48 S24 Si24 -","24","3","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.1022","0.053","","","0.1115","0.1303","","","","","","1.014","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104483","14.9772","0.0008","10.9378","0.0004","11.6076","0.0011","90","","102.029","0.002","90","","1859.8","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H29 Br N P3 Si -","- C10 H29 Br N P3 Si -","- C40 H116 Br4 N4 P12 Si4 -","4","1","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.0883","0.0653","","","0.1775","0.1962","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104484","16.0802","0.0005","9.2065","0.0003","15.4421","0.0003","90","","111.208","0.002","90","","2131.26","0.11","150","1","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Br F6 N O2 P2 Si -","- C10 H22 Br F6 N O2 P2 Si -","- C40 H88 Br4 F24 N4 O8 P8 Si4 -","4","1","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.0777","0.0436","","","0.1037","0.1284","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104485","17.6985","0.0016","7.5122","0.0004","17.6621","0.0015","90","","93.383","0.003","90","","2344.2","0.3","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 Br F6 N O2 P2 Si -","- C13 H28 Br F6 N O2 P2 Si -","- C52 H112 Br4 F24 N4 O8 P8 Si4 -","4","1","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.1446","0.055","","","0.1068","0.1365","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104486","15.7111","0.0008","15.7111","0.0008","6.4101","0.0004","90","","90","","90","","1582.26","0.15","150","1","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C8 H24 N4 P4 -","- C8 H24 N4 P4 -","- C32 H96 N16 P16 -","4","0.25","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.0494","0.0354","","","0.08","0.0875","","","","","","1.07","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104487","8.94","0.005","20.345","0.011","9.707","0.005","90","","107.521","0.009","90","","1683.6","1.6","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Yasufumi Yoshino; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarboxylative Carboamination of Alkynes with Isatoic Anhydrides","Journal of the American Chemical Society","2009","131","","7494","7495","10.1021/ja900805y","","","0.71073","MoKα","","0.058","0.0498","","","0.1402","0.1478","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104488","15.276","0.002","9.5922","0.0013","24.512","0.003","90","","101.123","0.002","90","","3524.3","0.8","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 N O -","- C21 H23 N O -","- C168 H184 N8 O8 -","8","1","","Yasufumi Yoshino; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarboxylative Carboamination of Alkynes with Isatoic Anhydrides","Journal of the American Chemical Society","2009","131","","7494","7495","10.1021/ja900805y","","","0.71073","MoKα","","0.106","0.0785","","","0.222","0.2525","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104489","13.78","0.002","10.9493","0.0019","11.0724","0.0019","90","","102.445","0.003","90","","1631.4","0.5","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Yasufumi Yoshino; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarboxylative Carboamination of Alkynes with Isatoic Anhydrides","Journal of the American Chemical Society","2009","131","","7494","7495","10.1021/ja900805y","","","0.71073","MoKα","","0.0701","0.055","","","0.1651","0.1807","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104490","14.3502","0.0015","10.924","0.0012","11.3158","0.0012","90","","102.966","0.002","90","","1728.7","0.3","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O Si -","- C19 H21 N O Si -","- C76 H84 N4 O4 Si4 -","4","1","","Yasufumi Yoshino; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarboxylative Carboamination of Alkynes with Isatoic Anhydrides","Journal of the American Chemical Society","2009","131","","7494","7495","10.1021/ja900805y","","","0.71073","MoKα","","0.0546","0.0499","","","0.1455","0.1506","","","","","","1.038","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104491","10.103","0.009","17.836","0.017","12.044","0.012","90","","109.874","0.017","90","","2041","3","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O Si -","- C24 H23 N O Si -","- C96 H92 N4 O4 Si4 -","4","1","","Yasufumi Yoshino; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarboxylative Carboamination of Alkynes with Isatoic Anhydrides","Journal of the American Chemical Society","2009","131","","7494","7495","10.1021/ja900805y","","","0.71073","MoKα","","0.0669","0.0524","","","0.141","0.1537","","","","","","1.026","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104492","10.852","0.002","9.8548","0.0019","18.477","0.004","90","","104.764","0.003","90","","1910.8","0.7","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O Si -","- C21 H23 N O Si -","- C84 H92 N4 O4 Si4 -","4","1","","Yasufumi Yoshino; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarboxylative Carboamination of Alkynes with Isatoic Anhydrides","Journal of the American Chemical Society","2009","131","","7494","7495","10.1021/ja900805y","","","0.71073","MoKα","","0.0659","0.0574","","","0.173","0.1836","","","","","","1.019","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104493","8.231","0.0005","8.231","0.0005","22.399","0.003","90","","90","","120","","1314.2","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","catena-(Me2NH2)[Fe(HCOO)3]","catena-(dimethylammonium)-(tris(μ~2~-Formato-O,O')-iron(ii)","","- C5 H15 Fe N O6 -","- C5 H10.98 Fe N0.99 O6 -","- C30 H65.88 Fe6 N5.94 O36 -","6","0.166667","","Karl S. Hagen; Sunil G. Naik; Boi Hanh Huynh; Antonio Masello; George Christou","Intensely Colored Mixed-Valence Iron(II) Iron(III) Formate Analogue of Prussian Blue Exhibits Néel N-Type Ferrimagnetism","Journal of the American Chemical Society","2009","131","","7516","7517","10.1021/ja901093b","","x-ray","0.71073","MoKα","","0.0206","0.0199","","","0.0531","0.0535","","","","","","1.119","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104494","8.2512","0.0011","8.2512","0.0011","13.846","0.003","90","","90","","120","","816.4","0.2","173","2","173","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","catena-(Me2NH2)[Fe2(HCOO)6]","catena-(Dimethylammonium bis(μ~2~-formato-O,O')-iron(ii)-iron(iii)","","- C8 H18 Fe2 N O12 -","- C8 H13.98 Fe2 N0.99 O12 -","- C16 H27.96 Fe4 N1.98 O24 -","2","0.166667","","Karl S. Hagen; Sunil G. Naik; Boi Hanh Huynh; Antonio Masello; George Christou","Intensely Colored Mixed-Valence Iron(II) Iron(III) Formate Analogue of Prussian Blue Exhibits Néel N-Type Ferrimagnetism","Journal of the American Chemical Society","2009","131","","7516","7517","10.1021/ja901093b","","x-ray","0.71073","MoKα","","0.0305","0.0279","","","0.0747","0.0765","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104495","18.645","0.002","18.645","0.002","19.061","0.002","90","","90","","120","","5738.5","1.1","110","","110","","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C27 H52 N6 Ru Si6 -","- C27 H52 N6 Ru Si6 -","- C162 H312 N36 Ru6 Si36 -","6","0.333333","","Mary Grellier; Tahra Ayed; Jean-Claude Barthelat; Alberto Albinati; Sax Mason; Laure Vendier; Yannick Coppel; Sylviane Sabo-Etienne","Versatile Coordination of 2-Pyridinetetramethyldisilazane at Ruthenium: Ru(II) vs Ru(IV) As Evidenced by NMR, X-ray, Neutron, and DFT Studies","Journal of the American Chemical Society","2009","131","","7633","7640","10.1021/ja901140v","","","0.71073","MoKα","","0.0731","0.0361","","","0.0566","0.0632","","","","","","0.894","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104496","18.588","0.0003","18.588","0.0003","18.8361","0.0003","90","","90","","120","","5636.21","0.16","20","2","20","2","","","","","","","","5","R -3 :H","-R 3","148","Ru(H)[(SiMe2)(N-[(C5H4N)(SiMe2H)]3(PCy3)2","","","- C27 H52 N6 Ru Si6 -","- C27 H52 N6 Ru Si6 -","- C162 H312 N36 Ru6 Si36 -","6","0.333333","","Mary Grellier; Tahra Ayed; Jean-Claude Barthelat; Alberto Albinati; Sax Mason; Laure Vendier; Yannick Coppel; Sylviane Sabo-Etienne","Versatile Coordination of 2-Pyridinetetramethyldisilazane at Ruthenium: Ru(II) vs Ru(IV) As Evidenced by NMR, X-ray, Neutron, and DFT Studies","Journal of the American Chemical Society","2009","131","","7633","7640","10.1021/ja901140v","","neutron","1.16954","neutron","","0.108","0.0698","","","0.1306","0.1483","","","","","","1.119","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104497","9.831","0.002","21.651","0.004","11.917","0.002","90","","109.44","0.03","90","","2391.9","0.9","160","2","160","2","","","","","","","synthesis as described","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H86 N2 P2 Ru Si2 -","- C45 H86 N2 P2 Ru Si2 -","- C90 H172 N4 P4 Ru2 Si4 -","2","0.5","","Mary Grellier; Tahra Ayed; Jean-Claude Barthelat; Alberto Albinati; Sax Mason; Laure Vendier; Yannick Coppel; Sylviane Sabo-Etienne","Versatile Coordination of 2-Pyridinetetramethyldisilazane at Ruthenium: Ru(II) vs Ru(IV) As Evidenced by NMR, X-ray, Neutron, and DFT Studies","Journal of the American Chemical Society","2009","131","","7633","7640","10.1021/ja901140v","","","0.71073","MoKα","","0.0466","0.0403","","","0.0912","0.0953","","","","","","1.101","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104498","43.193","0.003","11.8637","0.0009","20.2109","0.0015","90","","108.446","0.001","90","","9824.5","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H66 N2 O3 W -","- C57 H65.9994 N2 O3 W -","- C456 H527.995 N16 O24 W8 -","8","1","","Annie J. Jiang; Jeffrey H. Simpson; Peter Müller; Richard R. Schrock","Fundamental Studies of Tungsten Alkylidene Imido Monoalkoxidepyrrolide Complexes","Journal of the American Chemical Society","2009","131","","7770","7780","10.1021/ja9012694","","","0.71073","MoKα","","0.039","0.0303","","","0.0667","0.07","","","","","","1.189","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104499","11.3574","0.0008","14.0541","0.001","14.9825","0.0011","81.242","0.001","81.323","0.001","80.748","0.001","2313.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H58 N2 O W -","- C57 H58 N2 O W -","- C114 H116 N4 O2 W2 -","2","1","","Annie J. Jiang; Jeffrey H. Simpson; Peter Müller; Richard R. Schrock","Fundamental Studies of Tungsten Alkylidene Imido Monoalkoxidepyrrolide Complexes","Journal of the American Chemical Society","2009","131","","7770","7780","10.1021/ja9012694","","","0.71073","MoKα","","0.0258","0.0228","","","0.0593","0.0612","","","","","","1.092","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104500","11.0794","0.0007","12.0146","0.0008","17.5559","0.0011","93.976","0.001","99.307","0.001","103.313","0.001","2230.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H57 N2 O P W -","- C52 H57 N2 O P W -","- C104 H114 N4 O2 P2 W2 -","2","1","","Annie J. Jiang; Jeffrey H. Simpson; Peter Müller; Richard R. Schrock","Fundamental Studies of Tungsten Alkylidene Imido Monoalkoxidepyrrolide Complexes","Journal of the American Chemical Society","2009","131","","7770","7780","10.1021/ja9012694","","","0.71073","MoKα","","0.0265","0.0231","","","0.0537","0.0555","","","","","","1.071","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104501","10.45","0.0003","33.847","0.001","12.9622","0.0004","90","","97.02","0.002","90","","4550.4","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H64 Br2 N2 O2 Si W -","- C47 H64 Br2 N2 O2 Si W -","- C188 H256 Br8 N8 O8 Si4 W4 -","4","2","","Annie J. Jiang; Jeffrey H. Simpson; Peter Müller; Richard R. Schrock","Fundamental Studies of Tungsten Alkylidene Imido Monoalkoxidepyrrolide Complexes","Journal of the American Chemical Society","2009","131","","7770","7780","10.1021/ja9012694","","","1.54178","CuKα","","0.0261","0.0255","","","0.0615","0.0618","","","","","","1.032","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104502","19.164","0.002","8.0863","0.0011","18.0847","0.0012","90","","98.937","0.008","90","","2768.5","0.5","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 O4 P Ru -","- C30 H31 O4 P Ru -","- C120 H124 O16 P4 Ru4 -","4","1","","Rémi Martinez; Marc-Olivier Simon; Reynald Chevalier; Cyrielle Pautigny; Jean-Pierre Genet; Sylvain Darses","C-C Bond Formation via C-H Bond Activation Using an in Situ-Generated Ruthenium Catalyst","Journal of the American Chemical Society","2009","131","","7887","7895","10.1021/ja9017489","","","0.71073","MoKα","","0.0885","0.0365","","","0.0715","0.0854","","","","","","0.996","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104503","9.9136","0.0007","15.4103","0.0012","16.3476","0.0012","90","","90","","90","","2497.4","0.3","243","2","243","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Phenazine)Mo(PMe3)3","","","- C21 H35 Mo N2 P3 -","- C21 H35 Mo N2 P3 -","- C84 H140 Mo4 N8 P12 -","4","1","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0195","0.0183","","","0.0482","0.0488","","","","","","1.031","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104504","14.5169","0.001","9.0962","0.0006","16.3795","0.0011","90","","115.463","0.001","90","","1952.8","0.2","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H62 Mo2 N2 P6 -","- C30 H62 Mo2 N2 P6 -","- C60 H124 Mo4 N4 P12 -","2","0.5","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.1025","0.0465","","","0.072","0.0858","","","","","","1.002","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104505","18.174","0.0016","9.4426","0.0008","26.621","0.002","90","","97.48","0.001","90","","4529.5","0.6","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H88 Mo2 N2 P6 -","- C30 H64 Mo2 N2 P6 -","- C120 H256 Mo8 N8 P24 -","4","1","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0588","0.0374","","","0.0801","0.0852","","","","","","1.03","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104506","9.7998","0.0005","17.8776","0.0009","16.1462","0.0009","90","","100.422","0.001","90","","2782.1","0.3","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H44 Mo N P3 -","- C22 H38 Mo N P3 -","- C88 H152 Mo4 N4 P12 -","4","1","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0424","0.0348","","","0.0804","0.0829","","","","","","1.066","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104507","10.1768","0.0007","14.814","0.001","16.9546","0.0011","90","","103.315","0.001","90","","2487.4","0.3","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H39 Mo P3 -","- C23 H39 Mo P3 -","- C92 H156 Mo4 P12 -","4","1","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0652","0.0367","","","0.0706","0.0791","","","","","","1.002","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104508","13.4843","0.0009","14.0854","0.001","15.9116","0.0011","76.577","0.001","70.985","0.001","79.895","0.001","2762.7","0.3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Mo N4 P2 -","- C30 H34 Mo N4 P2 -","- C120 H136 Mo4 N16 P8 -","4","2","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0668","0.0378","","","0.0879","0.1007","","","","","","1.005","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104509","9.2889","0.0005","11.5097","0.0006","23.4023","0.0013","90","","101.214","0.001","90","","2454.2","0.2","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H37 Mo N2 P3 -","- C21 H37 Mo N2 P3 -","- C84 H148 Mo4 N8 P12 -","4","1","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0406","0.031","","","0.0622","0.0665","","","","","","1.064","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104510","13.4943","0.0011","13.9119","0.0011","23.1706","0.0019","90","","97.263","0.001","90","","4314.9","0.6","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H35 Mo N2 P3 -","- C17 H35 Mo N2 P3 -","- C136 H280 Mo8 N16 P24 -","8","2","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0306","0.0251","","","0.0633","0.0669","","","","","","1.044","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104511","12.5971","0.0007","5.4794","0.0003","12.694","0.0007","90","","96.503","0.001","90","","870.56","0.08","125","2","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C52 H40 N4 -","2","0.5","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0575","0.0434","","","0.1137","0.1248","","","","","","1.026","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104512","6.6527","0.0007","10.892","0.0011","11.9177","0.0019","107.8","0.007","95.428","0.007","107.102","0.005","769.56","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H8 Cl O5 P W -","- C11 H8 Cl O5 P W -","- C22 H16 Cl2 O10 P2 W2 -","2","1","","Matthew P. Duffy; François Mathey","Generation and Trapping of a Terminal Chlorophosphinidene Complex","Journal of the American Chemical Society","2009","131","","7534","7535","10.1021/ja901918e","","","0.71073","MoKα","","0.021","0.0167","","","0.0394","0.0428","","","","","","1.062","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104513","6.4957","0.0002","15.7482","0.0005","14.0945","0.0004","90","","98.028","0.001","90","","1427.68","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cl O5 P W -","- C11 H10 Cl O5 P W -","- C44 H40 Cl4 O20 P4 W4 -","4","1","","Matthew P. Duffy; François Mathey","Generation and Trapping of a Terminal Chlorophosphinidene Complex","Journal of the American Chemical Society","2009","131","","7534","7535","10.1021/ja901918e","","","0.71073","MoKα","","0.0224","0.018","","","0.0565","0.0803","","","","","","1.355","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104514","7.0477","0.0009","9.0172","0.0012","17.499","0.002","103.527","0.002","94.33","0.002","95.501","0.002","1070.7","0.2","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N4 O5 -","- C22 H26 N4 O5 -","- C44 H52 N8 O10 -","2","1","","David J. Hardee; Tristan H. Lambert","Lanthanum(III) Triflate-Catalyzed Cyclopropanation via Intramolecular Methylene Transfer","Journal of the American Chemical Society","2009","131","","7536","7537","10.1021/ja902137z","","","0.71073","MoKα","","0.1095","0.052","","","0.1093","0.1306","","","","","","1.001","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104515","22.1783","0.0014","9.4339","0.0006","10.8391","0.0007","90","","98.663","0.001","90","","2242","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Cl2 N O8 S -","- C18 H25 Cl2 N O8 S -","- C72 H100 Cl8 N4 O32 S4 -","4","1","","D. Karl Bedke; Grant M. Shibuya; Alban Pereira; William H. Gerwick; Thomas H. Haines; Christopher D. Vanderwal","Relative Stereochemistry Determination and Synthesis of the Major Chlorosulfolipid from Ochromonas danica","Journal of the American Chemical Society","2009","131","","7570","7572","10.1021/ja902138w","","","0.71073","MoKα","","0.0327","0.028","","","0.0727","0.0763","","","","","","1.043","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104516","10.8038","0.001","23.985","0.002","8.7832","0.0008","90","","102.021","0.001","90","","2226.1","0.3","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frojm03","","","- C28 H26 O6 -","- C28 H26 O6 -","- C112 H104 O24 -","4","1","","John A. Malona; Kevin Cariou; Alison J. Frontier","Nazarov Cyclization Initiated by Peracid Oxidation: The Total Synthesis of (\±)-Rocaglamide","Journal of the American Chemical Society","2009","131","","7560","7561","10.1021/ja9029736","","","0.71073","MoKα","","0.0731","0.0452","","","0.1044","0.1189","","","","","","1.021","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104517","9.0885","0.0014","9.8939","0.0015","14.454","0.002","85.558","0.003","79.432","0.003","77.598","0.003","1246.9","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","frojm09","","","- C27 H21 F3 O9 S -","- C27 H21 F3 O9 S -","- C54 H42 F6 O18 S2 -","2","1","","John A. Malona; Kevin Cariou; Alison J. Frontier","Nazarov Cyclization Initiated by Peracid Oxidation: The Total Synthesis of (\±)-Rocaglamide","Journal of the American Chemical Society","2009","131","","7560","7561","10.1021/ja9029736","","","0.71073","MoKα","","0.1319","0.0583","","","0.1123","0.1494","","","","","","0.96","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104518","24.6511","0.0009","15.6914","0.0004","24.5387","0.0008","90","","114.28","0.002","90","","8652.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H64 N4 O Si -","- C46.5 H64 N4 O Si -","- C372 H512 N32 O8 Si8 -","8","1","","Yun Xiong; Shenglai Yao; Matthias Driess","An Isolable NHC-Supported Silanone","Journal of the American Chemical Society","2009","131","","7562","7563","10.1021/ja9031049","","","0.71073","MoKα","","0.076","0.049","","","0.117","0.1271","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104519","12.5248","0.0007","16.5902","0.0007","17.3318","0.0008","90","","105.545","0.005","90","","3469.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 N4 Si -","- C36 H52 N4 Si -","- C144 H208 N16 Si4 -","4","1","","Yun Xiong; Shenglai Yao; Matthias Driess","An Isolable NHC-Supported Silanone","Journal of the American Chemical Society","2009","131","","7562","7563","10.1021/ja9031049","","","0.71073","MoKα","","0.1972","0.0699","","","0.07","0.0939","","","","","","0.936","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104520","14.549","0.003","14.689","0.003","20.017","0.004","90","","97.19","0.03","90","","4244.2","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 Br2 P2 Pd2 -","- C40 H68 Br2 P2 Pd2 -","- C160 H272 Br8 P8 Pd8 -","4","1","","Fabiola Barrios-Landeros; Brad P. Carrow; John F. Hartwig","Effect of Ligand Steric Properties and Halide Identity on the Mechanism for Oxidative Addition of Haloarenes to Trialkylphosphine Pd(0) Complexes","Journal of the American Chemical Society","2009","131","","8141","8154","10.1021/ja900798s","","","0.71073","MoKα","","0.1119","0.0419","","","0.0677","0.0827","","","","","","0.914","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104521","15.251","0.003","14.575","0.003","20.401","0.004","90","","90.64","0.03","90","","4534.5","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H76 Cl2 P2 Pd2 -","- C48 H76 Cl2 P2 Pd2 -","- C192 H304 Cl8 P8 Pd8 -","4","1","","Fabiola Barrios-Landeros; Brad P. Carrow; John F. Hartwig","Effect of Ligand Steric Properties and Halide Identity on the Mechanism for Oxidative Addition of Haloarenes to Trialkylphosphine Pd(0) Complexes","Journal of the American Chemical Society","2009","131","","8141","8154","10.1021/ja900798s","","","0.71073","MoKα","","0.06","0.0386","","","0.0954","0.1042","","","","","","1.006","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104522","8.29","0.0017","24.948","0.005","10.626","0.002","90","","106.86","0.03","90","","2103.2","0.8","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H62 Cl2 F6 P2 Pd2 -","- C38 H61 Cl2 F6 P2 Pd2 -","- C76 H122 Cl4 F12 P4 Pd4 -","2","1","","Fabiola Barrios-Landeros; Brad P. Carrow; John F. Hartwig","Effect of Ligand Steric Properties and Halide Identity on the Mechanism for Oxidative Addition of Haloarenes to Trialkylphosphine Pd(0) Complexes","Journal of the American Chemical Society","2009","131","","8141","8154","10.1021/ja900798s","","","0.71073","MoKα","","0.0514","0.0427","","","0.1089","0.1146","","","","","","1.015","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104523","8.7256","0.0003","10.1686","0.0004","15.1679","0.0005","74.382","0.002","81.966","0.002","84.065","0.002","1280.34","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H16 F9 N -","- C30 H16 F9 N -","- C60 H32 F18 N2 -","2","1","","Jong Won Chung; Youngmin You; Hyun Sue Huh; Byeong-Kwan An; Seong-Jun Yoon; Se Hun Kim; Soon W. Lee; Soo Young Park","Shear- and UV-Induced Fluorescence Switching in Stilbenic π-Dimer Crystals Powered by Reversible [2 + 2] Cycloaddition","Journal of the American Chemical Society","2009","131","","8163","8172","10.1021/ja900803d","","","0.71073","MoKα","","0.1278","0.1131","","","0.3149","0.3312","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104524","8.626","0.0016","10.283","0.002","15.342","0.004","75.91","0.02","79.12","0.02","82.83","0.017","1291.7","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H16 F9 N -","- C30 H16 F9 N -","- C60 H32 F18 N2 -","2","1","","Jong Won Chung; Youngmin You; Hyun Sue Huh; Byeong-Kwan An; Seong-Jun Yoon; Se Hun Kim; Soon W. Lee; Soo Young Park","Shear- and UV-Induced Fluorescence Switching in Stilbenic π-Dimer Crystals Powered by Reversible [2 + 2] Cycloaddition","Journal of the American Chemical Society","2009","131","","8163","8172","10.1021/ja900803d","","","0.71073","MoKα","","0.1299","0.1053","","","0.3167","0.3499","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104525","7.4886","0.0009","7.9502","0.001","11.2672","0.0014","90","","91.095","0.002","90","","670.68","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C28 H26 N2 O10 -","2","1","","Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson","Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights","Journal of the American Chemical Society","2009","131","","8196","8210","10.1021/ja9009875","","","0.71073","MoKα","","0.0315","0.0293","","","0.0771","0.0784","","","","","","1.046","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104526","9.3099","0.0013","12.519","0.002","12.858","0.002","63.488","0.002","83.907","0.002","81.996","0.002","1326.3","0.3","150","2","150","2","","","","","","","","3","P 1","P 1","1","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","4","","Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson","Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights","Journal of the American Chemical Society","2009","131","","8196","8210","10.1021/ja9009875","","","0.71073","MoKα","","0.0682","0.0493","","","0.1189","0.1285","","","","","","1.002","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104527","6.1361","0.0009","20.097","0.003","25.013","0.004","90","","91.633","0.002","90","","3083.3","0.8","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 N O2 Si -","- C16 H21 N O2 Si -","- C128 H168 N8 O16 Si8 -","8","4","","Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson","Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights","Journal of the American Chemical Society","2009","131","","8196","8210","10.1021/ja9009875","","","0.71073","MoKα","","0.0772","0.0607","","","0.1445","0.1523","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4104528","11.071","0.0012","6.1798","0.0007","24.568","0.003","90","","102.43","0.002","90","","1641.5","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 Si -","- C17 H23 N O2 Si -","- C68 H92 N4 O8 Si4 -","4","2","","Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson","Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights","Journal of the American Chemical Society","2009","131","","8196","8210","10.1021/ja9009875","","","0.6892","synchrotron","","0.06","0.0534","","","0.1167","0.1191","","","","","","0.935","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4104529","6.293","0.002","11.15","0.004","25.494","0.008","90","","90","","90","","1788.8","1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O S Si -","- C17 H23 N O S Si -","- C68 H92 N4 O4 S4 Si4 -","4","1","","Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson","Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights","Journal of the American Chemical Society","2009","131","","8196","8210","10.1021/ja9009875","","","0.71073","MoKα","","0.0765","0.0436","","","0.0813","0.0883","","","","","","0.93","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4104530","9.2218","0.0018","11.407","0.002","15.182","0.003","88.63","0.03","73.5","0.03","84.78","0.03","1524.9","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H32 O11 -","- C35 H32 O11 -","- C70 H64 O22 -","2","1","","Yu Feng; Zi-Tong Liu; Ji Liu; Yan-Mei He; Qi-Yu Zheng; Qing-Hua Fan","Peripherally Dimethyl Isophthalate-Functionalized Poly(benzyl ether) Dendrons: A New Kind of Unprecedented Highly Efficient Organogelators","Journal of the American Chemical Society","2009","131","","7950","7951","10.1021/ja901501j","","","0.71073","MoKα","","0.1255","0.0816","","","0.1341","0.1467","","","","","","1.214","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104531","13.4328","0.0003","14.2892","0.0002","22.198","0.0004","90","","105.729","0.003","90","","4101.23","0.14","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H39 B2 Fe3 N20 O7 -","- C28 H34 B2 Fe3 N20 O7 -","- C112 H136 B8 Fe12 N80 O28 -","4","1","","Yan-Juan Zhang; Tao Liu; Shinji Kanegawa; Osamu Sato","Reversible Single-Crystal-to-Single-Crystal Transformation from Achiral Antiferromagnetic Hexanuclears to a Chiral Ferrimagnetic Double Zigzag Chain","Journal of the American Chemical Society","2009","131","","7942","7943","10.1021/ja901539y","","","0.71073","MoKα","","0.1221","0.0798","","","0.1571","0.1718","","","","","","1.105","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104532","21.9803","0.0003","14.3748","0.0002","13.3242","0.0002","90","","120.32","0.005","90","","3634.1","0.2","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 B2 Fe3 N18 O -","- C24 H18 B2 Fe3 N18 O -","- C96 H72 B8 Fe12 N72 O4 -","4","1","","Yan-Juan Zhang; Tao Liu; Shinji Kanegawa; Osamu Sato","Reversible Single-Crystal-to-Single-Crystal Transformation from Achiral Antiferromagnetic Hexanuclears to a Chiral Ferrimagnetic Double Zigzag Chain","Journal of the American Chemical Society","2009","131","","7942","7943","10.1021/ja901539y","","","0.71073","MoKα","","0.1611","0.1218","","","0.29","0.3389","","","","","","1.168","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104533","14.4533","0.0009","14.4533","0.0009","14.4533","0.0009","112.201","0.001","112.201","0.001","112.201","0.001","2056.1","0.2","163","2","163","2","","","","","","","","5","R 3 c :R","P 3* -2n","161","","","","- C9 H6 Fe2 O7 S2 -","- C9 H6 Fe2 O7 S2 -","- C54 H36 Fe12 O42 S12 -","6","1","","Tianbiao Liu; Bin Li; Michael L. Singleton; Michael B. Hall; Marcetta Y. Darensbourg","Sulfur Oxygenates of Biomimetics of the Diiron Subsite of the [FeFe]-Hydrogenase Active Site: Properties and Oxygen Damage Repair Possibilities","Journal of the American Chemical Society","2009","131","","8296","8307","10.1021/ja9016528","","","0.71073","MoKα","","0.0452","0.0434","","","0.1076","0.1097","","","","","","1.078","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104534","9.028","0.002","11.105","0.002","14.688","0.003","94.528","0.012","90.33","0.012","110.374","0.01","1375.3","0.5","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Fe2 O7 P S2 -","- C26 H21 Fe2 O7 P S2 -","- C52 H42 Fe4 O14 P2 S4 -","2","1","","Tianbiao Liu; Bin Li; Michael L. Singleton; Michael B. Hall; Marcetta Y. Darensbourg","Sulfur Oxygenates of Biomimetics of the Diiron Subsite of the [FeFe]-Hydrogenase Active Site: Properties and Oxygen Damage Repair Possibilities","Journal of the American Chemical Society","2009","131","","8296","8307","10.1021/ja9016528","","","1.54178","CuKα","","0.0767","0.0503","","","0.1039","0.1116","","","","","","0.906","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104535","9.2023","0.0012","10.1762","0.0013","14.772","0.002","95.35","0.007","94.305","0.007","107.375","0.006","1306.7","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Fe2 O6 P S2 -","- C26 H21 Fe2 O6 P S2 -","- C52 H42 Fe4 O12 P2 S4 -","2","1","","Tianbiao Liu; Bin Li; Michael L. Singleton; Michael B. Hall; Marcetta Y. Darensbourg","Sulfur Oxygenates of Biomimetics of the Diiron Subsite of the [FeFe]-Hydrogenase Active Site: Properties and Oxygen Damage Repair Possibilities","Journal of the American Chemical Society","2009","131","","8296","8307","10.1021/ja9016528","","","1.54178","CuKα","","0.103","0.067","","","0.1587","0.1755","","","","","","0.914","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104536","20.59","0.002","9.4714","0.001","22.335","0.002","90","","104.732","0.005","90","","4212.5","0.7","106","2","106","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H25 Fe2 O5.5 P2 S2 -","- C13 H25 Fe2 O5.5 P2 S2 -","- C104 H200 Fe16 O44 P16 S16 -","8","2","","Tianbiao Liu; Bin Li; Michael L. Singleton; Michael B. Hall; Marcetta Y. Darensbourg","Sulfur Oxygenates of Biomimetics of the Diiron Subsite of the [FeFe]-Hydrogenase Active Site: Properties and Oxygen Damage Repair Possibilities","Journal of the American Chemical Society","2009","131","","8296","8307","10.1021/ja9016528","","","1.54178","CuKα","","0.0931","0.0589","","","0.1302","0.1493","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104537","8.392","0.004","12.651","0.006","12.692","0.006","88.196","0.008","78.502","0.008","77.183","0.008","1287.4","1.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H26 Cl2 Fe Na0 O6 P2 -","- C22 H26 Cl2 Fe O6 P2 -","- C44 H52 Cl4 Fe2 O12 P4 -","2","1","","Tianbiao Liu; Bin Li; Michael L. Singleton; Michael B. Hall; Marcetta Y. Darensbourg","Sulfur Oxygenates of Biomimetics of the Diiron Subsite of the [FeFe]-Hydrogenase Active Site: Properties and Oxygen Damage Repair Possibilities","Journal of the American Chemical Society","2009","131","","8296","8307","10.1021/ja9016528","","","0.71073","MoKα","","0.062","0.0464","","","0.1151","0.1248","","","","","","1.036","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104538","13.3637","0.0004","13.3637","0.0004","9.5954","0.0007","90","","90","","90","","1713.63","0.14","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C44 H27 Fe N5 O -","- C44 H27 Fe N5 O -","- C88 H54 Fe2 N10 O2 -","2","0.125","","Wei-Min Ching; Chuan-Hung Chuang; Chih-Wei Wu; Chih-Hsiung Peng; Chen-Hsiung Hung","Facile Nitrite Reduction and Conversion Cycle of {Fe(NO)}6/7 Species: Chemistry of Iron N-Confused Porphyrin Complexes via Protonation/Deprotonation","Journal of the American Chemical Society","2009","131","","7952","7953","10.1021/ja901796j","","","0.71073","MoKα","","0.1219","0.0589","","","0.1518","0.17","","","","","","1.037","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104539","15.8963","0.0005","9.6917","0.0003","22.5515","0.0007","90","","98.775","0.002","90","","3433.67","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H28 Cl Fe N5 O5 -","- C44 H28 Cl Fe N5 O5 -","- C176 H112 Cl4 Fe4 N20 O20 -","4","1","","Wei-Min Ching; Chuan-Hung Chuang; Chih-Wei Wu; Chih-Hsiung Peng; Chen-Hsiung Hung","Facile Nitrite Reduction and Conversion Cycle of {Fe(NO)}6/7 Species: Chemistry of Iron N-Confused Porphyrin Complexes via Protonation/Deprotonation","Journal of the American Chemical Society","2009","131","","7952","7953","10.1021/ja901796j","","","0.71073","MoKα","","0.0818","0.0501","","","0.1276","0.1492","","","","","","1.04","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104540","13.3762","0.0017","13.3762","0.0017","9.656","0.003","90","","90","","90","","1727.7","0.6","200","2","200","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C44 H28 Fe N5 O -","- C44 H28 Fe N5 O1.04 -","- C88 H56 Fe2 N10 O2.08 -","2","0.125","","Wei-Min Ching; Chuan-Hung Chuang; Chih-Wei Wu; Chih-Hsiung Peng; Chen-Hsiung Hung","Facile Nitrite Reduction and Conversion Cycle of {Fe(NO)}6/7 Species: Chemistry of Iron N-Confused Porphyrin Complexes via Protonation/Deprotonation","Journal of the American Chemical Society","2009","131","","7952","7953","10.1021/ja901796j","","","0.71073","MoKα","","0.0803","0.0496","","","0.1211","0.1321","","","","","","1.152","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104541","8.702","0.002","12.33","0.003","23.758","0.006","92.188","0.004","91.229","0.004","101.656","0.004","2493.6","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H76 N2 O W -","- C55 H76 N2 O W -","- C110 H152 N4 O2 W2 -","2","1","","Margaret M. Flook; Annie J. Jiang; Richard R. Schrock; Amir H. Hoveyda","Z-Selective Olefin Metathesis Processes Catalyzed by a Molybdenum Hexaisopropylterphenoxide Monopyrrolide Complex","Journal of the American Chemical Society","2009","131","","7962","7963","10.1021/ja902738u","","","0.71073","MoKα","","0.0822","0.0672","","","0.1587","0.1684","","","","","","1.025","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104542","17.131","0.003","13.08","0.002","13.497","0.002","90","","107.38","0.002","90","","2886.2","0.8","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 Fe N4 O2 -","- C29 H41 Fe N4 O2 -","- C116 H164 Fe4 N16 O8 -","4","1","","Zachary J. Tonzetich; Loi H. Do; Stephen J. Lippard","Dinitrosyl Iron Complexes Relevant to Rieske Cluster Nitrosylation","Journal of the American Chemical Society","2009","131","","7964","7965","10.1021/ja9030159","","","0.71073","MoKα","","0.0482","0.041","","","0.1092","0.1137","","","","","","1.044","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104543","10.7691","0.0011","19.3","0.002","27.719","0.003","90","","91.406","0.002","90","","5759.5","1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H71 Fe N5 O2 P2 -","- C65 H71 Fe N5 O2 P2 -","- C260 H284 Fe4 N20 O8 P8 -","4","1","","Zachary J. Tonzetich; Loi H. Do; Stephen J. Lippard","Dinitrosyl Iron Complexes Relevant to Rieske Cluster Nitrosylation","Journal of the American Chemical Society","2009","131","","7964","7965","10.1021/ja9030159","","","0.71073","MoKα","","0.0872","0.0698","","","0.1881","0.2063","","","","","","1.121","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104544","6.1776","0.0007","10.4112","0.0012","18.857","0.002","90","","92.794","0.003","90","","1211.4","0.2","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H41 N O4 -","- C23 H41 N O4 -","- C46 H82 N2 O8 -","2","1","","Michael H. Kerrigan; Sang-Jin Jeon; Young K. Chen; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","One-Pot Multicomponent Coupling Methods for the Synthesis of Diastereo- and Enantioenriched (Z)-Trisubstituted Allylic Alcohols","Journal of the American Chemical Society","2009","131","","8434","8445","10.1021/ja809821x","","","0.71069","MoKα","","0.0639","0.0342","","","0.0661","0.0787","","","","","","0.909","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104545","10.7389","0.0004","20.9329","0.0007","20.7871","0.0007","90","","90","","90","","4672.9","0.3","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C44 H30 Ag2 B2 F10 N10 O8 -","- C44 H30 Ag2 B2 F10 N10 O8 -","- C176 H120 Ag8 B8 F40 N40 O32 -","4","0.5","","Ming-Liang Ma; Xiao-Yan Li; Ke Wen","Coordination-Driven Self-Assembly of a Discrete Molecular Cage and an Infinite Chain of Coordination Cages Based on ortho-Linked Oxacalix[2]benzene[2]pyrazine and Oxacalix[2]arene[2]pyrazine","Journal of the American Chemical Society","2009","131","","8338","8339","10.1021/ja900291w","","","0.71073","MoKα","","0.0402","0.0395","","","0.1166","0.1175","","","","","","1.094","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104546","12.6692","0.0003","21.3336","0.0005","7.9208","0.0002","90","","90","","90","","2140.83","0.09","173","2","173","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C11.75 H7.75 Ag0.25 B0.25 F1.25 N2 O2 -","- C11.75 H7.75 Ag0.25 B0.25 F1.25 N2 O2 -","- C94 H62 Ag2 B2 F10 N16 O16 -","8","1","","Ming-Liang Ma; Xiao-Yan Li; Ke Wen","Coordination-Driven Self-Assembly of a Discrete Molecular Cage and an Infinite Chain of Coordination Cages Based on ortho-Linked Oxacalix[2]benzene[2]pyrazine and Oxacalix[2]arene[2]pyrazine","Journal of the American Chemical Society","2009","131","","8338","8339","10.1021/ja900291w","","","0.71073","MoKα","","0.0446","0.0424","","","0.112","0.116","","","","","","1.091","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104547","9.6049","0.0019","9.6051","0.0019","19.251","0.004","82.72","0.03","82.65","0.03","88.48","0.03","1747.1","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H40 Cl2 Fe N6 O3 S2 -","- C35 H40 Cl2 Fe N6 O3 S2 -","- C70 H80 Cl4 Fe2 N12 O6 S4 -","2","1","","Michael J. Rose; Nolan M. Betterley; Pradip K. Mascharak","Thiolate S-Oxygenation Controls Nitric Oxide (NO) Photolability of a Synthetic Iron Nitrile Hydratase (Fe-NHase) Model Derived from Mixed Carboxamide/Thiolate Ligand","Journal of the American Chemical Society","2009","131","","8340","8341","10.1021/ja9004656","","","0.7749","synchrotron","","0.0974","0.0772","","","0.2048","0.2233","","","","","","1.062","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104548","13.4564","0.0014","18.4","0.002","18.93","0.002","86.35","0.001","79.84","0.001","79.015","0.001","4526.8","0.8","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H56.5 Cl2 Fe N5.5 O3.5 S2 -","- C42 H51.5 Cl2 Fe N5.5 O3.5 S2 -","- C168 H206 Cl8 Fe4 N22 O14 S8 -","4","2","","Michael J. Rose; Nolan M. Betterley; Pradip K. Mascharak","Thiolate S-Oxygenation Controls Nitric Oxide (NO) Photolability of a Synthetic Iron Nitrile Hydratase (Fe-NHase) Model Derived from Mixed Carboxamide/Thiolate Ligand","Journal of the American Chemical Society","2009","131","","8340","8341","10.1021/ja9004656","","","0.71073","MoKα","","0.0958","0.0613","","","0.1693","0.1886","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104549","9.1259","0.0018","11.164","0.002","19.548","0.004","90","","90","","90","","1991.6","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C96 H92 N4 O12 -","4","1","","Marino J. E. Resendiz; Farnosh Family; Kerrian Fuller; Luis M. Campos; Saeed I. Khan; Natalia V. Lebedeva; Malcolm D. E. Forbes; Miguel A. Garcia-Garibay","Radical Reactions with Double Memory of Chirality (2MOC) for the Enantiospecific Synthesis of Adjacent Stereogenic Quaternary Centers in Solution: Cleavage and Bonding Faster than Radical Rotation","Journal of the American Chemical Society","2009","131","","8425","8433","10.1021/ja900781n","","","0.71073","MoKα","","0.0554","0.0405","","","0.0835","0.0911","","","","","","1.037","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104550","6.8604","0.0013","6.8604","0.0013","40.242","0.011","90","","90","","90","","1894","0.7","110","2","110","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C23 H24 N2 O3 -","- C23 H24 N2 O3 -","- C92 H96 N8 O12 -","4","0.5","","Marino J. E. Resendiz; Farnosh Family; Kerrian Fuller; Luis M. Campos; Saeed I. Khan; Natalia V. Lebedeva; Malcolm D. E. Forbes; Miguel A. Garcia-Garibay","Radical Reactions with Double Memory of Chirality (2MOC) for the Enantiospecific Synthesis of Adjacent Stereogenic Quaternary Centers in Solution: Cleavage and Bonding Faster than Radical Rotation","Journal of the American Chemical Society","2009","131","","8425","8433","10.1021/ja900781n","","","0.71073","MoKα","","0.0635","0.0591","","","0.1324","0.1339","","","","","","1.289","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104551","10.6231","0.0003","14.0223","0.0005","19.2344","0.0009","90","","90","","90","","2865.16","0.19","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 F3 N2 O5 S -","- C26 H41 F3 N2 O5 S -","- C104 H164 F12 N8 O20 S4 -","4","1","","Sebastian Würtz; Claudia Lohre; Roland Fröhlich; Klaus Bergander; Frank Glorius","IBiox[(-)-menthyl]: A Sterically Demanding Chiral NHC Ligand","Journal of the American Chemical Society","2009","131","","8344","8345","10.1021/ja901018g","","","1.54178","CuKα","","0.0704","0.0521","","","0.1114","0.1246","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104552","10.6661","0.0002","12.9006","0.0002","18.6675","0.0004","90","","90","","90","","2568.63","0.08","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 Ag Br N2 O2 -","- C25 H40 Ag Br N2 O2 -","- C100 H160 Ag4 Br4 N8 O8 -","4","1","","Sebastian Würtz; Claudia Lohre; Roland Fröhlich; Klaus Bergander; Frank Glorius","IBiox[(-)-menthyl]: A Sterically Demanding Chiral NHC Ligand","Journal of the American Chemical Society","2009","131","","8344","8345","10.1021/ja901018g","","","0.71073","MoKα","","0.079","0.0463","","","0.0695","0.0784","","","","","","1.057","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104553","5.4069","0.0009","9.6575","0.0016","15.955","0.003","102.987","0.003","95.655","0.003","100.24","0.003","790.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 Cl N -","- C16 H24 Cl N -","- C32 H48 Cl2 N2 -","2","1","","Hu He; Wen-Bo Liu; Li-Xin Dai; Shu-Li You","Ir-Catalyzed Cross-Coupling of Styrene Derivatives with Allylic Carbonates: Free Amine Assisted Vinyl C-H Bond Activation","Journal of the American Chemical Society","2009","131","","8346","8347","10.1021/ja901384j","","","0.71073","MoKα","","0.0698","0.0532","","","0.1336","0.1427","","","","","","0.947","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104554","11.872","0.005","12.634","0.006","16.656","0.007","101.4","0.008","99.906","0.008","90.172","0.009","2410.7","1.8","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.5 H26.5 Cl N Si -","- C26.5 H26.5 Cl N Si -","- C106 H106 Cl4 N4 Si4 -","4","2","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.164","0.0937","","","0.2858","0.3211","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104555","7.6874","0.0005","11.6176","0.0008","12.1282","0.0008","105.956","0.001","106.265","0.001","99.853","0.001","962.95","0.11","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N O Si -","- C21 H27 N O Si -","- C42 H54 N2 O2 Si2 -","2","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.0428","0.04","","","0.1138","0.1159","","","","","","1.042","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104556","9.5589","0.0009","12.4419","0.0011","12.473","0.0011","60.898","0.001","75.788","0.002","89.39","0.002","1246.1","0.2","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 F3 N O Si -","- C27 H28 F3 N O Si -","- C54 H56 F6 N2 O2 Si2 -","2","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKa","","0.0476","0.0424","","","0.1168","0.1206","","","","","","1.035","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104557","8.7034","0.0006","9.7875","0.0008","13.2568","0.0008","82.294","0.001","73.449","0.001","73.152","0.001","1034.39","0.13","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 N O2 Si -","- C22 H29 N O2 Si -","- C44 H58 N2 O4 Si2 -","2","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.0556","0.0491","","","0.1392","0.1437","","","","","","1.101","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104558","9.7654","0.0007","30.089","0.002","13.7152","0.001","90","","95.274","0.001","90","","4012.9","0.5","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Cl N O Si -","- C21 H26 Cl N O Si -","- C168 H208 Cl8 N8 O8 Si8 -","8","2","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.0738","0.0547","","","0.1561","0.1642","","","","","","0.988","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104559","8.922","0.003","15.574","0.005","18.579","0.006","94.703","0.005","96.798","0.006","99.74","0.006","2512.7","1.4","300","2","300","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H25 Cl F3 N O3 S Si -","- C22 H25 Cl F3 N O3 S Si -","- C88 H100 Cl4 F12 N4 O12 S4 Si4 -","4","2","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.0732","0.0561","","","0.1599","0.1703","","","","","","1.051","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104560","8.0586","0.0013","14.782","0.002","20.24","0.003","90","","90","","90","","2411","0.6","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 F3 N Si -","- C27 H26 F3 N Si -","- C108 H104 F12 N4 Si4 -","4","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.087","0.0746","","","0.2021","0.214","","","","","","1.057","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104561","17.8271","0.0014","14.2864","0.0011","20.0246","0.0016","90","","96.779","0.001","90","","5064.3","0.7","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N O2 S Si -","- C27 H29 N O2 S Si -","- C216 H232 N8 O16 S8 Si8 -","8","2","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.1135","0.0684","","","0.1787","0.196","","","","","","1.061","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104562","7.8753","0.0007","9.9812","0.0009","12.5882","0.0011","85.742","0.002","89.861","0.002","89.268","0.002","986.68","0.15","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 Si -","- C22 H24 N2 Si -","- C44 H48 N4 Si2 -","2","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.0745","0.0599","","","0.1836","0.196","","","","","","1.08","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104563","17.16","0.002","15.249","0.002","7.5538","0.001","90","","90","","90","","1976.6","0.4","300","2","300","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H24 Cl N Si -","- C21 H24 Cl N Si -","- C84 H96 Cl4 N4 Si4 -","4","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.0489","0.0438","","","0.1156","0.1202","","","","","","1.039","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104564","11.9398","0.0008","10.6673","0.0007","15.4012","0.0011","90","","90","","90","","1961.6","0.2","300","2","300","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H24 Cl N Si -","- C21 H24 Cl N Si -","- C84 H96 Cl4 N4 Si4 -","4","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.0475","0.043","","","0.1114","0.1156","","","","","","1.055","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104565","13.7439","0.0002","23.6882","0.0003","19.7743","0.0003","90","","99.337","0.001","90","","6352.59","0.16","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C55 H57 B Cl2 F24 Ir N O2 P2 -","- C55 H56 B Cl2 F24 Ir N O2 P2 -","- C220 H224 B4 Cl8 F96 Ir4 N4 O8 P8 -","4","1","","Wesley H. Bernskoetter; Susan Kloek Hanson; Sara K. Buzak; Zoe Davis; Peter S. White; Rodney Swartz; Karen I. Goldberg; Maurice Brookhart","Investigations of Iridium-Mediated Reversible C-H Bond Cleavage: Characterization of a 16-Electron Iridium(III) Methyl Hydride Complex","Journal of the American Chemical Society","2009","131","","8603","8613","10.1021/ja901706b","","","0.71073","MoKα","","0.0452","0.0373","","","0.0939","0.099","","","","","","1.027","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104566","8.3103","0.0004","10.6257","0.0008","17.3126","0.0014","92.182","0.006","98.874","0.006","110.226","0.002","1410.41","0.17","130","2","130","2","","","","","","","","6","P -1","-P 1","2","EJK-I-18","EJK-I-18","","- C27 H44 Ir N O2 P2 -","- C27 H44 Ir N O2 P2 -","- C54 H88 Ir2 N2 O4 P4 -","2","1","","Wesley H. Bernskoetter; Susan Kloek Hanson; Sara K. Buzak; Zoe Davis; Peter S. White; Rodney Swartz; Karen I. Goldberg; Maurice Brookhart","Investigations of Iridium-Mediated Reversible C-H Bond Cleavage: Characterization of a 16-Electron Iridium(III) Methyl Hydride Complex","Journal of the American Chemical Society","2009","131","","8603","8613","10.1021/ja901706b","","","0.71073","MoKα","","0.103","0.0782","","","0.1908","0.2107","","","","","","1.027","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104567","6.9209","0.0014","11.428","0.002","11.612","0.002","87.68","0.03","88.16","0.03","79.5","0.03","902","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- H6 K7 O35 Si12 Sm3 -","- K7 O35 Si12 Sm3 -","- K7 O35 Si12 Sm3 -","1","0.5","","Duarte Ananias; Mariya Kostova; Filipe A. Almeida Paz; Albano N. C. Neto; Renaldo T. De Moura; Oscar L. Malta; Luis D. Carlos; João Rocha","Molecule-Like Eu3±Dimers Embedded in an Extended System Exhibit Unique Photoluminescence Properties","Journal of the American Chemical Society","2009","131","","8620","8626","10.1021/ja901820z","","","0.71073","MoKα","","0.0425","0.0391","","","0.0969","0.0997","","","","","","1.008","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104568","6.9007","0.0003","11.43","0.0006","11.5835","0.0006","87.695","0.002","88.471","0.002","79.589","0.002","897.7","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- Eu3 H8 K7 O36 Si12 -","- Eu3 K7 O36 Si12 -","- Eu3 K7 O36 Si12 -","1","0.5","","Duarte Ananias; Mariya Kostova; Filipe A. Almeida Paz; Albano N. C. Neto; Renaldo T. De Moura; Oscar L. Malta; Luis D. Carlos; João Rocha","Molecule-Like Eu3±Dimers Embedded in an Extended System Exhibit Unique Photoluminescence Properties","Journal of the American Chemical Society","2009","131","","8620","8626","10.1021/ja901820z","","","0.71073","MoKα","","0.0339","0.0321","","","0.0749","0.0757","","","","","","1.196","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104569","10.606","0.0015","10.606","0.0015","5.159","0.001","90","","90","","90","","580.32","0.16","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ba Hg2 Tl2 -","- Ba Hg2 Tl2 -","- Ba4 Hg8 Tl8 -","4","0.25","","Jing-Cao Dai; Shalabh Gupta; Olivier Gourdon; Hyun-Jeong Kim; John D. Corbett","BaHg2Tl2. An Unusual Polar Intermetallic Phase with Strong Differentiation between the Neighboring Elements Mercury and Thallium","Journal of the American Chemical Society","2009","131","","8677","8682","10.1021/ja901865d","","","0.71073","MoKα","","0.058","0.0414","","","0.0772","0.0799","","","","","","1.005","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104570","10.5933","0.0006","10.5933","0.0006","5.1594","0.0003","90","","90","","90","","578.98","0.06","293","2","293","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ba Hg2 Tl2 -","- Ba Hg2 Tl2 -","- Ba4 Hg8 Tl8 -","4","0.25","","Jing-Cao Dai; Shalabh Gupta; Olivier Gourdon; Hyun-Jeong Kim; John D. Corbett","BaHg2Tl2. An Unusual Polar Intermetallic Phase with Strong Differentiation between the Neighboring Elements Mercury and Thallium","Journal of the American Chemical Society","2009","131","","8677","8682","10.1021/ja901865d","powder diffraction","neutron","","neutron","","0.1288","0.1263","","","0.1261","0.1262","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104571","17.78","0.003","17.78","0.003","33.531","0.007","90","","90","","120","","9180","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H90 N42 O12 Zn6 -","- C78 H90 N42 O12 Zn6 -","- C234 H270 N126 O36 Zn18 -","3","0.166667","","Jihyun An; Richard P. Fiorella; Steven J. Geib; Nathaniel L. Rosi","Synthesis, Structure, Assembly, and Modulation of the CO2 Adsorption Properties of a Zinc-Adeninate Macrocycle","Journal of the American Chemical Society","2009","131","","8401","8403","10.1021/ja901869m","","x-ray","0.71073","MoKα","","0.101","0.0716","","","0.2064","0.2233","","","","","","1.222","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104572","19.16","0.004","35.098","0.007","14.954","0.003","90","","108.7","0.03","90","","9525","4","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C87 H86 Cl2 N14 O25 -","- C87 H86 Cl1.9 N14 O24.93 -","- C348 H344 Cl7.6 N56 O99.72 -","4","1","","David Sánchez-García; Brice Kauffmann; Takahiro Kawanami; Hirotaka Ihara; Makoto Takafuji; Marie-Hélène Delville; Ivan Huc","Nanosized Hybrid Oligoamide Foldamers: Aromatic Templates for the Folding of Multiple Aliphatic Units","Journal of the American Chemical Society","2009","131","","8642","8648","10.1021/ja9019758","","","1.54178","CuKα","","0.1583","0.1498","","","0.4315","0.4463","","","","","","1.311","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104573","15.5104","0.0002","21.9149","0.0005","44.8309","0.0008","90","","98.432","0.001","90","","15073.7","0.5","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C146 H178 N20 O29 S6.5 -","- C146 H178 N20 O29 S6.375 -","- C584 H712 N80 O116 S25.5 -","4","1","","David Sánchez-García; Brice Kauffmann; Takahiro Kawanami; Hirotaka Ihara; Makoto Takafuji; Marie-Hélène Delville; Ivan Huc","Nanosized Hybrid Oligoamide Foldamers: Aromatic Templates for the Folding of Multiple Aliphatic Units","Journal of the American Chemical Society","2009","131","","8642","8648","10.1021/ja9019758","","","1.5418","CuKα","","0.1839","0.1479","","","0.3638","0.3927","","","","","","1.168","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104574","13.1809","0.0011","32.553","0.002","33.151","0.004","90","","91.912","0.007","90","","14216","2","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C151 H160 Cl0 N22 O26 -","- C151 H160 N22 O25.33 -","- C604 H640 N88 O101.32 -","4","1","","David Sánchez-García; Brice Kauffmann; Takahiro Kawanami; Hirotaka Ihara; Makoto Takafuji; Marie-Hélène Delville; Ivan Huc","Nanosized Hybrid Oligoamide Foldamers: Aromatic Templates for the Folding of Multiple Aliphatic Units","Journal of the American Chemical Society","2009","131","","8642","8648","10.1021/ja9019758","","","1.5418","CuKα","","0.1212","0.0977","","","0.2724","0.2967","","","","","","1.309","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104575","15.9229","0.0006","17.4859","0.0008","28.2835","0.0014","96.674","0.002","97.181","0.002","101.876","0.002","7563.7","0.6","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C160 H164 N24 O25.5 -","- C160 H164 N24 O25.68 -","- C320 H328 N48 O51.36 -","2","1","","David Sánchez-García; Brice Kauffmann; Takahiro Kawanami; Hirotaka Ihara; Makoto Takafuji; Marie-Hélène Delville; Ivan Huc","Nanosized Hybrid Oligoamide Foldamers: Aromatic Templates for the Folding of Multiple Aliphatic Units","Journal of the American Chemical Society","2009","131","","8642","8648","10.1021/ja9019758","","","1.5418","CuKα","","0.167","0.1407","","","0.3831","0.4045","","","","","","1.548","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104576","20.668","","24.598","","27.32","","79.04","","81.5","","79.64","","13320.5","","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C280 H303 N46 O47.5 S2 -","- C280 H303 N45 O47.5 S2 -","- C560 H606 N90 O95 S4 -","2","1","","David Sánchez-García; Brice Kauffmann; Takahiro Kawanami; Hirotaka Ihara; Makoto Takafuji; Marie-Hélène Delville; Ivan Huc","Nanosized Hybrid Oligoamide Foldamers: Aromatic Templates for the Folding of Multiple Aliphatic Units","Journal of the American Chemical Society","2009","131","","8642","8648","10.1021/ja9019758","","","0.8265","synchrotronradiaition","","0.1962","0.1842","","","0.4528","0.4677","","","","","","1.86","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104577","11.3839","0.0006","10.1664","0.0005","21.0984","0.0011","90","","101.554","0.002","90","","2392.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cyclic (Alkyl)(Amino)CarbeneAuCl","","","- C25 H37 Au Cl N -","- C25 H37 Au Cl N -","- C100 H148 Au4 Cl4 N4 -","4","1","","Xiaoming Zeng; Guido D. Frey; Rei Kinjo; Bruno Donnadieu; Guy Bertrand","Synthesis of a Simplified Version of Stable Bulky and Rigid Cyclic (Alkyl)(amino)carbenes, and Catalytic Activity of the Ensuing Gold(I) Complex in the Three-Component Preparation of 1,2-Dihydroquinoline Derivatives","Journal of the American Chemical Society","2009","131","","8690","8696","10.1021/ja902051m","","","0.71073","MoKα","","0.0391","0.0267","","","0.0518","0.0554","","","","","","1.026","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104578","9.7579","0.0017","12.115","0.002","14.384","0.003","90","","98.7","0.002","90","","1680.9","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-ethyl-1,2 dihydro-1-methyl-4-phenyl-2-propylquinoline","","","- C21 H24.5 N -","- C21 H24.5 N -","- C84 H98 N4 -","4","1","","Xiaoming Zeng; Guido D. Frey; Rei Kinjo; Bruno Donnadieu; Guy Bertrand","Synthesis of a Simplified Version of Stable Bulky and Rigid Cyclic (Alkyl)(amino)carbenes, and Catalytic Activity of the Ensuing Gold(I) Complex in the Three-Component Preparation of 1,2-Dihydroquinoline Derivatives","Journal of the American Chemical Society","2009","131","","8690","8696","10.1021/ja902051m","","","0.71073","MoKα","","0.082","0.066","","","0.1882","0.1997","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104579","12.4922","0.0007","7.4836","0.0003","18.1749","0.0007","90","","102.338","0.0014","90","","1659.87","0.13","173.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C16 H18 Cl F3 Ir N O -","- C16 H18 Cl F3 Ir N O -","- C64 H72 Cl4 F12 Ir4 N4 O4 -","4","1","","Ryohei Yamaguchi; Chikako Ikeda; Yoshinori Takahashi; Ken-ichi Fujita","Homogeneous Catalytic System for Reversible Dehydrogenation-Hydrogenation Reactions of Nitrogen Heterocycles with Reversible Interconversion of Catalytic Species","Journal of the American Chemical Society","2009","131","","8410","8412","10.1021/ja9022623","","","0.71075","MoKα","","","0.0369","","","","0.0446","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104580","38.156","0.008","11.041","0.002","14.632","0.003","90","","93.186","0.003","90","","6155","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H68 B2 Cl4 O12 S4 Si2 -","- C54 H68 B2 Cl4 O12 S4 Si2 -","- C216 H272 B8 Cl16 O48 S16 Si8 -","4","0.5","","Wenjun Liu; Maren Pink; Dongwhan Lee","Conjugated Polymer Sensors Built on π-Extended Borasiloxane Cages","Journal of the American Chemical Society","2009","131","","8703","8707","10.1021/ja902333p","","","0.71073","MoKα","","0.0791","0.0619","","","0.1756","0.1892","","","","","","1.081","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4104581","38.237","0.002","38.237","0.002","11.1753","0.0012","90","","90","","90","","16339","2","203","2","273","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","bio-MOF-1","","","- C104 H64 N20 O25 Zn8 -","- C104 H64 N20 O25 Zn8 -","- C416 H256 N80 O100 Zn32 -","4","0.25","","Jihyun An; Steven J. Geib; Nathaniel L. Rosi","Cation-Triggered Drug Release from a Porous Zinc-Adeninate Metal-Organic Framework","Journal of the American Chemical Society","2009","131","","8376","8377","10.1021/ja902972w","","","0.71073","MoKα","","0.1267","0.094","","","0.2376","0.2501","","","","","","1.528","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104582","7.478","0.0003","15.0069","0.0005","24.6083","0.0009","90","","90","","90","","2761.58","0.18","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 O3 Si2 -","- C25 H42 O3 Si2 -","- C100 H168 O12 Si8 -","4","1","","Amir H. Hoveyda; Pamela J. Lombardi; Robert V. O'Brien,; Adil R. Zhugralin","H-Bonding as a Control Element in Stereoselective Ru-Catalyzed Olefin Metathesis","Journal of the American Chemical Society","2009","131","","8378","8379","10.1021/ja9030903","","","","","","","","","","","","","","","","","","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104583","10.8793","0.0019","17.55","0.003","11.456","0.002","90","","100.646","0.002","90","","2149.7","0.6","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O2 S -","- C25 H29 N2 O2 S -","- C100 H116 N8 O8 S4 -","4","2","","Amir H. Hoveyda; Pamela J. Lombardi; Robert V. O'Brien,; Adil R. Zhugralin","H-Bonding as a Control Element in Stereoselective Ru-Catalyzed Olefin Metathesis","Journal of the American Chemical Society","2009","131","","8378","8379","10.1021/ja9030903","","","","","","","","","","","","","","","","","","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104584","6.2315","0.0012","8.0843","0.0015","10.0707","0.0019","90","","92.451","0.003","90","","506.87","0.17","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 Br O2 -","- C10 H13 Br O2 -","- C20 H26 Br2 O4 -","2","1","","Sang Young Yun; Jun-Cheng Zheng; Daesung Lee","Stereoelectronic Effect for the Selectivity in C-H Insertion of Alkylidene Carbenes and Its Application to the Synthesis of Platensimycin","Journal of the American Chemical Society","2009","131","","8413","8415","10.1021/ja903526g","","","0.71073","MoKα","","0.0317","0.0273","","","0.0768","0.0831","","","","","","0.539","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104585","9.623","0.005","9.685","0.005","18.137","0.007","94.26","0.04","90.13","0.04","103.56","0.05","1638.3","1.4","113.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H8 F N O2 S -","- C7 H8 F N O2 S -","- C56 H64 F8 N8 O16 S8 -","8","4","","Masahito Ochiai; Takuya Okada; Norihiro Tada; Akira Yoshimura; Kazunori Miyamoto; Motoo Shiro","Difluoro-λ3-bromane-Induced Hofmann Rearrangement of Sulfonamides: Synthesis of Sulfamoyl Fluorides","Journal of the American Chemical Society","2009","131","","8392","8393","10.1021/ja903544d","","","0.71075","MoKα","","","0.0699","","","","0.1909","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104586","15.33","0.003","15.326","0.003","15.626","0.003","90","","100.6","0.03","90","","3608.6","1.3","150","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 B F15 P -","- C38 H33 B F15 P -","- C152 H132 B4 F60 P4 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Terminal Alkyne Activation by Frustrated and Classical Lewis Acid/Phosphine Pairs","Journal of the American Chemical Society","2009","131","","8396","8397","10.1021/ja903650w","","","0.71073","MoKα","","0.0888","0.0439","","","0.0987","0.1181","","","","","","1.015","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104587","12.5867","0.0004","16.6533","0.0005","19.4595","0.0006","90","","100.549","0.001","90","","4010","0.2","296","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[tBu3PH][PhCCAl(C6F5)3]","","","- C41 H34.25 Al Cl0.5 F15 P -","- C41 H33 Al Cl0.5 F15 P -","- C164 H132 Al4 Cl2 F60 P4 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Terminal Alkyne Activation by Frustrated and Classical Lewis Acid/Phosphine Pairs","Journal of the American Chemical Society","2009","131","","8396","8397","10.1021/ja903650w","","","0.71073","MoKα","","0.0645","0.0406","","","0.097","0.1079","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104588","13.0438","0.0005","14.3208","0.0005","14.5274","0.0005","93.602","0.001","111.425","0.001","111.947","0.002","2279.78","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H32 B Br F15 P -","- C53 H32 B Br F15 P -","- C106 H64 B2 Br2 F30 P2 -","2","1","","Meghan A. Dureen; Douglas W. Stephan","Terminal Alkyne Activation by Frustrated and Classical Lewis Acid/Phosphine Pairs","Journal of the American Chemical Society","2009","131","","8396","8397","10.1021/ja903650w","","","0.71073","MoKα","","0.0757","0.0473","","","0.1097","0.1222","","","","","","1.019","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4104589","11.7981","0.0003","12.7991","0.0004","15.8684","0.0004","90.497","0.001","99.745","0.001","115.519","0.001","2122.25","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H27 Al Cl F15 P -","- C47.5 H27 Al Cl F15 P -","- C95 H54 Al2 Cl2 F30 P2 -","2","1","","Meghan A. Dureen; Douglas W. Stephan","Terminal Alkyne Activation by Frustrated and Classical Lewis Acid/Phosphine Pairs","Journal of the American Chemical Society","2009","131","","8396","8397","10.1021/ja903650w","","","0.71073","MoKα","","0.0554","0.0431","","","0.1152","0.1246","","","","","","1.004","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4104590","17.5355","0.0006","11.2841","0.0004","19.4421","0.0007","90","","103.055","0.002","90","","3747.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H21 B F15 P -","- C44 H21 B F15 P -","- C176 H84 B4 F60 P4 -","4","1","","Meghan A. Dureen; Douglas W. Stephan","Terminal Alkyne Activation by Frustrated and Classical Lewis Acid/Phosphine Pairs","Journal of the American Chemical Society","2009","131","","8396","8397","10.1021/ja903650w","","","0.71073","MoKα","","0.053","0.036","","","0.0862","0.0941","","","","","","1.037","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4104591","11.3593","0.0011","9.6066","0.0009","12.1731","0.0012","90","","109.728","0.002","90","","1250.4","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O3 -","- C30 H35 N O3 -","- C60 H70 N2 O6 -","2","1","","Robert B. Lettan; Chris V. Galliford; Chase C. Woodward; Karl A. Scheidt","Amide Enolate Additions to Acylsilanes: In Situ Generation of Unusual and Stereoselective Homoenolate Equivalents","Journal of the American Chemical Society","2009","131","","8805","8814","10.1021/ja808811u","","","0.71073","MoKα","","0.0427","0.0394","","","0.1054","0.109","","","","","","1.038","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104592","7.4375","0.0005","8.867","0.0006","14.4876","0.001","93.607","0.001","97.431","0.001","113.795","0.001","859.87","0.1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","4-Bromo-Lactam","","","- C17 H14 Br Cl N O2 -","- C17 H16 Br Cl2 N O2 -","- C34 H32 Br2 Cl4 N2 O4 -","2","1","","Robert B. Lettan; Chris V. Galliford; Chase C. Woodward; Karl A. Scheidt","Amide Enolate Additions to Acylsilanes: In Situ Generation of Unusual and Stereoselective Homoenolate Equivalents","Journal of the American Chemical Society","2009","131","","8805","8814","10.1021/ja808811u","","","0.71073","MoKα","","0.0433","0.0354","","","0.0916","0.097","","","","","","0.974","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104593","14.0078","0.0003","5.5406","0.0001","14.8626","0.0003","90","","117.008","0.001","90","","1027.71","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-bezoyl protected lactam","","","- C23 H17 Br2 N O3 -","- C23 H17 Br2 N O3 -","- C46 H34 Br4 N2 O6 -","2","1","","Robert B. Lettan; Chris V. Galliford; Chase C. Woodward; Karl A. Scheidt","Amide Enolate Additions to Acylsilanes: In Situ Generation of Unusual and Stereoselective Homoenolate Equivalents","Journal of the American Chemical Society","2009","131","","8805","8814","10.1021/ja808811u","","","0.71073","MoKα","","0.0437","0.0323","","","0.0712","0.1045","","","","","","1.047","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104594","8.4462","0.0009","22.7597","0.0018","11.106","0.0013","90","","91.095","0.013","90","","2134.5","0.4","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 F3 N5 O2 Pt -","- C18 H24 F3 N5 O2 Pt -","- C72 H96 F12 N20 O8 Pt4 -","4","1","","Ronald Lindner; Christoph Wagner; Dirk Steinborn","Synthesis of Trimethylplatinum(IV) Complexes with N,N- and N,O-Heterocyclic Carbene Ligands and Their Reductive C-C Elimination Reactions","Journal of the American Chemical Society","2009","131","","8861","8874","10.1021/ja901264t","","","0.71073","MoKα","","0.0665","0.0528","","","0.1206","0.13","","","","","","1.144","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104595","8.4637","0.0017","13.213","0.003","14.322","0.003","90","","95.57","0.02","90","","1594.1","0.6","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 N2 O2 Pt -","- C13 H24 N2 O2 Pt -","- C52 H96 N8 O8 Pt4 -","4","1","","Ronald Lindner; Christoph Wagner; Dirk Steinborn","Synthesis of Trimethylplatinum(IV) Complexes with N,N- and N,O-Heterocyclic Carbene Ligands and Their Reductive C-C Elimination Reactions","Journal of the American Chemical Society","2009","131","","8861","8874","10.1021/ja901264t","","","0.71073","MoKα","","0.0752","0.0662","","","0.1554","0.1626","","","","","","1.072","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104596","8.4311","0.0007","12.433","0.003","19.0694","0.0016","90","","96.35","0.007","90","","1986.7","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 B F4 N3 O Pt -","- C17 H22 B F4 N3 O Pt -","- C68 H88 B4 F16 N12 O4 Pt4 -","4","1","","Ronald Lindner; Christoph Wagner; Dirk Steinborn","Synthesis of Trimethylplatinum(IV) Complexes with N,N- and N,O-Heterocyclic Carbene Ligands and Their Reductive C-C Elimination Reactions","Journal of the American Chemical Society","2009","131","","8861","8874","10.1021/ja901264t","","","0.71073","MoKα","","0.0534","0.0406","","","0.0975","0.1056","","","","","","1.1","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104597","12.6603","0.0011","13.2237","0.0011","12.9492","0.0009","81.382","0.005","62.819","0.006","76.633","0.005","1873.8","0.3","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C78 H82 Cl2 F12 N8 O2 P2 Ru2 -","- C78 H82 Cl2 F12 N8 O2 P2 Ru2 -","- C78 H82 Cl2 F12 N8 O2 P2 Ru2 -","1","0.5","","Atanu Kumar Das; Biprajit Sarkar; Jan Fiedler; Stanislav Zális; Ingo Hartenbach; Sabine Strobel; Goutam Kumar Lahiri; Wolfgang Kaim","A Five-Center Redox System: Molecular Coupling of Two Noninnocent Imino-o-benzoquinonato-Ruthenium Functions through a π Acceptor Bridge","Journal of the American Chemical Society","2009","131","","8895","8902","10.1021/ja901746x","","","0.71073","MoKα","","0.1383","0.0656","","","0.1161","0.142","","","","","","1.012","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104598","6.753","0.006","22.44","0.02","10.447","0.009","90","","92.27","0.03","90","","1582","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 B N8 O2 -","- C13 H19 B N8 O2 -","- C52 H76 B4 N32 O8 -","4","1","","Huaping Li; Yunhua Xu; Corey V. Hoven; Chunzeng Li; Jung Hwa Seo; Guillermo C. Bazan","Molecular Design, Device Function and Surface Potential of Zwitterionic Electron Injection Layers","Journal of the American Chemical Society","2009","131","","8903","8912","10.1021/ja9018836","","","0.71073","MoKα","","0.4703","0.1622","","","0.2701","0.4084","","","","","","0.902","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104599","29.56","0.003","10.5832","0.001","21.554","0.002","90","","133.29","","90","","4908.1","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 F12 O16 Pt4 S4 -","- C36 H52 F12 O16 Pt4 S4 -","- C144 H208 F48 O64 Pt16 S16 -","4","0.5","","Nandita M. Weliange; Endre Szuromi; Paul R. Sharp","Proton-Catalyzed Oxo-Alkene Coupling: 2-Platinaoxetane Formation","Journal of the American Chemical Society","2009","131","","8736","8737","10.1021/ja902180k","","","0.71073","MoKα","","0.0899","0.0663","","","0.1508","0.1617","","","","","","1.069","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104600","9.5049","0.0011","13.4023","0.0014","15.0311","0.0018","81.229","0.005","72.047","0.005","79.572","0.005","1781.9","0.4","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H50 B2 N2 O2 Si4 -","- C30 H50 B2 N2 O2 Si4 -","- C60 H100 B4 N4 O4 Si8 -","2","1","","Holger Braunschweig; Thomas Herbst; Daniela Rais; Sundargopal Ghosh; Thomas Kupfer; Krzysztof Radacki; Andrew G. Crawford; Richard M. Ward; Todd B. Marder; Israel Fernández; Gernot Frenking","Borylene-Based Direct Functionalization of Organic Substrates: Synthesis, Characterization, and Photophysical Properties of Novel π-Conjugated Borirenes","Journal of the American Chemical Society","2009","131","","8989","8999","10.1021/ja902198z","","","0.71073","MoKα","","0.0529","0.0407","","","0.1065","0.1146","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104601","6.6063","0.0009","10.7222","0.0014","14.846","0.002","68.987","0.007","82.634","0.007","77.599","0.007","957.3","0.2","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H58 B2 N2 Si6 -","- C28 H58 B2 N2 Si6 -","- C28 H58 B2 N2 Si6 -","1","0.5","","Holger Braunschweig; Thomas Herbst; Daniela Rais; Sundargopal Ghosh; Thomas Kupfer; Krzysztof Radacki; Andrew G. Crawford; Richard M. Ward; Todd B. Marder; Israel Fernández; Gernot Frenking","Borylene-Based Direct Functionalization of Organic Substrates: Synthesis, Characterization, and Photophysical Properties of Novel π-Conjugated Borirenes","Journal of the American Chemical Society","2009","131","","8989","8999","10.1021/ja902198z","","","0.71073","MoKα","","0.0587","0.039","","","0.0943","0.1053","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104602","9.2297","0.0014","10.7223","0.0017","22.792","0.004","90","","90","","90","","2255.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Br N O -","- C26 H26 Br N O -","- C104 H104 Br4 N4 O4 -","4","1","","Wei Liu; Di Chen; Xia-Zhen Zhu; Xiao-Long Wan; Xue-Long Hou","Highly Diastereo- and Enantioselective Pd-Catalyzed Cyclopropanation of Acyclic Amides with Substituted Allyl Carbonates","Journal of the American Chemical Society","2009","131","","8734","8735","10.1021/ja902410w","","","0.71073","MoKα","","0.0868","0.0386","","","0.0768","0.0874","","","","","","0.927","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104603","9.5787","0.0019","20.267","0.004","19.729","0.004","90","","101.78","0.03","90","","3749.4","1.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 B2 F30 K N3 -","- C38 B2 F30 K N3 -","- C152 B8 F120 K4 N12 -","4","1","","Arne Bernsdorf; Harald Brand; Robert Hellmann; Martin Köckerling; Axel Schulz; Alexander Villinger; Karsten Voss","Synthesis, Structure, and Bonding of Weakly Coordinating Anions Based on CN Adducts","Journal of the American Chemical Society","2009","131","","8958","8970","10.1021/ja902450b","","","0.71073","MoKα","","0.1376","0.0513","","","0.0949","0.1131","","","","","","0.927","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104604","9.3129","0.0019","12.772","0.003","23.118","0.005","78.87","0.03","83.65","0.03","88.61","0.03","2681.5","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 Ag B2 F30 N3 O3 -","- C50 H30 Ag B2 F30 N3 O3 -","- C100 H60 Ag2 B4 F60 N6 O6 -","2","1","","Arne Bernsdorf; Harald Brand; Robert Hellmann; Martin Köckerling; Axel Schulz; Alexander Villinger; Karsten Voss","Synthesis, Structure, and Bonding of Weakly Coordinating Anions Based on CN Adducts","Journal of the American Chemical Society","2009","131","","8958","8970","10.1021/ja902450b","","","0.71073","MoKα","","0.0358","0.031","","","0.0828","0.0853","","","","","","1.053","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104605","9.2529","0.0019","13.331","0.003","23.851","0.005","83.84","0.03","82.06","0.03","79.71","0.03","2856.6","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H32 B2 F30 Li N3 O4 -","- C54 H32 B2 F30 Li N3 O4 -","- C108 H64 B4 F60 Li2 N6 O8 -","2","1","","Arne Bernsdorf; Harald Brand; Robert Hellmann; Martin Köckerling; Axel Schulz; Alexander Villinger; Karsten Voss","Synthesis, Structure, and Bonding of Weakly Coordinating Anions Based on CN Adducts","Journal of the American Chemical Society","2009","131","","8958","8970","10.1021/ja902450b","","","0.71073","MoKα","","0.0819","0.044","","","0.1109","0.1223","","","","","","1.07","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104606","18.433","0.004","19.776","0.004","24.987","0.005","68.15","0.03","81.19","0.03","71.5","0.03","8011","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C71.82 H28.38 B3 F45 K N3 O6.46 -","- C71.826 H28.383 B3 F45 K N3 O6.4565 -","- C287.304 H113.532 B12 F180 K4 N12 O25.826 -","4","2","","Arne Bernsdorf; Harald Brand; Robert Hellmann; Martin Köckerling; Axel Schulz; Alexander Villinger; Karsten Voss","Synthesis, Structure, and Bonding of Weakly Coordinating Anions Based on CN Adducts","Journal of the American Chemical Society","2009","131","","8958","8970","10.1021/ja902450b","","","0.71073","MoKα","","0.0851","0.0573","","","0.1654","0.1808","","","","","","1.099","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104607","14.916","0.008","18.504","0.009","20.187","0.009","110.387","0.014","105.512","0.011","106.621","0.015","4567","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H35 B5 F60 N5 O1.5 -","- C90 H35 B5 F60 N5 O1.5 -","- C180 H70 B10 F120 N10 O3 -","2","1","","Arne Bernsdorf; Harald Brand; Robert Hellmann; Martin Köckerling; Axel Schulz; Alexander Villinger; Karsten Voss","Synthesis, Structure, and Bonding of Weakly Coordinating Anions Based on CN Adducts","Journal of the American Chemical Society","2009","131","","8958","8970","10.1021/ja902450b","","","0.71073","MoKα","","0.0562","0.0334","","","0.0734","0.0801","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104608","17.9158","0.0005","18.8215","0.0006","21.0662","0.0006","111.374","0.002","111.849","0.002","112.211","0.002","4938","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H40 B5 F60 K N4 O4 -","- C92 H40 B5 F60 K N4 O4 -","- C184 H80 B10 F120 K2 N8 O8 -","2","1","","Arne Bernsdorf; Harald Brand; Robert Hellmann; Martin Köckerling; Axel Schulz; Alexander Villinger; Karsten Voss","Synthesis, Structure, and Bonding of Weakly Coordinating Anions Based on CN Adducts","Journal of the American Chemical Society","2009","131","","8958","8970","10.1021/ja902450b","","","0.71073","MoKα","","0.0866","0.0464","","","0.1161","0.1292","","","","","","1.051","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104609","6.3338","0.0001","15.4559","0.0003","7.2741","0.0002","90","","108.775","0.001","90","","674.2","0.03","100","2","100","2","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","2-Acetamido-1,6-anhydro-4-O-benzyl-2-deoxy-3-O- [(1R)-1-(methoxycarbonyl)ethyl]-β-D-glucopyranose","","","- C12 H19 N O7 -","- C12 H19 N O7 -","- C24 H38 N2 O14 -","2","1","","Mijoon Lee; Weilie Zhang; Dusan Hesek; Bruce C. Noll; Bill Boggess; Shahriar Mobashery","Bacterial AmpD at the Crossroads of Peptidoglycan Recycling and Manifestation of Antibiotic Resistance","Journal of the American Chemical Society","2009","131","","8742","8743","10.1021/ja9025566","","x-ray","1.54178","CuKα","","0.0264","0.0264","","","0.0684","0.0684","","","","","","1.06","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104610","6.5617","0.0004","7.4785","0.0006","11.1417","0.0007","80.146","0.001","75.201","0.003","89.762","0.003","520.36","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H34 Cl2 Pd2 -","- C22 H34 Cl2 Pd2 -","- C22 H34 Cl2 Pd2 -","1","0.5","","Marc D. Walter; Rebecca A. Moorhouse; Stephanie A. Urbin; Peter S. White; Maurice Brookhart","γ-Agostic Species as Key Intermediates in the Vinyl Addition Polymerization of Norbornene with Cationic (allyl)Pd Catalysts: Synthesis and Mechanistic Insights","Journal of the American Chemical Society","2009","131","","9055","9069","10.1021/ja9025598","","","0.71073","MoKα","","0.042","0.0373","","","0.0892","0.091","","","","","","1.064","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104611","9.867","0.0002","18.4716","0.0003","13.4204","0.0003","90","","92.169","0.001","90","","2444.24","0.08","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 F6 N2 Pd Sb -","- C21 H27 F6 N2 Pd Sb -","- C84 H108 F24 N8 Pd4 Sb4 -","4","1","","Marc D. Walter; Rebecca A. Moorhouse; Stephanie A. Urbin; Peter S. White; Maurice Brookhart","γ-Agostic Species as Key Intermediates in the Vinyl Addition Polymerization of Norbornene with Cationic (allyl)Pd Catalysts: Synthesis and Mechanistic Insights","Journal of the American Chemical Society","2009","131","","9055","9069","10.1021/ja9025598","","","0.71073","MoKα","","0.0565","0.0479","","","0.1262","0.1341","","","","","","1.037","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104612","14.5005","0.0004","9.7599","0.0003","15.6128","0.0005","90","","90","","90","","2209.58","0.12","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H29 F6 Pd Sb -","- C20 H29 F6 Pd Sb -","- C80 H116 F24 Pd4 Sb4 -","4","1","","Marc D. Walter; Rebecca A. Moorhouse; Stephanie A. Urbin; Peter S. White; Maurice Brookhart","γ-Agostic Species as Key Intermediates in the Vinyl Addition Polymerization of Norbornene with Cationic (allyl)Pd Catalysts: Synthesis and Mechanistic Insights","Journal of the American Chemical Society","2009","131","","9055","9069","10.1021/ja9025598","","","1.54178","CuKα","","0.0317","0.0291","","","0.0678","0.0691","","","","","","1.07","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104613","11.5854","0.0005","17.7525","0.0006","22.9995","0.0008","90","","90","","90","","4730.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H28 Cl3 F6 Pd Sb -","- C19 H28 Cl3 F6 Pd Sb -","- C152 H224 Cl24 F48 Pd8 Sb8 -","8","1","","Marc D. Walter; Rebecca A. Moorhouse; Stephanie A. Urbin; Peter S. White; Maurice Brookhart","γ-Agostic Species as Key Intermediates in the Vinyl Addition Polymerization of Norbornene with Cationic (allyl)Pd Catalysts: Synthesis and Mechanistic Insights","Journal of the American Chemical Society","2009","131","","9055","9069","10.1021/ja9025598","","","1.54178","CuKα","","0.0562","0.0483","","","0.1187","0.1234","","","","","","1.081","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104614","9.2362","0.0004","12.7024","0.0006","20.4499","0.0009","90","","98.137","0.003","90","","2375.07","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 F6 Pd Sb -","- C22 H35 F6 Pd Sb -","- C88 H140 F24 Pd4 Sb4 -","4","1","","Marc D. Walter; Rebecca A. Moorhouse; Stephanie A. Urbin; Peter S. White; Maurice Brookhart","γ-Agostic Species as Key Intermediates in the Vinyl Addition Polymerization of Norbornene with Cationic (allyl)Pd Catalysts: Synthesis and Mechanistic Insights","Journal of the American Chemical Society","2009","131","","9055","9069","10.1021/ja9025598","","","1.54178","CuKα","","0.0369","0.0307","","","0.0758","0.0788","","","","","","1.012","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104615","14.2449","0.0004","14.3354","0.0004","20.8288","0.0006","94.688","0.002","94.819","0.002","102.3","0.002","4119.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(K-crypt)3[Ge9-(C(CH3)=CHCH2CH3)]0.5[Ge9-(C(CH2CH3)=CHCH3)]0.5 0.4bz","","- C60.25 H116.1 Ge9 K3 N6 O18 -","- C60.254 H116.103 Ge9 K3 N6 O18 -","- C120.508 H232.206 Ge18 K6 N12 O36 -","2","1","","Michael W. Hull; Slavi C. Sevov","Functionalization of Nine-Atom Deltahedral Zintl Ions with Organic Substituents: Detailed Studies of the Reactions","Journal of the American Chemical Society","2009","131","","9026","9037","10.1021/ja9025962","","","0.71073","MoKα","","0.0654","0.0477","","","0.1123","0.1217","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104616","14.9391","0.0003","25.7127","0.0005","19.0906","0.0004","90","","93.89","0.001","90","","7316.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(K-crypt)2[Ge9-(CH2CH(CH2)2)2] 3en","","- C50 H86 Ge9 K2 N10 O12 -","- C50 H86 Ge9 K2 N10 O12 -","- C200 H344 Ge36 K8 N40 O48 -","4","1","","Michael W. Hull; Slavi C. Sevov","Functionalization of Nine-Atom Deltahedral Zintl Ions with Organic Substituents: Detailed Studies of the Reactions","Journal of the American Chemical Society","2009","131","","9026","9037","10.1021/ja9025962","","","0.71073","MoKα","","0.0315","0.026","","","0.0627","0.0658","","","","","","1.079","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104617","12.22","0.002","11.51","0.002","15.874","0.003","90","","90","","90","","2232.7","0.7","253","2","253","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H19 Au F6 N5 P -","- C22 H8 Au F6 N3 P -","- C88 H32 Au4 F24 N12 P4 -","4","0.5","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0358","0.0317","","","0.0792","0.0808","","","","","","1.073","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104618","14.153","0.002","23.683","0.004","28.211","0.005","90","","90","","90","","9456","3","301","2","301","2","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C30 H35 Au F6 N3 P -","- C30 H35 Au F6 N3 P -","- C360 H420 Au12 F72 N36 P12 -","12","1.5","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0367","0.0328","","","0.0917","0.0951","","","","","","1.086","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104619","12.332","0.002","7.8178","0.001","25.914","0.004","90","","102.07","0.02","90","","2443.1","0.7","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Au F6 N3 P -","- C26 H21 Au F6 N3 P -","- C104 H84 Au4 F24 N12 P4 -","4","1","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0249","0.0224","","","0.0556","0.0567","","","","","","1.052","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104620","12.803","0.003","14.174","0.003","21.385","0.004","90","","92.98","0.02","90","","3875.5","1.4","301","2","301","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 Au Cl2 F6 N3 P -","- C39 H39 Au Cl2 F6 N3 P -","- C156 H156 Au4 Cl8 F24 N12 P4 -","4","1","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0526","0.0382","","","0.095","0.1053","","","","","","1.059","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104621","20.382","0.004","13.797","0.003","17.645","0.003","90","","115.82","0.03","90","","4466.6","1.9","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Au2 F12 N6 P2 -","- C44 H36 Au2 F12 N6 P2 -","- C176 H144 Au8 F48 N24 P8 -","4","0.5","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0572","0.0436","","","0.108","0.1141","","","","","","0.947","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104622","21.34","0.004","13.782","0.003","17.768","0.004","90","","119.07","0.03","90","","4567","2","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 Au2 F12 N6 P2 -","- C46 H40 Au2 F12 N6 P2 -","- C184 H160 Au8 F48 N24 P8 -","4","0.5","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0465","0.0313","","","0.0804","0.087","","","","","","0.719","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104623","16.308","0.002","16.308","0.002","25.786","0.003","90","","90","","90","","6857.8","1.4","301","2","301","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C61 H70 Au2 Cl2 F12 N6 P2 -","- C61 H70 Au2 Cl2 F12 N6 P2 -","- C244 H280 Au8 Cl8 F48 N24 P8 -","4","0.5","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.032","0.0276","","","0.0792","0.0823","","","","","","1.128","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104624","12.17","0.002","21.315","0.004","27.64","0.005","90","","100.98","0.02","90","","7039","2","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H72 Au2 F12 N6 P2 -","- C62 H72 Au2 F12 N6 P2 -","- C248 H288 Au8 F48 N24 P8 -","4","1","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0939","0.0503","","","0.1177","0.1294","","","","","","0.941","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104625","14.371","0.003","15.173","0.003","16.517","0.003","99.31","0.02","106.95","0.02","113.94","0.02","2982.8","1.4","301","2","301","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H45 Au2 Cl6 F12 N6 P2 -","- C53 H45 Au2 Cl6 F12 N6 P2 -","- C106 H90 Au4 Cl12 F24 N12 P4 -","2","1","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0425","0.0346","","","0.0944","0.1005","","","","","","1.041","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104626","9.3374","0.0002","10.8037","0.0002","17.3964","0.0004","90","","95.327","0.001","90","","1747.34","0.06","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cr N6 -","- C20 H12 Cr N6 -","- C80 H48 Cr4 N24 -","4","1","","Juan J. Novoa; Peter W. Stephens; Mahika Weerasekare; William W. Shum; Joel S. Miller","The Tetracyanopyrazinide Dimer Dianion, [TCNP]22-. 2-Electron 8-Center Bonding","Journal of the American Chemical Society","2009","131","","9070","9075","10.1021/ja902790q","powder diffraction","","0.69862","synchrotron","","","","","","","","","","2.355","","","","","","","has coordinates,has Fobs","178792","2020-10-21","18:00:00",""
"4104627","11.859","0.005","18.165","0.007","11.25","0.004","90","","90","","90","","2423.5","1.6","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","open-1a","","","- C27 H39 B N2 O -","- C27 H39 B N2 O -","- C108 H156 B4 N8 O4 -","4","1","","Oishi, Shunsuke; Yoshimoto, Junichi; Saito, Susumu","Importance of Open Structure of Nonmetal Based Catalyst in Hydrogen Bond Promoted Methanolysis of Activated Amide: Structure Dynamics between Monomer and Dimer Enabling Recombinant Covalent, Dative, and Hydrogen Bonds","Journal of the American Chemical Society","2009","131","25","8748","8749","10.1021/ja9029494","","","0.7107","MoKα","","0.1163","0.0657","","","0.1524","0.1755","","","","","","0.867","","","","has coordinates,has disorder","210885","2020-10-21","18:00:00",""
"4104628","10.165","0.005","10.657","0.005","15.576","0.007","91.12","0.006","96.552","0.006","112.679","0.007","1543","1.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","closed-1b","","","- C16 H20 B Cl N2 -","- C16 H20 B Cl N2 -","- C64 H80 B4 Cl4 N8 -","4","2","","Oishi, Shunsuke; Yoshimoto, Junichi; Saito, Susumu","Importance of Open Structure of Nonmetal Based Catalyst in Hydrogen Bond Promoted Methanolysis of Activated Amide: Structure Dynamics between Monomer and Dimer Enabling Recombinant Covalent, Dative, and Hydrogen Bonds","Journal of the American Chemical Society","2009","131","25","8748","8749","10.1021/ja9029494","","","0.7107","MoKα","","0.1832","0.0916","","","0.1889","0.2461","","","","","","1.04","","","","has coordinates","210885","2020-10-21","18:00:00",""
"4104629","9.3384","0.0002","18.7078","0.0003","19.0897","0.0003","90","","103.963","0.001","90","","3236.45","0.1","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 N3 P Si -","- C33 H48 N3 P Si -","- C132 H192 N12 P4 Si4 -","4","1","","David Gau; Tsuyoshi Kato; Nathalie Saffon-Merceron; Fernando P. Cossío; Antoine Baceiredo","Stable Phosphonium Sila-ylide with Reactivity as a Sila-Wittig Reagent","Journal of the American Chemical Society","2009","131","","8762","8763","10.1021/ja903540b","","","0.71073","MoKα","","0.0806","0.0462","","","0.1033","0.117","","","","","","1.023","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104630","11.4815","0.0007","19.0392","0.0012","18.8348","0.0012","90","","98.605","0.004","90","","4070.9","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 N3 O P Si -","- C43 H60 N3 O P Si -","- C172 H240 N12 O4 P4 Si4 -","4","1","","David Gau; Tsuyoshi Kato; Nathalie Saffon-Merceron; Fernando P. Cossío; Antoine Baceiredo","Stable Phosphonium Sila-ylide with Reactivity as a Sila-Wittig Reagent","Journal of the American Chemical Society","2009","131","","8762","8763","10.1021/ja903540b","","","0.71073","MoKα","","0.1625","0.0565","","","0.1081","0.1433","","","","","","0.925","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104631","11.9212","0.0014","13.8989","0.0016","15.3715","0.0018","86.97","0.002","84.26","0.002","84.825","0.002","2521.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","iPr3SiPNb[Np]Ar)3","","","- C48 H81 N3 Nb P Si -","- C48 H81 N3 Nb P Si -","- C96 H162 N6 Nb2 P2 Si2 -","2","1","","Nicholas A. Piro; Christopher C. Cummins","An Unusual P-P Double Bond Formed via Phospha-Wittig Transformation of a Terminal PO Complex","Journal of the American Chemical Society","2009","131","","8764","8765","10.1021/ja903860k","","","0.71073","MoKα","","0.07","0.0428","","","0.093","0.1046","","","","","","1.027","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104632","11.4081","0.001","15.4385","0.0014","16.768","0.0015","65.237","0.001","72.983","0.002","75.312","0.002","2534.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","iPr3SiPPMo(N[tBu]Ar)3","","","- C48 H82 Mo N3 P2 Si -","- C48 H82 Mo N3 P2 Si -","- C96 H164 Mo2 N6 P4 Si2 -","2","1","","Nicholas A. Piro; Christopher C. Cummins","An Unusual P-P Double Bond Formed via Phospha-Wittig Transformation of a Terminal PO Complex","Journal of the American Chemical Society","2009","131","","8764","8765","10.1021/ja903860k","","","0.71073","MoKα","","0.0528","0.0342","","","0.0734","0.0816","","","","","","1.013","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104633","17.287","0.005","8.552","0.002","11.053","0.003","90","","91.16","0.07","90","","1633.7","0.8","128","2","128","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 I N2 -","- C18 H17 I N2 -","- C72 H68 I4 N8 -","4","1","","P. Andrew Evans; Elizabeth A. Clizbe","Unlocking Ylide Reactivity in the Metal-Catalyzed Allylic Substitution Reaction: Stereospecific Construction of Primary Allylic Amines with Aza-Ylides","Journal of the American Chemical Society","2009","131","","8722","8723","10.1021/ja9041302","","","0.71073","MoKα","","0.0808","0.0405","","","0.0677","0.0755","","","","","","0.958","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104634","7.812","0.002","5.9774","0.0019","15.107","0.005","90","","100.213","0.006","90","","694.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Br O3 -","- C15 H15 Br O3 -","- C30 H30 Br2 O6 -","2","1","","Ting Yang; Alessandro Ferrali; Filippo Sladojevich; Leonie Campbell; Darren J. Dixon","Brønsted Base/Lewis Acid Cooperative Catalysis in the Enantioselective Conia-Ene Reaction","Journal of the American Chemical Society","2009","131","","9140","9141","10.1021/ja9004859","","","0.71073","MoKα","","0.0446","0.0368","","","0.0812","0.104","","","","","","1.008","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104635","9.5181","0.0017","8.1566","0.0016","20.525","0.004","90","","101.954","0.004","90","","1558.9","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H15 Br N2 O3 S -","- C15 H15 Br N2 O3 S -","- C60 H60 Br4 N8 O12 S4 -","4","2","","Ting Yang; Alessandro Ferrali; Filippo Sladojevich; Leonie Campbell; Darren J. Dixon","Brønsted Base/Lewis Acid Cooperative Catalysis in the Enantioselective Conia-Ene Reaction","Journal of the American Chemical Society","2009","131","","9140","9141","10.1021/ja9004859","","","0.71073","MoKα","","0.0511","0.0384","","","0.0695","0.073","","","","","","0.895","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104636","9.0724","0.0005","16.39","0.0008","9.9887","0.0005","90","","115.326","0.0005","90","","1342.53","0.12","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H34 Mo O2 Si -","- C30 H34 Mo O2 Si -","- C60 H68 Mo2 O4 Si2 -","2","1","","Mako Yabe-Yoshida; Chizuko Kabuto; Kuninobu Kabuto; Eunsang Kwon; Hiroyuki Sakaba","η3-Silapropargyl/Alkynylsilyl Molybdenum Complexes: Synthesis, Structure, and Reactivity toward Methanol","Journal of the American Chemical Society","2009","131","","9138","9139","10.1021/ja9005833","","","0.7107","MoKα","","","0.0307","","","","0.0747","","","","","","0.826","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104637","8.962","0.002","17.016","0.004","17.214","0.005","90","","90","","90","","2625.1","1.1","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Mo O2 Si -","- C29 H32 Mo O2 Si -","- C116 H128 Mo4 O8 Si4 -","4","1","","Mako Yabe-Yoshida; Chizuko Kabuto; Kuninobu Kabuto; Eunsang Kwon; Hiroyuki Sakaba","η3-Silapropargyl/Alkynylsilyl Molybdenum Complexes: Synthesis, Structure, and Reactivity toward Methanol","Journal of the American Chemical Society","2009","131","","9138","9139","10.1021/ja9005833","","","0.7107","MoKα","","","0.028","","","","0.0488","","","","","","1.09","","","","has coordinates","296799","2024-12-09","10:30:37",""
"4104638","11.3091","0.0008","14.9091","0.0011","18.1392","0.0011","100","0.003","96.53","0.003","99.907","0.003","2934.4","0.4","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Mo O3 Si -","- C31 H38 Mo O3 Si -","- C124 H152 Mo4 O12 Si4 -","4","2","","Mako Yabe-Yoshida; Chizuko Kabuto; Kuninobu Kabuto; Eunsang Kwon; Hiroyuki Sakaba","η3-Silapropargyl/Alkynylsilyl Molybdenum Complexes: Synthesis, Structure, and Reactivity toward Methanol","Journal of the American Chemical Society","2009","131","","9138","9139","10.1021/ja9005833","","","0.7107","MoKα","","","0.0543","","","","0.1834","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104639","10.806","0.003","15.449","0.004","16.924","0.004","90","","104.841","0.0009","90","","2731.1","1.2","173.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Mo O3 Si -","- C30 H36 Mo O3 Si -","- C120 H144 Mo4 O12 Si4 -","4","1","","Mako Yabe-Yoshida; Chizuko Kabuto; Kuninobu Kabuto; Eunsang Kwon; Hiroyuki Sakaba","η3-Silapropargyl/Alkynylsilyl Molybdenum Complexes: Synthesis, Structure, and Reactivity toward Methanol","Journal of the American Chemical Society","2009","131","","9138","9139","10.1021/ja9005833","","","0.7107","MoKα","","","0.0374","","","","0.1111","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104640","42.8434","0.0003","42.8434","0.0003","42.8434","0.0003","90","","90","","90","","78641.5","1","173","2","173","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 H6 O5 Zn -","- C12 H4 O5 Zn -","- C1152 H384 O480 Zn96 -","96","0.5","","Dan Zhao; Daqiang Yuan; Daofeng Sun; Hong-Cai Zhou","Stabilization of Metal-Organic Frameworks with High Surface Areas by the Incorporation of Mesocavities with Microwindows","Journal of the American Chemical Society","2009","131","","9186","9188","10.1021/ja901109t","","","1.54178","CuKα","","0.0509","0.0501","","","0.1588","0.16","","","","","","1.115","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104641","42.7958","0.0006","42.7958","0.0006","42.7958","0.0006","90","","90","","90","","78379.7","1.9","173","2","173","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 H6 Cu O5 -","- C12 H4 Cu O5 -","- C1152 H384 Cu96 O480 -","96","0.5","","Dan Zhao; Daqiang Yuan; Daofeng Sun; Hong-Cai Zhou","Stabilization of Metal-Organic Frameworks with High Surface Areas by the Incorporation of Mesocavities with Microwindows","Journal of the American Chemical Society","2009","131","","9186","9188","10.1021/ja901109t","","","1.54178","CuKα","","0.0444","0.0423","","","0.1176","0.1187","","","","","","1.122","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104642","49.112","0.004","49.112","0.004","49.112","0.004","90","","90","","90","","118458","17","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C48 H27 Cu3 N O15 -","- C48 H21 Cu3 N O15 -","- C1536 H672 Cu96 N32 O480 -","32","0.166667","","Dan Zhao; Daqiang Yuan; Daofeng Sun; Hong-Cai Zhou","Stabilization of Metal-Organic Frameworks with High Surface Areas by the Incorporation of Mesocavities with Microwindows","Journal of the American Chemical Society","2009","131","","9186","9188","10.1021/ja901109t","","","0.4428","synchrotronradiation","","0.2442","0.1204","","","0.3423","0.3864","","","","","","1.104","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104643","8.0087","0.0015","11.234","0.003","30.148","0.004","90","","90","","90","","2712.4","1","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O3 S -","- C13 H15 Cl O3 S -","- C104 H120 Cl8 O24 S8 -","8","2","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","1.54184","Cu-Kα","","0.093","0.083","","","0.22","0.233","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104644","12.0832","0.0003","12.9599","0.0002","20.2495","0.0006","90","","95.4158","0.0008","90","","3156.86","0.13","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C108 H192 O16 S4 Si8 -","4","2","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","0.71073","MO-Kα","","0.088","0.044","","","0.078","0.089","","","","","","1.004","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4104645","6.4091","0.0005","7.7404","0.0007","12.1635","0.0012","87.745","0.004","86.296","0.005","67.756","0.005","557.27","0.09","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","1","1","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","0.71073","MO-Kα","","0.05","0.041","","","0.095","0.099","","","","","","1.088","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4104646","7.8455","0.0007","12.3519","0.001","12.7612","0.0012","102.975","0.004","90.66","0.005","106.971","0.004","1148.65","0.18","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","- C42 H68 O8 S2 Si2 -","2","1","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","0.71073","MO-Kα","","0.08","0.046","","","0.108","0.119","","","","","","1.034","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4104647","10.4714","0.0009","8.9475","0.0006","13.4056","0.0016","90","","111.345","0.005","90","","1169.85","0.19","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","- C42 H68 O8 S2 Si2 -","2","1","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","0.71073","MO-Kα","","0.058","0.049","","","0.123","0.129","","","","","","1.035","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4104648","10.5248","0.0013","11.1963","0.0006","11.4028","0.0006","90","","90","","90","","1343.69","0.19","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 S -","- C14 H18 O3 S -","- C56 H72 O12 S4 -","4","1","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","0.71073","MO-Kα","","0.043","0.033","","","0.077","0.08","","","","","","1.07","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4104649","8.0121","0.0005","12.8257","0.0019","12.9887","0.0013","90","","94.926","0.007","90","","1329.8","0.3","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O3 S -","- C14 H18 O3 S -","- C56 H72 O12 S4 -","4","1","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","0.71073","MO-Kα","","0.087","0.056","","","0.096","0.105","","","","","","1.094","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4104650","14.709","0.004","15.587","0.003","15.703","0.003","75.603","0.007","65.44","0.008","78.677","0.009","3153.9","1.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Ce@C82(Ad)-II","Ce@C82(Ad)-II","","- C109 H50 Ce N S2 -","- C109 H50 Ce N S2 -","- C218 H100 Ce2 N2 S4 -","2","1","","Yuta Takano; Motoki Aoyagi; Michio Yamada; Hidefumi Nikawa; Zdenek Slanina; Naomi Mizorogi; Midori O. Ishitsuka; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Tatsuhisa Kato; Shigeru Nagase","Anisotropic Magnetic Behavior of Anionic Ce@C82 Carbene Adducts","Journal of the American Chemical Society","2009","131","","9340","9346","10.1021/ja902106a","","x-ray","0.71075","MoKα","","0.0715","0.0593","","","0.147","0.1539","","","","","","1.023","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104651","15.171","0.002","9.7939","0.0014","19.8","0.003","90","","107.199","0.003","90","","2810.4","0.7","273","2","273","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C63 H56 Al2 N2 O4 S2 -","- C63 H53 Al2 N2 O4 S2 -","- C126 H106 Al4 N4 O8 S4 -","2","0.5","","Masato Ohashi; Osamu Kishizaki; Haruo Ikeda; Sensuke Ogoshi","Ni(0)-Catalyzed Formation of Azaaluminacyclopentenes via Azanickelacyclopentenes: A Unique Nickel/Aluminum Double Transmetalation Reaction","Journal of the American Chemical Society","2009","131","","9160","9161","10.1021/ja903175g","","","0.71075","MoKα","","0.1018","0.0685","","","0.1801","0.2089","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104652","11.6351","0.0004","17.7899","0.0006","12.3513","0.0005","90","","105.272","0.0012","90","","2466.28","0.16","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H54 N2 O4 S2 Zn2 -","- C58 H54 N2 O4 S2 Zn2 -","- C116 H108 N4 O8 S4 Zn4 -","2","0.5","","Masato Ohashi; Osamu Kishizaki; Haruo Ikeda; Sensuke Ogoshi","Ni(0)-Catalyzed Formation of Azaaluminacyclopentenes via Azanickelacyclopentenes: A Unique Nickel/Aluminum Double Transmetalation Reaction","Journal of the American Chemical Society","2009","131","","9160","9161","10.1021/ja903175g","","","0.71075","MoKα","","0.0912","0.0436","","","0.1024","0.1352","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104653","20.745","0.003","20.745","0.003","20.745","0.003","90","","90","","90","","8928","2","190","2","190","2","","","","","","","","6","I 2 3","I 2 2 3","197","","tris(<i>N</i>,<i>N</i>-dimethyl-<i>N'</i>,<i>N''</i>- diphenylguanidinato-κ^2^<i>N'</i>,<i>N''</i>)iridium(IV) hexafluorophosphate","","- C45 H48 F6 Ir N9 P -","- C45 H48 F6 Ir N9 P -","- C360 H384 F48 Ir8 N72 P8 -","8","0.333333","","Jan-Uwe Rohde; Wei-Tsung Lee","Stabilization of Iridium(IV) by Monoanionic Dialkyldiarylguanidinato Ligands","Journal of the American Chemical Society","2009","131","","9162","9163","10.1021/ja9033445","","","0.71073","MoKα","","0.0403","0.0312","","","0.0639","0.0674","","","","","","1.126","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104654","14.6514","0.0003","8.15258","0.00015","27.4291","0.0005","90","","105.491","","90","","3157.3","0.1","93.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 Br N2 O3 -","- C17 H15 Br N2 O3 -","- C136 H120 Br8 N16 O24 -","8","4","","Yuko Kato; Makoto Furutachi; Zhihua Chen; Harunobu Mitsunuma; Shigeki Matsunaga; Masakatsu Shibasaki","A Homodinuclear Mn(III)2-Schiff Base Complex for Catalytic Asymmetric 1,4-Additions of Oxindoles to Nitroalkenes","Journal of the American Chemical Society","2009","131","","9168","9169","10.1021/ja903566u","","","1.54187","CuKα","","","0.0524","","","","0.1325","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104655","8.2712","0.0003","22.5001","0.0007","10.3639","0.0005","90","","112.117","0.005","90","","1786.83","0.14","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 F6 N2 O6 S2 -","- C12 H16 F6 N2 O6 S2 -","- C48 H64 F24 N8 O24 S8 -","4","1","","Michael J. Corr; Kirsty F. Gibson; Alan R. Kennedy; John A. Murphy","Amidine Dications: Isolation and [Fe]-Hydrogenase-Related Hydrogenation","Journal of the American Chemical Society","2009","131","","9174","9175","10.1021/ja9035847","","","0.71073","MoKα","","0.0563","0.032","","","0.0699","0.0736","","","","","","0.952","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104656","9.3365","0.0008","14.1848","0.0012","13.2684","0.001","90","","95.355","0.008","90","","1749.5","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 F6 N3 O6 S2 -","- C11 H15 F6 N3 O6 S2 -","- C44 H60 F24 N12 O24 S8 -","4","1","","Michael J. Corr; Kirsty F. Gibson; Alan R. Kennedy; John A. Murphy","Amidine Dications: Isolation and [Fe]-Hydrogenase-Related Hydrogenation","Journal of the American Chemical Society","2009","131","","9174","9175","10.1021/ja9035847","","","0.71073","MoKα","","0.0474","0.0389","","","0.1072","0.111","","","","","","1.113","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104657","8.0514","0.0002","11.9665","0.0002","29.3775","0.0006","90","","90","","90","","2830.44","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 N O4 -","- C35 H35 N O4 -","- C140 H140 N4 O16 -","4","1","","Noah Z. Burns; Irina N. Krylova; Rami N. Hannoush; Phil S. Baran","Scalable Total Synthesis and Biological Evaluation of Haouamine A and Its Atropisomer","Journal of the American Chemical Society","2009","131","","9172","9173","10.1021/ja903745s","","","1.54178","CuKα","","0.0323","0.0298","","","0.075","0.0769","","","","","","1.056","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104658","7.682","0.0002","16.375","0.0005","10.8454","0.0003","90","","93.972","0.002","90","","1361","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H35 N O4 -","- C35 H35 N O4 -","- C70 H70 N2 O8 -","2","1","","Noah Z. Burns; Irina N. Krylova; Rami N. Hannoush; Phil S. Baran","Scalable Total Synthesis and Biological Evaluation of Haouamine A and Its Atropisomer","Journal of the American Chemical Society","2009","131","","9172","9173","10.1021/ja903745s","","","1.54178","CuKα","","0.0303","0.0282","","","0.075","0.0772","","","","","","1.021","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104659","10.538","0.007","28.664","0.019","9.364","0.006","90","","108.383","0.01","90","","2684","3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 N O4 -","- C35 H33 N O4 -","- C140 H132 N4 O16 -","4","1","","Noah Z. Burns; Irina N. Krylova; Rami N. Hannoush; Phil S. Baran","Scalable Total Synthesis and Biological Evaluation of Haouamine A and Its Atropisomer","Journal of the American Chemical Society","2009","131","","9172","9173","10.1021/ja903745s","","","0.71073","MoKα","","0.0604","0.0474","","","0.1235","0.1348","","","","","","1.044","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104660","17.58","0.002","22.673","0.003","27.942","0.004","113.887","0.002","95.475","0.002","105.025","0.002","9579","2","129","2","129","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H19 Br N2 O2 S -","- C19 H19 Br N2 O2 S -","- C380 H380 Br20 N40 O40 S20 -","20","20","","Florian Kleinbeck; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Ring Expansion of Allenylcyclopropanols","Journal of the American Chemical Society","2009","131","","9178","9179","10.1021/ja904055z","","","0.71073","MoKα","","0.1367","0.0659","","","0.1312","0.1535","","","","","","1.146","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104661","12.29","0.002","16.966","0.003","17.644","0.003","90","","93.728","0.004","90","","3671.2","1.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","holkd22","","","- C78 H126 Co2 N6 O2 -","- C78 H126 Co2 N6 O2 -","- C156 H252 Co4 N12 O4 -","2","0.5","","Keying Ding; Aaron W. Pierpont; William W. Brennessel; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Thomas R. Cundari; Eckhard Bill; Patrick L. Holland","Cobalt-Dinitrogen Complexes with Weakened N-N Bonds","Journal of the American Chemical Society","2009","131","","9471","9472","10.1021/ja808783u","","","0.71073","MoKα","","0.0623","0.0385","","","0.0953","0.106","","","","","","1.011","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104662","12.6815","0.0011","12.856","0.0011","24.425","0.002","88.476","0.002","88.613","0.002","63.648","0.001","3566.7","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","holph04","","","- C70 H106 Co2 N6 Na2 -","- C70 H106 Co2 N6 Na2 -","- C140 H212 Co4 N12 Na4 -","2","1","","Keying Ding; Aaron W. Pierpont; William W. Brennessel; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Thomas R. Cundari; Eckhard Bill; Patrick L. Holland","Cobalt-Dinitrogen Complexes with Weakened N-N Bonds","Journal of the American Chemical Society","2009","131","","9471","9472","10.1021/ja808783u","","","0.71073","MoKα","","0.1933","0.0894","","","0.195","0.2217","","","","","","0.967","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104663","22.557","0.004","21.451","0.004","15.372","0.003","90","","100.242","0.002","90","","7320","2","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","holkd14","","","- C70 H106 Co2 K2 N6 -","- C70 H106 Co2 K2 N6 -","- C280 H424 Co8 K8 N24 -","4","0.5","","Keying Ding; Aaron W. Pierpont; William W. Brennessel; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Thomas R. Cundari; Eckhard Bill; Patrick L. Holland","Cobalt-Dinitrogen Complexes with Weakened N-N Bonds","Journal of the American Chemical Society","2009","131","","9471","9472","10.1021/ja808783u","","","0.71073","MoKα","","0.0832","0.0454","","","0.097","0.1061","","","","","","1.022","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104664","13.085","0.001","13.9206","0.0011","22.1213","0.0018","75.075","0.001","73.717","0.001","68.526","0.001","3544.8","0.5","193","2","193","2","","","","","","","","4","P -1","-P 1","2","holjs14","","","- C72.5 H112 Fe2 N6 -","- C72.5 H112 Fe2 N6 -","- C145 H224 Fe4 N12 -","2","1","","Keying Ding; Aaron W. Pierpont; William W. Brennessel; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Thomas R. Cundari; Eckhard Bill; Patrick L. Holland","Cobalt-Dinitrogen Complexes with Weakened N-N Bonds","Journal of the American Chemical Society","2009","131","","9471","9472","10.1021/ja808783u","","","0.71073","MoKα","","0.1103","0.075","","","0.1412","0.154","","","","","","1.131","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104665","25.993","0.006","25.993","0.006","31.681","0.007","90","","90","","90","","21405","8","80","2","80","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C68 H81 N24 O42.82 Pd3 -","- C68 H81 N24.668 O45.292 Pd3 -","- C544 H648 N197.344 O362.336 Pd24 -","8","0.5","","Jeremy K. Klosterman; Munetaka Iwamura; Tahei Tahara; Makoto Fujita","Energy Transfer in a Mechanically Trapped Exciplex","Journal of the American Chemical Society","2009","131","","9478","9479","10.1021/ja901674g","","","0.71073","MoKα","","0.1058","0.081","","","0.2147","0.2349","","","","","","1.1","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104666","13.1047","0.0005","13.3397","0.0005","26.0901","0.0009","90","","90.013","0.001","90","","4560.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H73 N6 O12 Tb -","- C38 H73 N6 O12 Tb -","- C152 H292 N24 O48 Tb4 -","4","1","","Morgan L. Cable; James P. Kirby; Dana J. Levine; Micah J. Manary; Harry B. Gray; Adrian Ponce","Detection of Bacterial Spores with Lanthanide-Macrocycle Binary Complexes","Journal of the American Chemical Society","2009","131","","9562","9570","10.1021/ja902291v","","","0.71073","MoKα","","0.09","0.0384","","","0.0639","0.0717","","","","","","1.077","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4104667","13.1473","0.0004","13.2269","0.0004","26.2248","0.0008","90","","90.054","0.001","90","","4560.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H72.25 Eu N6 O12 -","- C38 H72.37 Eu N6 O12 -","- C152 H289.48 Eu4 N24 O48 -","4","1","","Morgan L. Cable; James P. Kirby; Dana J. Levine; Micah J. Manary; Harry B. Gray; Adrian Ponce","Detection of Bacterial Spores with Lanthanide-Macrocycle Binary Complexes","Journal of the American Chemical Society","2009","131","","9562","9570","10.1021/ja902291v","","","0.71073","MoKα","","0.1187","0.0437","","","0.075","0.0854","","","","","","1.004","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4104668","13.1742","0.0004","13.186","0.0004","26.113","0.0008","90","","90.372","0.001","90","","4536.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H71 Dy N6 O12 -","- C38 H71 Dy N6 O12 -","- C152 H284 Dy4 N24 O48 -","4","1","","Morgan L. Cable; James P. Kirby; Dana J. Levine; Micah J. Manary; Harry B. Gray; Adrian Ponce","Detection of Bacterial Spores with Lanthanide-Macrocycle Binary Complexes","Journal of the American Chemical Society","2009","131","","9562","9570","10.1021/ja902291v","","","0.71073","MoKα","","0.0995","0.0408","","","0.0721","0.0806","","","","","","1.029","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4104669","13.0658","0.0004","13.4504","0.0004","26.1778","0.0007","90","","90.324","0.001","90","","4600.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37.75 H71 N6 O11.25 Sm -","- C37.731 H71 N6 O11.269 Sm -","- C150.924 H284 N24 O45.076 Sm4 -","4","1","","Morgan L. Cable; James P. Kirby; Dana J. Levine; Micah J. Manary; Harry B. Gray; Adrian Ponce","Detection of Bacterial Spores with Lanthanide-Macrocycle Binary Complexes","Journal of the American Chemical Society","2009","131","","9562","9570","10.1021/ja902291v","","","0.71073","MoKα","","0.0997","0.0422","","","0.0734","0.0821","","","","","","1.124","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4104670","10.4063","0.0004","15.4367","0.0005","27.923","0.001","90","","90","","90","","4485.5","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H23 B10 Cl Pd S2 -","- C16 H23 B10 Cl Pd S2 -","- C128 H184 B80 Cl8 Pd8 S16 -","8","1","","Alexander M. Spokoyny; Matthew G. Reuter; Charlotte L. Stern; Mark A. Ratner; Tamar Seideman; Chad A. Mirkin","Carborane-Based Pincers: Synthesis and Structure of SeBSe and SBS Pd(II) Complexes","Journal of the American Chemical Society","2009","131","","9482","9483","10.1021/ja902526k","","","0.71073","MoKα","","0.0578","0.0495","","","0.1073","0.1166","","","","","","1.239","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104671","12.4086","0.0003","11.5587","0.0002","16.2997","0.0003","90","","109.173","0.001","90","","2208.15","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 B10 Cl Pd Se2 -","- C16 H23 B10 Cl Pd Se2 -","- C64 H92 B40 Cl4 Pd4 Se8 -","4","1","","Alexander M. Spokoyny; Matthew G. Reuter; Charlotte L. Stern; Mark A. Ratner; Tamar Seideman; Chad A. Mirkin","Carborane-Based Pincers: Synthesis and Structure of SeBSe and SBS Pd(II) Complexes","Journal of the American Chemical Society","2009","131","","9482","9483","10.1021/ja902526k","","","0.71073","MoKα","","0.0362","0.0253","","","0.0606","0.0642","","","","","","1.143","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104672","13.9886","0.0011","7.4843","0.0004","14.8896","0.001","90","","112.969","0.003","90","","1435.27","0.17","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ba I5 Nb O16 -","- Ba I5 Nb O16 -","- Ba4 I20 Nb4 O64 -","4","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Ji-Bei Ling; Ting Hu; Fang Kong; Xi-Fa Long; Jiang-Gao Mao","BaNbO(IO3)5: A New Polar Material with a Very Large SHG Response","Journal of the American Chemical Society","2009","131","","9486","9487","10.1021/ja9030566","","","0.71073","MoKα","","0.032","0.0317","","","0.0837","0.084","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104673","13.0697","0.0002","13.5755","0.0003","18.2169","0.0003","87.206","0.001","77.527","0.001","64.003","0.001","2832.69","0.09","100","","100","","","","","","","","toluene","6","P -1","-P 1","2","","N-pyridine-tris(triphenylsiloxy)-molybdenum-nitride","","- C66 H58 Mo N2 O3 Si3 -","- C66 H50 Mo N2 O3 Si3 -","- C132 H100 Mo2 N4 O6 Si6 -","2","1","","Martin Bindl; Robert Stade; Eike K. Heilmann; Alexandre Picot; Richard Goddard; Alois Fürstner","Molybdenum Nitride Complexes with Ph3SiO Ligands Are Exceedingly Practical and Tolerant Precatalysts for Alkyne Metathesis and Efficient Nitrogen Transfer Agents","Journal of the American Chemical Society","2009","131","","9468","9470","10.1021/ja903259g","","","0.71073","MoKα","","0.0784","0.0586","","","0.1433","0.1565","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104674","12.2558","0.0001","15.2007","0.0001","23.4902","0.0002","90","","94.7499","0.0005","90","","4361.12","0.06","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H54 Cl2 N2 O Ru -","- C51 H54 Cl2 N2 O Ru -","- C204 H216 Cl8 N8 O4 Ru4 -","4","1","","Michele Gatti; Ludovic Vieille-Petit; Xinjun Luan; Ronaldo Mariz; Emma Drinkel; Anthony Linden; Reto Dorta","Impact of NHC Ligand Conformation and Solvent Concentration on the Ruthenium-Catalyzed Ring-Closing Metathesis Reaction","Journal of the American Chemical Society","2009","131","","9498","9499","10.1021/ja903554v","","","0.71073","MoKα","","0.0538","0.0346","","","0.0771","0.0864","","","","","","1.032","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104675","21.4578","0.0004","11.7706","0.0002","36.694","0.0007","90","","104.011","0.0008","90","","8992.1","0.3","160","1","160","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H58 Cl2 N2 O Ru -","- C51 H58 Cl2 N2 O Ru -","- C408 H464 Cl16 N16 O8 Ru8 -","8","1","","Michele Gatti; Ludovic Vieille-Petit; Xinjun Luan; Ronaldo Mariz; Emma Drinkel; Anthony Linden; Reto Dorta","Impact of NHC Ligand Conformation and Solvent Concentration on the Ruthenium-Catalyzed Ring-Closing Metathesis Reaction","Journal of the American Chemical Society","2009","131","","9498","9499","10.1021/ja903554v","","","0.71073","MoKα","","0.0517","0.0386","","","0.0863","0.0928","","","","","","1.025","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104676","19.153","0.012","6.945","0.004","19.384","0.013","90","","105.996","0.009","90","","2479","3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 B Br N2 -","- C26 H36 B Br N2 -","- C104 H144 B4 Br4 N8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.1086","0.0912","","","0.2386","0.257","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104677","7.4883","0.0002","9.4835","0.0001","18.5512","0.0004","77.6015","0.0008","86.8095","0.0012","80.4265","0.0012","1268.5","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 B I N2 -","- C26 H36 B I N2 -","- C52 H72 B2 I2 N4 -","2","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.71069","MoKα","","0.0168","0.0165","","","0.0421","0.0423","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104678","19.222","0.014","6.924","0.005","19.362","0.014","90","","105.271","0.003","90","","2486","3","103.15","","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 B Br N2 -","- C26 H38 B Br N2 -","- C104 H152 B4 Br4 N8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0688","0.0647","","","0.1569","0.1599","","","","","","1.111","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104679","17.0118","0.0011","19.5103","0.0011","18.357","0.0011","90","","90","","90","","6092.8","0.6","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H46 B Li N2 O2 -","- C30 H46 B Li N2 O2 -","- C240 H368 B8 Li8 N16 O16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.71069","MoKα","","0.1036","0.0814","","","0.2329","0.2575","","","","","","1.071","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104680","11.5625","0.001","19.603","0.002","28.941","0.002","90","","90","","90","","6559.8","1","103.15","","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H52 B Li N2 O2 -","- C34 H52 B Li N2 O2 -","- C272 H416 B8 Li8 N16 O16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0892","0.0874","","","0.1634","0.1642","","","","","","1.223","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104681","12.58","0.003","16.395","0.004","16.766","0.004","90","","90","","90","","3458","1.4","103.15","","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H54 B Li N2 O2 -","- C34 H54 B Li N2 O2 -","- C136 H216 B4 Li4 N8 O8 -","4","0.5","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.053","0.0481","","","0.114","0.1169","","","","","","1.139","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104682","11.19","0.011","17.754","0.017","18.41","0.018","90","","99.29","0.006","90","","3609","6","103.15","","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H54 B Li N2 O2 -","- C38 H54 B Li N2 O2 -","- C152 H216 B4 Li4 N8 O8 -","4","0.5","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.1072","0.0829","","","0.1853","0.1993","","","","","","1.155","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104683","18.891","0.005","15.567","0.004","16.711","0.005","90","","90","","90","","4914","2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H37 B N2 -","- C26 H37 B N2 -","- C208 H296 B8 N16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0717","0.0638","","","0.155","0.1633","","","","","","1.067","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104684","19.035","0.009","15.615","0.007","16.723","0.007","90","","90","","90","","4971","4","103.15","","103","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H39 B N2 -","- C26 H39 B N2 -","- C208 H312 B8 N16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.078","0.069","","","0.1372","0.1411","","","","","","1.276","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104685","10.45","0.006","12.028","0.009","12.684","0.007","69.23","0.05","67","0.05","75.57","0.06","1360.8","1.6","103.15","","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H39 B N2 -","- C30 H39 B N2 -","- C60 H78 B2 N4 -","2","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0834","0.0629","","","0.1622","0.1813","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104686","7.413","0.005","9.362","0.007","18.458","0.014","77.366","0.018","86.92","0.02","77.526","0.019","1220.4","1.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H39 B N2 -","- C27 H39 B N2 -","- C54 H78 B2 N4 -","2","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.1329","0.0925","","","0.2483","0.2771","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104687","12.099","0.004","13.535","0.004","18.125","0.006","90","","90","","90","","2968.1","1.6","103.15","","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 B N2 -","- C33 H43 B N2 -","- C132 H172 B4 N8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0363","0.0351","","","0.0841","0.0849","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104688","12.205","0.003","13.677","0.003","17.907","0.004","90","","90","","90","","2989.2","1.2","103.15","","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 B N2 O -","- C33 H43 B N2 O -","- C132 H172 B4 N8 O4 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0419","0.0402","","","0.1034","0.1051","","","","","","1.086","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104689","12.66","0.006","15.48","0.008","14.755","0.007","90","","90.479","0.002","90","","2892","2","103.15","","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H41 B N2 O -","- C33 H41 B N2 O -","- C132 H164 B4 N8 O4 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0782","0.0572","","","0.1295","0.1415","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104690","9.294","0.004","11.154","0.004","14.663","0.006","81.83","0.011","82.698","0.011","85.549","0.011","1489.7","1","103.15","","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H43 B N2 O -","- C33 H43 B N2 O -","- C66 H86 B2 N4 O2 -","2","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0825","0.0554","","","0.1337","0.1498","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104691","9.3","0.003","12.312","0.004","25.655","0.008","90","","94.2715","0.0014","90","","2929.4","1.6","103.15","","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H45 B N2 O2 -","- C31 H45 B N2 O2 -","- C124 H180 B4 N8 O8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0641","0.0559","","","0.1134","0.1174","","","","","","1.189","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104692","9.474","0.004","10.358","0.005","16.62","0.009","81.12","0.03","74.61","0.03","71.7","0.02","1488.4","1.3","103.15","","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H41 B N2 O2 -","- C33 H41 B N2 O2 -","- C66 H82 B2 N4 O4 -","2","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0949","0.0653","","","0.1472","0.1659","","","","","","1.154","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104693","18.522","0.004","15.505","0.004","16.871","0.004","90","","90","","90","","4845","2","103.15","","103","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H37 B N2 O -","- C26 H37 B N2 O -","- C208 H296 B8 N16 O8 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0796","0.0725","","","0.1389","0.142","","","","","","1.287","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104694","13.378","0.01","12.642","0.009","16.528","0.011","90","","95.338","0.005","90","","2783","3","103.15","","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 B N2 -","- C32 H41 B N2 -","- C128 H164 B4 N8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0633","0.0498","","","0.1071","0.1137","","","","","","1.108","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104695","7.9585","0.0004","7.5081","0.0004","18.6463","0.001","90","","90","","90","","1114.18","0.1","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Cl N -","- C11 H16 Cl N -","- C44 H64 Cl4 N4 -","4","1","","Mark R. Crimmin; Merle Arrowsmith; Anthony G. M. Barrett; Ian J. Casely; Michael S. Hill; Panayiotis A. Procopiou","Intramolecular Hydroamination of Aminoalkenes by Calcium and Magnesium Complexes: A Synthetic and Mechanistic Study","Journal of the American Chemical Society","2009","131","","9670","9685","10.1021/ja9003377","","x-ray","0.71073","MoKα","","0.0795","0.0523","","","0.1162","0.1287","","","","","","1.008","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104696","16.6728","0.0005","13.871","0.0005","18.4067","0.0006","90","","107.207","0.0012","90","","4066.4","0.2","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C29 H18 B F4 N -","- C29 H18 B F4 N -","- C232 H144 B8 F32 N8 -","8","2","","Dongqing Wu; Wojciech Pisula; Volker Enkelmann; Xinliang Feng; Klaus Müllen","Controllable Columnar Organization of Positively Charged Polycyclic Aromatic Hydrocarbons by Choice of Counterions","Journal of the American Chemical Society","2009","131","","9620","9621","10.1021/ja902420u","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104697","17.5903","0.0006","13.7262","0.0005","23.4413","0.0007","90","","100.24","","90","","5569.7","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H58 N2 O9 S2 -","- C73 H58 N2 O9 S2 -","- C292 H232 N8 O36 S8 -","4","1","","Dongqing Wu; Wojciech Pisula; Volker Enkelmann; Xinliang Feng; Klaus Müllen","Controllable Columnar Organization of Positively Charged Polycyclic Aromatic Hydrocarbons by Choice of Counterions","Journal of the American Chemical Society","2009","131","","9620","9621","10.1021/ja902420u","","","0.71073","MoKα","","0.0527","0.0538","","0.0534","0.0534","0.0534","","","","","","0.7939","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104698","10.1185","0.0006","12.5498","0.0006","19.3212","0.0014","90","","102.632","0.005","90","","2394.1","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H54 F12 N6 O P2 Ru -","- C44 H54 F12 N6 O P2 Ru -","- C88 H108 F24 N12 O2 P4 Ru2 -","2","1","","Lei Gong; Seann P. Mulcahy; Klaus Harms; Eric Meggers","Chiral-Auxiliary-Mediated Asymmetric Synthesis of Tris-Heteroleptic Ruthenium Polypyridyl Complexes","Journal of the American Chemical Society","2009","131","","9602","9603","10.1021/ja9031665","","","0.71073","MoKα","","0.075","0.053","","","0.1026","0.1098","","","","","","0.952","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104699","15.2056","0.0012","13.6226","0.0006","36.577","0.003","90","","98.17","0.006","90","","7499.7","0.9","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C35 H36 Cl2 F6 N5 O2 P Ru -","- C35 H36 Cl2 F6 N5 O2 P Ru -","- C280 H288 Cl16 F48 N40 O16 P8 Ru8 -","8","2","","Lei Gong; Seann P. Mulcahy; Klaus Harms; Eric Meggers","Chiral-Auxiliary-Mediated Asymmetric Synthesis of Tris-Heteroleptic Ruthenium Polypyridyl Complexes","Journal of the American Chemical Society","2009","131","","9602","9603","10.1021/ja9031665","","","0.71073","MoKα","","0.1488","0.0845","","","0.1774","0.1989","","","","","","0.862","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104700","11.36","0.011","27.82","0.02","12.44","0.012","90","","109.908","0.01","90","","3697","6","113.1","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C55 H59 Cl2 F6 Mn4 N7 O24 S2 -","- C55.54 H48 Cl2 F5.82 Mn4 N6.9 O24.3 S2 -","- C111.08 H96 Cl4 F11.64 Mn8 N13.8 O48.6 S4 -","2","0.5","","Masakazu Morimoto; Hitoshi Miyasaka; Masahiro Yamashita; Masahiro Irie","Coordination Assemblies of [Mn4] Single-Molecule Magnets Linked by Photochromic Ligands: Photochemical Control of the Magnetic Properties","Journal of the American Chemical Society","2009","131","","9823","9835","10.1021/ja903366d","","","0.7107","MoK?","","","0.0959","","","","0.1983","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104701","32.5","0.02","14.219","0.008","14.468","0.009","90","","104.848","0.006","90","","6463","7","93.1","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C53 H56 Cl2 F6 Mn4 N6 O24 S2 -","- C53 H44 Cl2 F6 Mn4 N6 O24 S2 -","- C212 H176 Cl8 F24 Mn16 N24 O96 S8 -","4","0.5","","Masakazu Morimoto; Hitoshi Miyasaka; Masahiro Yamashita; Masahiro Irie","Coordination Assemblies of [Mn4] Single-Molecule Magnets Linked by Photochromic Ligands: Photochemical Control of the Magnetic Properties","Journal of the American Chemical Society","2009","131","","9823","9835","10.1021/ja903366d","","","0.7107","MoKa","","","0.0601","","","","0.1489","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104702","10.6583","0.0004","9.8999","0.0004","12.4412","0.0007","90","","109.694","0.0019","90","","1235.96","0.1","93.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 N2 O P -","- C30 H27 N2 O P -","- C60 H54 N4 O2 P2 -","2","1","","Liang Yin; Motomu Kanai; Masakatsu Shibasaki","Nucleophile Generation via Decarboxylation: Asymmetric Construction of Contiguous Trisubstituted and Quaternary Stereocenters through a Cu(I)-Catalyzed Decarboxylative Mannich-Type Reaction","Journal of the American Chemical Society","2009","131","","9610","9611","10.1021/ja9036675","","","1.54187","CuKα","","","0.0581","","","","0.139","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104703","8.3136","0.0002","8.7575","0.0002","10.6508","0.0003","78.823","0.001","67.434","0.001","62.095","0.001","632.72","0.03","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H37 N O6 -","- C30 H37 N O6 -","- C30 H37 N O6 -","1","1","","Mohammad Movassaghi; Meiliana Tjandra; Jun Qi","Total Synthesis of (-)-Himandrine","Journal of the American Chemical Society","2009","131","","9648","9650","10.1021/ja903790y","","","1.54178","CuKα","","0.0273","0.0268","","","0.0704","0.0707","","","","","","1.05","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104704","19.342","0.0002","21.149","0.0002","20.209","0.0002","90","","104.358","0.001","90","","8008.56","0.14","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C76 H93 B F24 N8 Ru -","- C76 H93 B F24 N8 Ru -","- C304 H372 B4 F96 N32 Ru4 -","4","1","","L. Jonas L. Häller; Elena Mas-Marzá; Aitor Moreno; John P. Lowe; Stuart A. Macgregor; Mary F. Mahon; Paul S. Pregosin; Michael K. Whittlesey","Formation of [Ru(NHC)4(η2-O2)H]+: An Unusual, High Frequency Hydride Chemical Shift and Facile, Reversible Coordination of O2","Journal of the American Chemical Society","2009","131","","9618","9619","10.1021/ja9039345","","","0.71073","MoKα","","0.0825","0.0533","","","0.1183","0.1355","","","","","","1.048","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104705","19.049","0.0002","21.272","0.0003","20.325","0.0003","90","","103.628","0.001","90","","8004.03","0.19","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C76 H93 B F24 N8 O2 Ru -","- C76 H92 B F24 N8 O2 Ru -","- C304 H368 B4 F96 N32 O8 Ru4 -","4","1","","L. Jonas L. Häller; Elena Mas-Marzá; Aitor Moreno; John P. Lowe; Stuart A. Macgregor; Mary F. Mahon; Paul S. Pregosin; Michael K. Whittlesey","Formation of [Ru(NHC)4(η2-O2)H]+: An Unusual, High Frequency Hydride Chemical Shift and Facile, Reversible Coordination of O2","Journal of the American Chemical Society","2009","131","","9618","9619","10.1021/ja9039345","","","0.71073","MoKα","","0.134","0.0673","","","0.1492","0.1796","","","","","","1.066","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104706","19.572","0.0003","21.174","0.0003","20.244","0.0003","90","","104.875","0.001","90","","8108.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C77 H93 B F24 N8 O Ru -","- C77 H92 B F24 N8 O Ru -","- C308 H368 B4 F96 N32 O4 Ru4 -","4","1","","L. Jonas L. Häller; Elena Mas-Marzá; Aitor Moreno; John P. Lowe; Stuart A. Macgregor; Mary F. Mahon; Paul S. Pregosin; Michael K. Whittlesey","Formation of [Ru(NHC)4(η2-O2)H]+: An Unusual, High Frequency Hydride Chemical Shift and Facile, Reversible Coordination of O2","Journal of the American Chemical Society","2009","131","","9618","9619","10.1021/ja9039345","","","0.71073","MoKα","","0.1121","0.0664","","","0.1453","0.1739","","","","","","1.057","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104707","6.245","0.003","8.43","0.01","20.3","0.01","90","","90.82","0.03","90","","1068.6","1.5","","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetrathiafulvalene-2-carboxylic acid_ammonium salt","","- C7 H7 N O2 S4 -","- C7 H7 N O2 S4 -","- C28 H28 N4 O8 S16 -","4","2","","Yuka Kobayashi; Mayu Yoshioka; Kazuhiko Saigo; Daisuke Hashizume; Takashi Ogura","Hydrogen-Bonding-Assisted Self-Doping in Tetrathiafulvalene (TTF) Conductor","Journal of the American Chemical Society","2009","131","","9995","10002","10.1021/ja809425b","powder diffraction","","1.3038","synchrotron","","0.0404","","","","","","","0.0913","4.7024","","","","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104708","21.123","0.003","11.8915","0.0017","14.321","0.002","90","","90","","90","","3597.2","0.9","173","2","173","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C68 H67 Br2 Cl2 D10 N2 O4.5 P2 Pd2 -","- C68 Br2 Cl2 D77 N2 O4.5 P2 Pd2 -","- C136 Br4 Cl4 D154 N4 O9 P4 Pd4 -","2","0.5","","Craig P. Butts; Emane Filali; Guy C. Lloyd-Jones; Per-Ola Norrby; David A. Sale; York Schramm","Structure-Based Rationale for Selectivity in the Asymmetric Allylic Alkylation of Cycloalkenyl Esters Employing the Trost 'Standard Ligand' (TSL): Isolation, Analysis and Alkylation of the Monomeric form of the Cationic η3-Cyclohexenyl Complex [(η3-c-C6H9)Pd(TSL)]+","Journal of the American Chemical Society","2009","131","","9945","9957","10.1021/ja8099757","","","0.71073","MoKα","","0.0242","0.0237","","","0.0636","0.0639","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104709","23.061","0.01","13.414","0.01","14.877","0.01","90","","127.395","0.01","90","","3656","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H55 Au Cl P2 -","- C39.45 H60 Au Cl P2 -","- C157.8 H240 Au4 Cl4 P8 -","4","0.5","","David V. Partyka; Marlena P. Washington; Thomas G. Gray; James B. Updegraff III; John F. Turner; John D. Protasiewicz","Unusual Phosphorus-Phosphorus Double Bond Contraction upon Mono- and Di-auration of a Diphosphene","Journal of the American Chemical Society","2009","131","","10041","10048","10.1021/ja900813v","","","0.71073","MoKα","","0.0728","0.0556","","","0.1451","0.1629","","","","","","1.281","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104710","8.8414","0.0013","9.2149","0.0014","12.2231","0.0014","99.669","0.002","99.41","0.002","99.408","0.003","949.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H58 Au2 Cl2 P2 -","- C36 H58 Au2 Cl2 P2 -","- C36 H58 Au2 Cl2 P2 -","1","0.5","","David V. Partyka; Marlena P. Washington; Thomas G. Gray; James B. Updegraff III; John F. Turner; John D. Protasiewicz","Unusual Phosphorus-Phosphorus Double Bond Contraction upon Mono- and Di-auration of a Diphosphene","Journal of the American Chemical Society","2009","131","","10041","10048","10.1021/ja900813v","","","0.71073","MoKα","","0.0534","0.0461","","","0.1284","0.1376","","","","","","1.121","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104711","18.502","0.0012","18.502","0.0012","36.985","0.005","90","","90","","90","","12661","2","220","2","220","2","","","","","","","","4","I 41/a :2","-I 4ad","88","dimer","dimer","","- C30 H46 N2 O6 -","- C30 H46 N2 O6 -","- C480 H736 N32 O96 -","16","1","","Christoph Riplinger; Joseph P. Y. Kao; Gerald M. Rosen; Velavan Kathirvelu; Gareth R. Eaton; Sandra S. Eaton; Andrei Kutateladze; Frank Neese","Interaction of Radical Pairs Through-Bond and Through-Space: Scope and Limitations of the Point-Dipole Approximation in Electron Paramagnetic Resonance Spectroscopy","Journal of the American Chemical Society","2009","131","","10092","10106","10.1021/ja901150j","","","0.71073","MoKα","","0.0879","0.0542","","","0.109","0.1221","","","","","","1","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104712","8.82","0.0004","10.6264","0.0004","50.784","0.002","90","","90","","90","","4759.7","0.3","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H32 N16 Tb -","- C64 H32 N16 Tb -","- C256 H128 N64 Tb4 -","4","1","","Keiichi Katoh; Yusuke Yoshida; Masahiro Yamashita; Hitoshi Miyasaka; Brian K. Breedlove; Takashi Kajiwara; Shinya Takaishi; Naoto Ishikawa; Hironari Isshiki; Yan Feng Zhang; Tadahiro Komeda; Masakazu Yamagishi; Jun Takeya","Direct Observation of Lanthanide(III)-Phthalocyanine Molecules on Au(111) by Using Scanning Tunneling Microscopy and Scanning Tunneling Spectroscopy and Thin-Film Field-Effect Transistor Properties of Tb(III)- and Dy(III)-Phthalocyanine Molecules","Journal of the American Chemical Society","2009","131","","9967","9976","10.1021/ja902349t","","","0.7107","MoKα","","","0.0608","","","","0.1333","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104713","8.8121","0.0002","10.6081","0.0003","50.7087","0.0015","90","","90","","90","","4740.2","0.2","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H32 Dy N16 -","- C64 H32 Dy N16 -","- C256 H128 Dy4 N64 -","4","1","","Keiichi Katoh; Yusuke Yoshida; Masahiro Yamashita; Hitoshi Miyasaka; Brian K. Breedlove; Takashi Kajiwara; Shinya Takaishi; Naoto Ishikawa; Hironari Isshiki; Yan Feng Zhang; Tadahiro Komeda; Masakazu Yamagishi; Jun Takeya","Direct Observation of Lanthanide(III)-Phthalocyanine Molecules on Au(111) by Using Scanning Tunneling Microscopy and Scanning Tunneling Spectroscopy and Thin-Film Field-Effect Transistor Properties of Tb(III)- and Dy(III)-Phthalocyanine Molecules","Journal of the American Chemical Society","2009","131","","9967","9976","10.1021/ja902349t","","","0.7107","MoKα","","","0.0504","","","","0.1082","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104714","8.835","0.003","10.616","0.004","50.789","0.017","90","","90","","90","","4764","3","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H32 N16 Y -","- C64 H32 N16 Y -","- C256 H128 N64 Y4 -","4","1","","Keiichi Katoh; Yusuke Yoshida; Masahiro Yamashita; Hitoshi Miyasaka; Brian K. Breedlove; Takashi Kajiwara; Shinya Takaishi; Naoto Ishikawa; Hironari Isshiki; Yan Feng Zhang; Tadahiro Komeda; Masakazu Yamagishi; Jun Takeya","Direct Observation of Lanthanide(III)-Phthalocyanine Molecules on Au(111) by Using Scanning Tunneling Microscopy and Scanning Tunneling Spectroscopy and Thin-Film Field-Effect Transistor Properties of Tb(III)- and Dy(III)-Phthalocyanine Molecules","Journal of the American Chemical Society","2009","131","","9967","9976","10.1021/ja902349t","","","0.7107","MoKα","","","0.0721","","","","0.1576","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104715","12.9583","0.0008","10.9835","0.0007","12.9596","0.0007","90","","90","","90","","1844.51","0.19","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Sodium Mercury Stannide","","","- Hg2.39 Na5 Sn9.61 -","- Hg2.39 Na5 Sn9.61 -","- Hg9.56 Na20 Sn38.44 -","4","0.5","","Siméon Ponou; Sung-Jin Kim; Thomas F. Fässler","Synthesis and Characterization of Na5M2+xSn10-x (x~ 0.5, M = Zn, Hg) - A Doped Tetrahedral Framework Structure","Journal of the American Chemical Society","2009","131","","10246","10252","10.1021/ja902664c","","","0.71073","MoKα","","0.0474","0.0329","","","0.0761","0.0784","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104716","12.7717","0.0007","10.8042","0.0007","12.7774","0.0009","90","","90","","90","","1763.13","0.19","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Na5 Sn9.72 Zn2.28 -","- Na5 Sn9.722 Zn2.278 -","- Na20 Sn38.888 Zn9.112 -","4","0.5","","Siméon Ponou; Sung-Jin Kim; Thomas F. Fässler","Synthesis and Characterization of Na5M2+xSn10-x (x~ 0.5, M = Zn, Hg) - A Doped Tetrahedral Framework Structure","Journal of the American Chemical Society","2009","131","","10246","10252","10.1021/ja902664c","","","0.71073","MoKα","","0.0481","0.0353","","","0.0696","0.0716","","","","","","1.219","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104717","10.48","0.002","13.107","0.003","13.399","0.003","114.54","0.03","92.11","0.03","102.31","0.03","1619.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Cu2 F12 N2 O9 -","- C26 H16 Cu2 F12 N2 O9 -","- C52 H32 Cu4 F24 N4 O18 -","2","1","","Andrew Ozarowski; Iwona B. Szymańska; Tadeusz Muzioł; Julia Jezierska","High-Field EPR and Magnetic Susceptibility Studies on Binuclear and Tetranuclear Copper Trifluoroacetate Complexes. X-ray Structure Determination of Three Tetranuclear Quinoline Adducts of Copper(II) Trifluoroacetate","Journal of the American Chemical Society","2009","131","","10279","10292","10.1021/ja902695y","","","0.71073","MoKα","","0.0723","0.0465","","","0.1104","0.1233","","","","","","0.98","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104718","15.278","0.003","23.227","0.005","34.895","0.007","90","","90","","90","","12383","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52.2 H32.8 Cu4 F18 N4 O13 -","- C52.2 H28 Cu4 F18 N4 O13 -","- C417.6 H224 Cu32 F144 N32 O104 -","8","1","","Andrew Ozarowski; Iwona B. Szymańska; Tadeusz Muzioł; Julia Jezierska","High-Field EPR and Magnetic Susceptibility Studies on Binuclear and Tetranuclear Copper Trifluoroacetate Complexes. X-ray Structure Determination of Three Tetranuclear Quinoline Adducts of Copper(II) Trifluoroacetate","Journal of the American Chemical Society","2009","131","","10279","10292","10.1021/ja902695y","","","0.71073","MoKα","","0.1098","0.1049","","","0.2294","0.233","","","","","","1.266","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104719","21.933","0.004","11.176","0.002","23.927","0.005","90","","97.41","0.03","90","","5816","2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C52.8 H32.8 Cu4 F18 N4 O13 -","- C50 H28 Cu4 F18 N4 O13 -","- C200 H112 Cu16 F72 N16 O52 -","4","1","","Andrew Ozarowski; Iwona B. Szymańska; Tadeusz Muzioł; Julia Jezierska","High-Field EPR and Magnetic Susceptibility Studies on Binuclear and Tetranuclear Copper Trifluoroacetate Complexes. X-ray Structure Determination of Three Tetranuclear Quinoline Adducts of Copper(II) Trifluoroacetate","Journal of the American Chemical Society","2009","131","","10279","10292","10.1021/ja902695y","","","0.71073","MoKα","","0.1085","0.0845","","","0.2032","0.224","","","","","","1.114","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104720","22.2245","0.0002","12.7995","0.0001","23.5634","0.0002","90","","116.462","0.0005","90","","6000.62","0.09","200","","200","","","","","","","","local","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 Cl N O4 P4 Ru -","- C70 H60 Cl N O4 P4 Ru -","- C280 H240 Cl4 N4 O16 P16 Ru4 -","4","1","","Bandar Babgi; Luca Rigamonti; Marie P. Cifuentes; T. Christopher Corkery; Michael D. Randles; Torsten Schwich; Simon Petrie; Robert Stranger; Ayele Teshome; Inge Asselberghs; Koen Clays; Marek Samoc; Mark G. Humphrey","Length-Dependent Convergence and Saturation Behavior of Electrochemical, Linear Optical, Quadratic Nonlinear Optical, and cubic Nonlinear Optical Properties of Dipolar Alkynylruthenium Complexes with Oligo(phenyleneethynylene) Bridges","Journal of the American Chemical Society","2009","131","","10293","10307","10.1021/ja902793z","","","0.71073","MoKα","","0.0565","0.0425","","0.2097","0.1517","0.2097","","","","","","0.7401","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104721","11.249","0.002","17.344","0.003","18.91","0.004","90","","97.509","0.002","90","","3657.8","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H57 Fe Lu N2 O Si2 -","- C35 H57 Fe Lu N2 O Si2 -","- C140 H228 Fe4 Lu4 N8 O4 Si8 -","4","1","","Colin T. Carver; Diego Benitez; Kevin L. Miller; Bryan N. Williams; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","Reactions of Group III Biheterocyclic Complexes","Journal of the American Chemical Society","2009","131","","10269","10278","10.1021/ja902794w","","","0.71073","MoKα","","0.0384","0.0269","","","0.0538","0.0577","","","","","","1.031","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104722","16.1271","0.0019","10.5039","0.0013","27.189","0.003","90","","95.68","0.001","90","","4583.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H63 Fe N4 Sc Si2 -","- C50 H63 Fe N4 Sc Si2 -","- C200 H252 Fe4 N16 Sc4 Si8 -","4","1","","Colin T. Carver; Diego Benitez; Kevin L. Miller; Bryan N. Williams; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","Reactions of Group III Biheterocyclic Complexes","Journal of the American Chemical Society","2009","131","","10269","10278","10.1021/ja902794w","","","0.71073","MoKα","","0.1209","0.0544","","","0.0996","0.1237","","","","","","0.992","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104723","16.782","0.003","13.647","0.002","18.368","0.003","90","","109.108","0.002","90","","3974.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H55 Fe N4 Sc Si2 -","- C43 H55 Fe N4 Sc Si2 -","- C172 H220 Fe4 N16 Sc4 Si8 -","4","1","","Colin T. Carver; Diego Benitez; Kevin L. Miller; Bryan N. Williams; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","Reactions of Group III Biheterocyclic Complexes","Journal of the American Chemical Society","2009","131","","10269","10278","10.1021/ja902794w","","","0.71073","MoKα","","0.0902","0.0447","","","0.1019","0.1197","","","","","","1.012","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104724","11.5417","0.0017","33.162","0.005","11.1501","0.0017","90","","110.935","0.002","90","","3985.9","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H55 Fe N4 Sc Si2 -","- C42 H55 Fe N4 Sc Si2 -","- C168 H220 Fe4 N16 Sc4 Si8 -","4","1","","Colin T. Carver; Diego Benitez; Kevin L. Miller; Bryan N. Williams; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","Reactions of Group III Biheterocyclic Complexes","Journal of the American Chemical Society","2009","131","","10269","10278","10.1021/ja902794w","","","0.71073","MoKα","","0.156","0.0843","","","0.1983","0.2331","","","","","","1.036","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104725","21.624","0.001","18.57","0.001","27.038","0.002","90","","94.238","0.001","90","","10827.6","1.1","153.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H70 B2 F48 Pd8 -","- C104 H58 B2 F48 Pd8 -","- C416 H232 B8 F192 Pd32 -","4","0.5","","Tetsuro Murahashi; Ryou Inoue; Kentaro Usui; Sensuke Ogoshi","Square Tetrapalladium Sheet Sandwich Complexes: Cyclononatetraenyl as a Versatile Face-Capping Ligand","Journal of the American Chemical Society","2009","131","","9888","9889","10.1021/ja903679f","","","0.7107","MoKα","","","0.0861","","","","0.239","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104726","9.265","0.0002","13.355","0.0006","18.832","0.0008","98.802","0.002","98.343","0.002","99.888","0.003","2233.09","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","(CO)2Rh(Si3C2)","","- C35 H73 O2 Rh Si6 -","- C35 H73 O2 Rh Si6 -","- C70 H146 O4 Rh2 Si12 -","2","1","","Hiroyuki Yasuda; Vladimir Ya. Lee; Akira Sekiguchi","η5-1,2,3-Trisilacyclopentadienyl - A Ligand for Transition Metal Complexes: Rhodium Half-Sandwich and Ruthenium Sandwich","Journal of the American Chemical Society","2009","131","","9902","9903","10.1021/ja9038664","","","0.7107","MoKα","","0.0436","0.0362","","","0.0945","0.0979","","","","","","1.025","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104727","7.3945","0.0003","17.416","0.0006","8.8582","0.0003","90","","90.934","0.001","90","","1140.63","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O -","- C13 H15 N O -","- C52 H60 N4 O4 -","4","2","","Alexander M. Taylor; Ryan A. Altman; Stephen L. Buchwald","Palladium-Catalyzed Enantioselective α-Arylation and α-Vinylation of Oxindoles Facilitated by an Axially Chiral P-Stereogenic Ligand","Journal of the American Chemical Society","2009","131","","9900","9901","10.1021/ja903880q","","","1.54178","CuKα","","0.0307","0.0307","","","0.0848","0.0848","","","","","","1.095","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104728","11.989","0.002","16.896","0.003","17.378","0.004","90","","90","","90","","3520.2","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Al3 Br2 Cl12 S8 Sb7 -","- Al3 Br2 Cl12 S8 Sb7 -","- Al12 Br8 Cl48 S32 Sb28 -","4","1","","Qichun Zhang; In Chung; Joon I. Jang; John B. Ketterson; Mercouri G. Kanatzidis","Chalcogenide Chemistry in Ionic Liquids: Nonlinear Optical Wave-Mixing Properties of the Double-Cubane Compound [Sb7S8Br2](AlCl4)3","Journal of the American Chemical Society","2009","131","","9896","9897","10.1021/ja903881m","","","0.71073","MoKα","","0.0396","0.0361","","","0.0847","0.086","","","","","","1.126","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104729","7.9858","0.0001","9.1574","0.0002","9.4523","","62.025","0.006","82.335","0.007","72.873","0.007","583.39","0.04","113.1","","","","","","","","","","","5","P -1","-P 1","2","(NH4)2(adp)[Zn2(ox)3](H2O)3","","","- C12 H24 N2 O19 Zn2 -","- C12 N2 O19 Zn2 -","- C12 N2 O19 Zn2 -","1","0.5","","Masaaki Sadakiyo; Teppei Yamada; Hiroshi Kitagawa","Rational Designs for Highly Proton-Conductive Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","9906","9907","10.1021/ja9040016","","","0.7107","MoKα","","","0.0429","","","","0.1779","","","","","","1.337","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104730","9.5265","0.0004","11.6603","0.0005","14.3458","0.0007","76.604","0.001","89.071","0.001","87.194","0.001","1548.32","0.12","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H27 B F15 N2 O P -","- C30 H27 B F15 N2 O P -","- C60 H54 B2 F30 N4 O2 P2 -","2","1","","Edwin Otten; Rebecca C. Neu; Douglas W. Stephan","Complexation of Nitrous Oxide by Frustrated Lewis Pairs","Journal of the American Chemical Society","2009","131","","9918","9919","10.1021/ja904377v","","","0.71073","MoKα","","0.0322","0.0286","","","0.0751","0.0778","","","","","","1.013","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104731","10.3832","0.0008","11.9066","0.0009","14.5601","0.0012","70.621","0.004","76.818","0.004","65.912","0.004","1541.2","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 B F10 N2 O P -","- C30 H32 B F10 N2 O P -","- C60 H64 B2 F20 N4 O2 P2 -","2","1","","Edwin Otten; Rebecca C. Neu; Douglas W. Stephan","Complexation of Nitrous Oxide by Frustrated Lewis Pairs","Journal of the American Chemical Society","2009","131","","9918","9919","10.1021/ja904377v","","","0.71073","MoKα","","0.0546","0.0377","","","0.1043","0.1151","","","","","","1.021","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104732","15.2657","0.0016","14.4366","0.0015","14.4993","0.0015","90","","102.217","0.001","90","","3123.1","0.6","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jonrr09","Tp*Rh(CNneopentyl)(CH2CH2CHCl)Cl","","- C25 H41 B Cl4 N7 Rh -","- C25 H41 B Cl4 N7 Rh -","- C100 H164 B4 Cl16 N28 Rh4 -","4","1","","Andrew J. Vetter; Ryan D. Rieth; William W. Brennessel; William D. Jones","Selective C-H Activation of Haloalkanes using a Rhodiumtrispyrazolylborate Complex","Journal of the American Chemical Society","2009","131","","10742","10752","10.1021/ja9002316","","","0.71073","MoKα","","0.1085","0.0598","","","0.1399","0.1633","","","","","","1.023","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104733","15.9656","0.0014","11.1054","0.001","17.0087","0.0015","90","","92.865","0.002","90","","3011.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","JONAV09","Tp*Rh(CNneopentyl)(CH2Cl)Cl","","- C22 H35 B Cl2 N7 Rh -","- C22 H35 B Cl2 N7 Rh -","- C88 H140 B4 Cl8 N28 Rh4 -","4","1","","Andrew J. Vetter; Ryan D. Rieth; William W. Brennessel; William D. Jones","Selective C-H Activation of Haloalkanes using a Rhodiumtrispyrazolylborate Complex","Journal of the American Chemical Society","2009","131","","10742","10752","10.1021/ja9002316","","","0.71073","MoKα","","0.0574","0.0402","","","0.103","0.1075","","","","","","1.036","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104734","9.0905","0.0006","29.6972","0.0017","10.6304","0.0006","90","","109.9","0.001","90","","2698.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","JONAV12","Tp*Rh(CNneopentyl)(CHCl2)Cl","","- C22 H34 B Cl3 N7 Rh -","- C22 H34 B Cl3 N7 Rh -","- C88 H136 B4 Cl12 N28 Rh4 -","4","1","","Andrew J. Vetter; Ryan D. Rieth; William W. Brennessel; William D. Jones","Selective C-H Activation of Haloalkanes using a Rhodiumtrispyrazolylborate Complex","Journal of the American Chemical Society","2009","131","","10742","10752","10.1021/ja9002316","","","0.71073","MoKα","","0.0241","0.0228","","","0.0571","0.0576","","","","","","1.129","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104735","8.8138","0.0007","10.9244","0.0009","31.42","0.002","90","","90.574","0.001","90","","3025.1","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","jonav11","Tp*Rh(CNneopentyl)(CH2CH2CH2CH2CH2F)Cl","","- C26 H40 B Cl F N7 Rh -","- C26 H40 B Cl F N7 Rh -","- C104 H160 B4 Cl4 F4 N28 Rh4 -","4","1","","Andrew J. Vetter; Ryan D. Rieth; William W. Brennessel; William D. Jones","Selective C-H Activation of Haloalkanes using a Rhodiumtrispyrazolylborate Complex","Journal of the American Chemical Society","2009","131","","10742","10752","10.1021/ja9002316","","","0.71073","MoKα","","0.0414","0.0389","","","0.1146","0.1162","","","","","","1.023","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104736","11.638","0.003","19.638","0.004","12.081","0.003","90","","105.992","0.003","90","","2654.2","1.1","213","2","213","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C50 H74 Cl3 Li N2 O4 U -","- C50 H75 Cl3 Li N2 O4 U -","- C100 H150 Cl6 Li2 N4 O8 U2 -","2","0.5","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.0538","0.0422","","","0.1139","0.1221","","","","","","1.086","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104737","20.987","0.006","22.191","0.006","11.62","0.003","90","","90","","90","","5412","3","198","2","198","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C50 H74 Cl3 Li2 N2 O4 U -","- C50 H74 Cl3 Li2 N2 O4 U -","- C200 H296 Cl12 Li8 N8 O16 U4 -","4","0.5","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.0839","0.0515","","","0.1283","0.1506","","","","","","1.047","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104738","12.078","0.003","12.843","0.004","18.629","0.005","74.947","0.004","89.875","0.005","62.15","0.004","2443.2","1.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H70 Cl2 Li N2 O3 U -","- C46 H70 Cl2 Li N2 O3 U -","- C92 H140 Cl4 Li2 N4 O6 U2 -","2","1","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.0962","0.0636","","","0.152","0.1693","","","","","","1.026","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104739","10.944","0.004","12.922","0.005","18.617","0.009","70.233","0.006","80.328","0.008","67.287","0.006","2283.4","1.6","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H65 Cl2 Li N2 O3 U -","- C46 H65 Cl2 Li N2 O3 U -","- C92 H130 Cl4 Li2 N4 O6 U2 -","2","1","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.1151","0.0717","","","0.1497","0.1682","","","","","","1.084","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104740","13.2626","0.0015","26.292","0.003","17.4106","0.0019","90","","95.039","0.002","90","","6047.6","1.2","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H89 Cl Li2 N2 O9 U -","- C54 H89 Cl Li2 N2 O9 U -","- C216 H356 Cl4 Li8 N8 O36 U4 -","4","1","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.1209","0.0704","","","0.1517","0.173","","","","","","1.013","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104741","11.302","0.003","12.323","0.003","20.387","0.005","96.782","0.004","92.6","0.005","94.776","0.005","2805.4","1.2","208","2","208","2","","","","","","","","7","P -1","-P 1","2","","","","- C50.42 H82.28 Cl1.58 Li N2 O8.43 U -","- C50.43 H82.29 Cl1.57 Li N2 O8.43 U -","- C100.86 H164.58 Cl3.14 Li2 N4 O16.86 U2 -","2","1","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.0973","0.0644","","","0.1441","0.1551","","","","","","1.094","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104742","13.85","0.003","22.875","0.005","14.573","0.003","90","","111.063","0.003","90","","4308.5","1.6","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 N2 Na2 O5 U -","- C41 H60 N2 Na2 O5 U -","- C164 H240 N8 Na8 O20 U4 -","4","1","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.0783","0.044","","","0.1003","0.1174","","","","","","1.039","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104743","13.448","0.005","40.927","0.015","14.033","0.005","90","","104.17","0.006","90","","7489","5","206","2","206","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H113 Li N4 O4 U -","- C80 H113 Li N4 O4 U -","- C320 H452 Li4 N16 O16 U4 -","4","1","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.0917","0.057","","","0.0965","0.1056","","","","","","1.08","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104744","21.889","0.005","10.156","0.005","34.909","0.005","90","0.005","90.715","0.005","90","0.005","7760","4","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H36 N4 O13 Zn2 -","- C33 H20 N2 O10 Zn2 -","- C264 H160 N16 O80 Zn16 -","8","1","","Masakazu Higuchi; Daisuke Tanaka; Satoshi Horike; Hirotoshi Sakamoto; Kohei Nakamura; Yohei Takashima; Yuh Hijikata; Nobuhiro Yanai; Jungeun Kim; Kenichi Kato; Yoshiki Kubota; Masaki Takata; Susumu Kitagawa","Porous Coordination Polymer with Pyridinium Cationic Surface, [Zn2(tpa)2(cpb)]","Journal of the American Chemical Society","2009","131","","10336","10337","10.1021/ja900373v","","","0.71069","MoKα","","0.0944","0.064","","","0.1706","0.1887","","","","","","0.979","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104745","28.7749","0.0003","28.7749","0.0003","24.4911","0.0006","90","","90","","90","","20278.5","0.6","123","2","123","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C93 H124 Ag3 N9 O26 -","- C93 H84 Ag3 N9 O26 -","- C744 H672 Ag24 N72 O208 -","8","1","","Guozan Yuan; Chengfeng Zhu; Yan Liu; Weimin Xuan; Yong Cui","Anion-Driven Conformational Polymorphism in Homochiral Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","10452","10460","10.1021/ja901154p","","","1.54178","CuKα","","0.0665","0.064","","","0.1693","0.1718","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104746","23.6519","0.0003","23.6519","0.0003","39.4914","0.001","90","","90","","120","","19132.2","0.6","123","2","123","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C31.5 H40.83 Ag F N3 O5.83 P0.17 -","- C31.5 H40.83 Ag F N3 O5.83 P0.166667 -","- C567 H734.94 Ag18 F18 N54 O104.94 P3 -","18","1","","Guozan Yuan; Chengfeng Zhu; Yan Liu; Weimin Xuan; Yong Cui","Anion-Driven Conformational Polymorphism in Homochiral Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","10452","10460","10.1021/ja901154p","","","1.54178","CuKα","","0.0542","0.0521","","","0.1502","0.1535","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104747","17.4625","0.0002","17.4625","0.0002","24.1023","0.0007","90","","90","","90","","7349.7","0.2","123","2","123","2","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","","","- C28 H34 Ag Cl N2 O9 -","- C28 H28 Ag Cl N2 O9 -","- C224 H224 Ag8 Cl8 N16 O72 -","8","1","","Guozan Yuan; Chengfeng Zhu; Yan Liu; Weimin Xuan; Yong Cui","Anion-Driven Conformational Polymorphism in Homochiral Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","10452","10460","10.1021/ja901154p","","","1.54178","CuKα","","0.0602","0.0598","","","0.1588","0.1592","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104748","40.497","0.001","17.8762","0.0006","18.4624","0.0007","90","","101.81","0.002","90","","13082.6","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H45 F6 N2 Ni P3 -","- C29 H45 F6 N2 Ni P3 -","- C464 H720 F96 N32 Ni16 P48 -","16","2","","Tobias Steinke; Bryan K. Shaw; Howard Jong; Brian O. Patrick; Michael D. Fryzuk; Jennifer C. Green","Noninnocent Behavior of Ancillary Ligands: Apparent Trans Coupling of a Saturated N-Heterocyclic Carbene Unit with an Ethyl Ligand Mediated by Nickel","Journal of the American Chemical Society","2009","131","","10461","10466","10.1021/ja901346g","","","0.71069","MoKα","","0.0756","0.0423","","","0.0901","0.105","","","","","","1.017","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104749","28.0108","0.001","12.6124","0.0002","18.5089","0.0006","90","","125.62","0.0011","90","","5315.5","0.3","80.1","","80","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H29 Cl N2 O8 -","- C27.265 H29 Cl0.95 N2.02 O8.07 -","- C218.12 H232 Cl7.6 N16.16 O64.56 -","8","1","","K. C. Nicolaou; Xiao-Shui Peng; Ya-Ping Sun; Damien Polet; Bin Zou; Chek Shik Lim; David Y.-K. Chen","Total Synthesis and Biological Evaluation of Cortistatins A and J and Analogues Thereof","Journal of the American Chemical Society","2009","131","","10587","10597","10.1021/ja902939t","","x-ray","0.71075","MoKα","","","0.0818","","","","0.0825","","","","","","3.837","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104750","8.8065","0.0005","9.5799","0.0003","13.8828","0.001","90","","96.494","0.003","90","","1163.71","0.11","93.1","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O3 -","- C13.21 H16 O2.64 -","- C52.84 H64 O10.56 -","4","1","","K. C. Nicolaou; Xiao-Shui Peng; Ya-Ping Sun; Damien Polet; Bin Zou; Chek Shik Lim; David Y.-K. Chen","Total Synthesis and Biological Evaluation of Cortistatins A and J and Analogues Thereof","Journal of the American Chemical Society","2009","131","","10587","10597","10.1021/ja902939t","","x-ray","0.71075","MoKα","","","0.0978","","","","0.1195","","","","","","8.066","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104751","11.7346","0.0007","9.0075","0.0004","11.8751","0.0008","90","","108.844","0.003","90","","1187.91","0.12","93.1","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O3 -","- C20.56 H25.32 O4.12 -","- C61.68 H75.96 O12.36 -","3","0.75","","K. C. Nicolaou; Xiao-Shui Peng; Ya-Ping Sun; Damien Polet; Bin Zou; Chek Shik Lim; David Y.-K. Chen","Total Synthesis and Biological Evaluation of Cortistatins A and J and Analogues Thereof","Journal of the American Chemical Society","2009","131","","10587","10597","10.1021/ja902939t","","x-ray","0.71075","MoKα","","","0.0725","","","","0.0778","","","","","","6.121","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104752","9.9221","0.0008","10.2588","0.0005","11.1446","0.0006","74.368","0.011","89.014","0.013","79.68","0.012","1074.19","0.14","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N O4 -","- C34.71 H46.9 N1.4 O5.57 -","- C69.42 H93.8 N2.8 O11.14 -","2","1","","K. C. Nicolaou; Xiao-Shui Peng; Ya-Ping Sun; Damien Polet; Bin Zou; Chek Shik Lim; David Y.-K. Chen","Total Synthesis and Biological Evaluation of Cortistatins A and J and Analogues Thereof","Journal of the American Chemical Society","2009","131","","10587","10597","10.1021/ja902939t","","","0.7107","MoKα","","","0.0808","","","","0.0787","","","","","","3.758","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104753","21.2168","0.0005","14.3508","0.0003","12.0623","0.0002","90","","99.802","0.001","90","","3619.09","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-(Bis-2,6-diisopropylphenyl)-2-(2',3',4',5'-tetraethylphospholyl)- dihydro-1,3,2-diazaphosphole","","- C38 H56 N2 P2 -","- C38 H56 N2 P2 -","- C152 H224 N8 P8 -","4","1","","Sebastian Burck; Kathrin Götz; Martin Kaupp; Martin Nieger; Johannes Weber; Jörn Schmedt auf der Günne; Dietrich Gudat","Diphosphines with Strongly Polarized P-P Bonds: Hybrids between Covalent Molecules and Donor-Acceptor Adducts with Flexible Molecular Structures","Journal of the American Chemical Society","2009","131","","10763","10774","10.1021/ja903156p","","","0.71073","MoKα","","0.0653","0.0377","","","0.0843","0.0915","","","","","","0.952","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104754","9.219","0.0002","20.3427","0.0005","34.1942","0.0009","90","","90","","90","","6412.8","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dimesityl-2-(2',3',4',5'-tetraethylphospholyl)- 4,5-dimethyl-dihydro-1,3,2-diazaphosphole","","- C34 H48 N2 P2 -","- C34 H48 N2 P2 -","- C272 H384 N16 P16 -","8","1","","Sebastian Burck; Kathrin Götz; Martin Kaupp; Martin Nieger; Johannes Weber; Jörn Schmedt auf der Günne; Dietrich Gudat","Diphosphines with Strongly Polarized P-P Bonds: Hybrids between Covalent Molecules and Donor-Acceptor Adducts with Flexible Molecular Structures","Journal of the American Chemical Society","2009","131","","10763","10774","10.1021/ja903156p","","","0.71073","MoKα","","0.1608","0.0978","","","0.1581","0.1833","","","","","","1.161","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104755","8.6178","0.0002","9.0995","0.0003","17.0578","0.0006","84.3","0.002","77.191","0.002","68.197","0.002","1210.83","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","1,3-Dmesityl-2-(3',4'-dimethyl-phospholyl)‒dihydro-1,3,2-diazaphosphole","","- C26 H32 N2 P2 -","- C26 H32 N2 P2 -","- C52 H64 N4 P4 -","2","1","","Sebastian Burck; Kathrin Götz; Martin Kaupp; Martin Nieger; Johannes Weber; Jörn Schmedt auf der Günne; Dietrich Gudat","Diphosphines with Strongly Polarized P-P Bonds: Hybrids between Covalent Molecules and Donor-Acceptor Adducts with Flexible Molecular Structures","Journal of the American Chemical Society","2009","131","","10763","10774","10.1021/ja903156p","","","0.71073","MoKα","","0.0469","0.0347","","","0.095","0.1005","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104756","8.5577","0.0003","26.0553","0.0011","13.8925","0.0007","90","","95.64","0.002","90","","3082.7","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Bis(2',6'-dimethylphenyl)-2-2-(2',4'-dimethyl-3',5'-diphenylphospholyl)- dihydro-1,3,2-diazaphosphole","","- C36 H36 N2 P2 -","- C36 H36 N2 P2 -","- C144 H144 N8 P8 -","4","1","","Sebastian Burck; Kathrin Götz; Martin Kaupp; Martin Nieger; Johannes Weber; Jörn Schmedt auf der Günne; Dietrich Gudat","Diphosphines with Strongly Polarized P-P Bonds: Hybrids between Covalent Molecules and Donor-Acceptor Adducts with Flexible Molecular Structures","Journal of the American Chemical Society","2009","131","","10763","10774","10.1021/ja903156p","","","0.71073","MoKα","","0.1087","0.0481","","","0.0818","0.0931","","","","","","0.903","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104757","10.6195","0.0003","19.4211","0.0006","20.5732","0.0008","108.629","0.002","95.211","0.002","104.049","0.002","3834.5","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","1,3-(Bis-2,6-diisopropylphenyl)-2-(2',3',4',5'-tetraethylphospholyl)- 4,5-dimethyl-dihydro-1,3,2-diazaphosphole","","- C40 H60 N2 P2 -","- C40 H60 N2 P2 -","- C160 H240 N8 P8 -","4","2","","Sebastian Burck; Kathrin Götz; Martin Kaupp; Martin Nieger; Johannes Weber; Jörn Schmedt auf der Günne; Dietrich Gudat","Diphosphines with Strongly Polarized P-P Bonds: Hybrids between Covalent Molecules and Donor-Acceptor Adducts with Flexible Molecular Structures","Journal of the American Chemical Society","2009","131","","10763","10774","10.1021/ja903156p","","","0.71073","MoKα","","0.1418","0.0528","","","0.0898","0.1062","","","","","","0.849","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104758","17.238","0.002","14.184","0.002","4.1973","0.0006","90","","90","","90","","1026.3","0.2","100","2","100","2","","","","","","","","2","P m n 21","P 2ac -2","31","","triindeno[1,2,3-bc:1',2',3'-ef:1'',2'',3''-kl]corannulene","","- C38 H16 -","- C38 H16 -","- C76 H32 -","2","0.5","","Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott","Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations","Journal of the American Chemical Society","2009","131","","10537","10545","10.1021/ja9031852","","","0.71073","MoKα","","0.0639","0.0493","","","0.1158","0.1241","","","","","","1.059","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104759","3.8711","0.0005","31.278","0.004","12.2437","0.0016","90","","93.423","0.002","90","","1479.8","0.3","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","monoindeno[1,2,3-bc]corannulene","","- C26 H12 -","- C26 H12 -","- C104 H48 -","4","1","","Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott","Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations","Journal of the American Chemical Society","2009","131","","10537","10545","10.1021/ja9031852","","","0.71073","MoKα","","0.1492","0.0733","","","0.1206","0.1466","","","","","","0.994","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104760","22.801","0.011","19.793","0.01","3.9073","0.0019","90","","90","","90","","1763.4","1.5","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","diindeno[1,2,3-bc:1',2',3'-ef]corannulene","","- C32 H14 -","- C32 H14 -","- C128 H56 -","4","0.5","","Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott","Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations","Journal of the American Chemical Society","2009","131","","10537","10545","10.1021/ja9031852","","","0.71073","Mo-Kα","","0.1779","0.0711","","","0.0956","0.1224","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104761","26.018","0.005","9.2556","0.0016","7.6909","0.0013","90","","90","","90","","1852.1","0.6","193","2","193","2","","","","","","","","2","C m c 21","C 2c -2","36","","diindeno[1,2,3-bc:1',2',3'-hi]corannulene","","- C32 H14 -","- C32 H14 -","- C128 H56 -","4","0.5","","Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott","Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations","Journal of the American Chemical Society","2009","131","","10537","10545","10.1021/ja9031852","","","0.71073","MoKα","","0.0417","0.0381","","","0.0884","0.0905","","","","","","1.007","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104762","25.578","0.004","4.0865","0.0006","42.62","0.007","90","","101.367","0.003","90","","4367.5","1.2","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","triindeno[1,2,3-bc:1',2',3'-ef:1'',2'',3''-hi]corannulene","","- C38.25 H16 S0.5 -","- C38.25 H16 S0.5 -","- C306 H128 S4 -","8","2","","Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott","Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations","Journal of the American Chemical Society","2009","131","","10537","10545","10.1021/ja9031852","","","0.71073","MoKα","","0.1126","0.0662","","","0.1538","0.1834","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104763","20.195","0.003","20.195","0.003","20.195","0.003","90","","90","","90","","8236","2","293","2","293","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C65 H24 In8 N36 O50 -","- C64.248 H21.912 In8 N34.13 O49.416 -","- C128.496 H43.824 In16 N68.26 O98.832 -","2","0.0416667","","Dorina F. Sava; Victor Ch. Kravtsov; Juergen Eckert; Jarrod F. Eubank; Farid Nouar; Mohamed Eddaoudi","Exceptional Stability and High Hydrogen Uptake in Hydrogen-Bonded Metal-Organic Cubes Possessing ACO and AST Zeolite-like Topologies","Journal of the American Chemical Society","2009","131","","10394","10396","10.1021/ja903287v","","","0.71073","MoKα","","0.1274","0.0442","","","0.0779","0.0868","","","","","","1.001","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104764","22.418","0.006","22.418","0.006","22.418","0.006","90","","90","","90","","11267","5","298","2","298","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C60 H50 In8 N45 O48 -","- C60 H32 In8 N42.28 O48 -","- C240 H128 In32 N169.12 O192 -","4","0.0416667","","Dorina F. Sava; Victor Ch. Kravtsov; Juergen Eckert; Jarrod F. Eubank; Farid Nouar; Mohamed Eddaoudi","Exceptional Stability and High Hydrogen Uptake in Hydrogen-Bonded Metal-Organic Cubes Possessing ACO and AST Zeolite-like Topologies","Journal of the American Chemical Society","2009","131","","10394","10396","10.1021/ja903287v","","","0.71073","MoKα","","0.1054","0.0611","","","0.1503","0.1665","","","","","","1","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104765","8.168","0.009","10.273","0.012","15.11","0.04","74.76","0.13","80.9","0.2","73.56","0.08","1168","4","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C24 H20 N4 O4 Ru -","- C24 H20 N4 O4 Ru -","- C48 H40 N8 O8 Ru2 -","2","1","","Lele Duan; Andreas Fischer; Yunhua Xu; Licheng Sun","Isolated Seven-Coordinate Ru(IV) Dimer Complex with [HOHOH]-Bridging Ligand as an Intermediate for Catalytic Water Oxidation","Journal of the American Chemical Society","2009","131","","10397","10399","10.1021/ja9034686","","","0.71073","MoKα","","0.0824","0.06","","","0.132","0.1445","","","","","","1.136","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104766","8.214","0.0006","13.284","0.004","14.513","0.004","79.7","0.02","87.324","0.013","83.863","0.015","1548.5","0.7","173","","","","","","","","","","Local laboratory","7","P -1","-P 1","2","","","","- C52 H53 F18 N10 O12 P3 Ru2 -","- C52 H53 F18 N10 O12 P3 Ru2 -","- C52 H53 F18 N10 O12 P3 Ru2 -","1","0.5","","Lele Duan; Andreas Fischer; Yunhua Xu; Licheng Sun","Isolated Seven-Coordinate Ru(IV) Dimer Complex with [HOHOH]-Bridging Ligand as an Intermediate for Catalytic Water Oxidation","Journal of the American Chemical Society","2009","131","","10397","10399","10.1021/ja9034686","","","0.71073","MoKα","","0.063","0.042","","","0.0954","0.1037","","","","","","1.053","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104767","9.7889","0.0005","17.493","0.0009","14.3574","0.0008","90","","97.52","0.0015","90","","2437.4","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H78 Ni2 O2 P2 -","- C48 H78 Ni2 O2 P2 -","- C96 H156 Ni4 O4 P4 -","2","0.5","","Sensuke Ogoshi; Toshifumi Haba; Masato Ohashi","Nickel-Catalyzed Direct Conjugate Addition of Simple Alkenes to Enones","Journal of the American Chemical Society","2009","131","","10350","10351","10.1021/ja903510u","","","0.71074","MoKα","","0.0694","0.0374","","","0.0934","0.1109","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104768","10.2869","0.0002","18.8067","0.0002","14.3938","0.0006","90","","93.17","0.003","90","","2780.4","0.13","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H90 Ni2 O2 P2 -","- C60 H90 Ni2 O2 P2 -","- C120 H180 Ni4 O4 P4 -","2","0.5","","Sensuke Ogoshi; Toshifumi Haba; Masato Ohashi","Nickel-Catalyzed Direct Conjugate Addition of Simple Alkenes to Enones","Journal of the American Chemical Society","2009","131","","10350","10351","10.1021/ja903510u","","","0.71069","MoKα","","0.0782","0.0474","","","0.093","0.1013","","","","","","0.978","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104769","6.6925","0.0006","11.4684","0.001","20.9665","0.0018","90","","90","","90","","1609.2","0.2","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky","Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids","Journal of the American Chemical Society","2009","131","","10711","10718","10.1021/ja9039604","","x-ray","0.71073","MoKα","","0.0426","0.0382","","","0.0952","0.0989","","","","","","1.096","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104770","7.866","0.0003","6.7057","0.0002","14.2336","0.0005","90","","105.39","0.001","90","","723.86","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky","Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids","Journal of the American Chemical Society","2009","131","","10711","10718","10.1021/ja9039604","","x-ray","0.71073","MoKα","","0.0502","0.044","","","0.1144","0.1218","","","","","","1.063","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104771","7.713","0.005","14.863","0.005","31.233","0.005","90","","90","","90","","3580","3","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C184 H168 N8 O24 -","8","1","","Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky","Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids","Journal of the American Chemical Society","2009","131","","10711","10718","10.1021/ja9039604","","x-ray","0.71069","MoKα","","0.0969","0.0781","","","0.192","0.1995","","","","","","1.172","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104772","7.6288","0.0003","19.7515","0.001","24.028","0.001","75.136","0.002","82.376","0.002","88.422","0.002","3468.4","0.3","100","1","100","1","","","","","","","","5","P 1","P 1","1","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","8","","Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky","Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids","Journal of the American Chemical Society","2009","131","","10711","10718","10.1021/ja9039604","","x-ray","0.71073","MoKα","","0.0617","0.0511","","","0.1227","0.1286","","","","","","1.043","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104773","10.7125","0.0015","7.4605","0.0009","11.5388","0.0017","90","","91.512","0.004","90","","921.9","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C40 H46 N2 O6 S2 -","2","1","","Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky","Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids","Journal of the American Chemical Society","2009","131","","10711","10718","10.1021/ja9039604","","x-ray","0.71073","MoKα","","0.0452","0.0395","","","0.0983","0.1021","","","","","","1.035","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104774","13.8645","0.0003","16.9859","0.0003","20.7527","0.0004","97.901","0.001","99.315","0.001","92.528","0.001","4766.03","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H112 B2 Fe2 N4 P6 -","- C114 H112 B2 Fe2 N4 P6 -","- C228 H224 B4 Fe4 N8 P12 -","2","1","","Caroline T. Saouma; Peter Müller; Jonas C. Peters","Characterization of Structurally Unusual Diiron NxHy Complexes","Journal of the American Chemical Society","2009","131","","10358","10359","10.1021/ja903967z","","","1.54178","CuKα","","0.0626","0.0558","","","0.1503","0.1557","","","","","","1.059","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104775","15.914","0.003","27.596","0.004","25.488","0.004","90","","97.306","0.003","90","","11103","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H202 B2 Fe2 N4 O3 P6 -","- C110 H202 B2 Fe2 N4 O3 P6 -","- C440 H808 B8 Fe8 N16 O12 P24 -","4","0.5","","Caroline T. Saouma; Peter Müller; Jonas C. Peters","Characterization of Structurally Unusual Diiron NxHy Complexes","Journal of the American Chemical Society","2009","131","","10358","10359","10.1021/ja903967z","","","0.71073","MoKα","","0.1471","0.1303","","","0.3042","0.312","","","","","","1.265","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104776","16.47","0.002","27.384","0.004","25.154","0.005","90","","93.697","0.002","90","","11321","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H204 B2 Fe2 N4 O4 P6 -","- C110 H204 B2 Fe2 N4 O4 P6 -","- C440 H816 B8 Fe8 N16 O16 P24 -","4","0.5","","Caroline T. Saouma; Peter Müller; Jonas C. Peters","Characterization of Structurally Unusual Diiron NxHy Complexes","Journal of the American Chemical Society","2009","131","","10358","10359","10.1021/ja903967z","","","0.71073","MoKα","","0.1417","0.0717","","","0.152","0.2045","","","","","","1.203","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104777","13.57","0.0017","13.8818","0.0019","28.049","0.005","95.483","0.004","95.884","0.004","118.639","0.002","4549.1","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H104 B2 Fe2 N4 P6 -","- C108 H104 B2 Fe2 N4 P6 -","- C216 H208 B4 Fe4 N8 P12 -","2","1","","Caroline T. Saouma; Peter Müller; Jonas C. Peters","Characterization of Structurally Unusual Diiron NxHy Complexes","Journal of the American Chemical Society","2009","131","","10358","10359","10.1021/ja903967z","","","0.71073","MoKα","","0.1172","0.0676","","","0.1718","0.205","","","","","","1.037","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104778","16.4689","0.0004","14.2851","0.0003","37.7006","0.0008","90","","101.267","0.001","90","","8698.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C105 H114 B2 Fe2 N2 P6 -","- C105 H114.001 B2 Fe2 N2.001 P6 -","- C420 H456.004 B8 Fe8 N8.004 P24 -","4","1","","Caroline T. Saouma; Peter Müller; Jonas C. Peters","Characterization of Structurally Unusual Diiron NxHy Complexes","Journal of the American Chemical Society","2009","131","","10358","10359","10.1021/ja903967z","","","1.54178","CuKα","","0.0642","0.0542","","","0.1292","0.1354","","","","","","1.058","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104779","10.7606","0.0018","14.085","0.002","21.094","0.004","90.729","0.002","90.393","0.002","95.057","0.002","3184.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 F6 Mo N2 O -","- C32 H40 F6 Mo N2 O -","- C128 H160 F24 Mo4 N8 O4 -","4","2","","Yeon-Ju Lee; Richard R. Schrock; Amir H. Hoveyda","Endo-Selective Enyne Ring-Closing Metathesis Promoted by Stereogenic-at-Mo Monoalkoxide and Monoaryloxide Complexes. Efficient Synthesis of Cyclic Dienes Not Accessible through Reactions with Ru Carbenes","Journal of the American Chemical Society","2009","131","","10652","10661","10.1021/ja904098h","","","0.71073","MoKα","","0.0716","0.051","","","0.1033","0.1109","","","","","","1.028","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104780","43.321","0.007","12.988","0.002","14.383","0.002","90","","106.856","0.002","90","","7745","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 Mo N2 O -","- C46 H50 Mo N2 O -","- C368 H400 Mo8 N16 O8 -","8","1","","Yeon-Ju Lee; Richard R. Schrock; Amir H. Hoveyda","Endo-Selective Enyne Ring-Closing Metathesis Promoted by Stereogenic-at-Mo Monoalkoxide and Monoaryloxide Complexes. Efficient Synthesis of Cyclic Dienes Not Accessible through Reactions with Ru Carbenes","Journal of the American Chemical Society","2009","131","","10652","10661","10.1021/ja904098h","","","0.71073","MoKα","","0.048","0.037","","","0.0796","0.0842","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104781","12.414","0.003","27.088","0.006","13.856","0.004","90","","103.893","0.004","90","","4523","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H57.96 Br0.04 Mo N2 O -","- C58 H57.962 Br0.038 Mo N2 O -","- C232 H231.848 Br0.152 Mo4 N8 O4 -","4","1","","Yeon-Ju Lee; Richard R. Schrock; Amir H. Hoveyda","Endo-Selective Enyne Ring-Closing Metathesis Promoted by Stereogenic-at-Mo Monoalkoxide and Monoaryloxide Complexes. Efficient Synthesis of Cyclic Dienes Not Accessible through Reactions with Ru Carbenes","Journal of the American Chemical Society","2009","131","","10652","10661","10.1021/ja904098h","","","0.71073","MoKα","","0.1359","0.0735","","","0.1238","0.1454","","","","","","1.057","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104782","9.2507","0.0019","8.0261","0.0016","22.16","0.004","90","","101.61","0.03","90","","1611.7","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C68 H84 N4 O8 S4 -","4","2","","Yeon-Ju Lee; Richard R. Schrock; Amir H. Hoveyda","Endo-Selective Enyne Ring-Closing Metathesis Promoted by Stereogenic-at-Mo Monoalkoxide and Monoaryloxide Complexes. Efficient Synthesis of Cyclic Dienes Not Accessible through Reactions with Ru Carbenes","Journal of the American Chemical Society","2009","131","","10652","10661","10.1021/ja904098h","","","0.71073","MoKα","","0.076","0.0477","","","0.0854","0.0963","","","","","","0.995","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104783","14.7945","0.0008","7.6873","0.0005","10.2968","0.0008","90","","107.147","0.003","90","","1119","0.13","153","2","153","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H18 Br2 -","- C27 H18 Br2 -","- C54 H36 Br4 -","2","0.5","","Xiaotao Pu; Xiangbing Qi; Joseph M. Ready","Allenes in Asymmetric Catalysis: Asymmetric Ring Opening of meso-Epoxides Catalyzed by Allene-Containing Phosphine Oxides","Journal of the American Chemical Society","2009","131","","10364","10365","10.1021/ja9041127","","","0.7107","MoKα","","0.0378","0.0322","","","0.0757","0.079","","","","","","1.062","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104784","10.8456","0.0004","16.0031","0.0005","11.1904","0.0005","90","","96.834","0.002","90","","1928.44","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H40 O3 P2 -","- C51 H40 O3 P2 -","- C102 H80 O6 P4 -","2","1","","Xiaotao Pu; Xiangbing Qi; Joseph M. Ready","Allenes in Asymmetric Catalysis: Asymmetric Ring Opening of meso-Epoxides Catalyzed by Allene-Containing Phosphine Oxides","Journal of the American Chemical Society","2009","131","","10364","10365","10.1021/ja9041127","","","1.5418","CuKα","","0.0829","0.0583","","","0.1005","0.1219","","","","","","1.145","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104785","21.7401","0.0005","19.5657","0.001","54.261","0.002","90","","94.895","0.001","90","","22996.3","1.5","123","1","123","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Final","Final","","- C180 H168 B8 F32 N24 P8 Pd4 -","- C180 H168 B8 F32 N24 P8 Pd4 -","- C720 H672 B32 F128 N96 P32 Pd16 -","4","1","","Jinzhen Lu; David R. Turner; Lindsay P. Harding; Lindsay T. Byrne; Murray V. Baker; Stuart R. Batten","Octapi Interactions: Self-Assembly of a Pd-Based [2]Catenane Driven by Eightfold π Interactions","Journal of the American Chemical Society","2009","131","","10372","10373","10.1021/ja9041912","","","0.71073","MoKα","","0.1529","0.0946","","","0.2524","0.2846","","","","","","1.053","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104786","28.414","0.012","41.636","0.008","29.307","0.007","90","","90","","90","","34672","18","123","2","123","2","","","","","","","","9","P n n a","-P 2a 2bc","52","{[(dppp)Pd(LPr)]2.4OTF}4.5Toluene","{[(dppp)Pd(LPr)]2.4OTF}.4.5Toluene","","- C127.5 H125.5 F12 N12 O12 P4 Pd2 Pt0 S4 -","- C127.5 H124 F12 N12 O12 P4 Pd2 S4 -","- C1020 H992 F96 N96 O96 P32 Pd16 S32 -","8","1","","Jinzhen Lu; David R. Turner; Lindsay P. Harding; Lindsay T. Byrne; Murray V. Baker; Stuart R. Batten","Octapi Interactions: Self-Assembly of a Pd-Based [2]Catenane Driven by Eightfold π Interactions","Journal of the American Chemical Society","2009","131","","10372","10373","10.1021/ja9041912","","","0.77343","Synchrotron","","0.1668","0.1487","","","0.434","0.4549","","","","","","2.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104787","6.7723","0.0004","14.7754","0.0009","18.9647","0.001","110.205","0.003","100.064","0.003","90.673","0.004","1748.15","0.18","150","2","150","2","","","","","","","Leszek Rupnicki","5","P 1","P 1","1","","","","- C19 H21 N O4 S -","- C19 H21 N O4 S -","- C76 H84 N4 O16 S4 -","4","4","","Leszek Rupnicki; Aakarsh Saxena; Hon Wai Lam","Aromatic Heterocycles as Activating Groups for Asymmetric Conjugate Addition Reactions. Enantioselective Copper-Catalyzed Reduction of 2-Alkenylheteroarenes","Journal of the American Chemical Society","2009","131","","10386","10387","10.1021/ja904365h","","","0.71073","MoKα","","0.08","0.0712","","","0.167","0.1762","","","","","","1.039","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104788","10.9142","0.0015","16.979","0.002","25.765","0.004","90","","100.067","0.003","90","","4701.1","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H76 N8 Si6 U2 -","- C30 H76 N8 Si6 U2 -","- C120 H304 N32 Si24 U8 -","4","1","","Benedict M. Gardner; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","A Crystallizable Dinuclear Tuck-In-Tuck-Over Tuck-Over Dialkyl Tren Uranium Complex and Double Dearylation of BPh4- To Give the BPh2-Functionalized Metallocycle [U{N(CH2CH2NSiMe3)2(CH2CH2NSiMe2CHBPh2)}(THF)]","Journal of the American Chemical Society","2009","131","","10388","10389","10.1021/ja904459q","","","0.71073","MoKα","","0.0481","0.0282","","","0.0563","0.0616","","","","","","1.016","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104789","10.0582","0.001","18.9912","0.0019","19.5054","0.0019","90","","100.881","0.002","90","","3658.9","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 B N4 O Si3 U -","- C31 H55 B N4 O Si3 U -","- C124 H220 B4 N16 O4 Si12 U4 -","4","1","","Benedict M. Gardner; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","A Crystallizable Dinuclear Tuck-In-Tuck-Over Tuck-Over Dialkyl Tren Uranium Complex and Double Dearylation of BPh4- To Give the BPh2-Functionalized Metallocycle [U{N(CH2CH2NSiMe3)2(CH2CH2NSiMe2CHBPh2)}(THF)]","Journal of the American Chemical Society","2009","131","","10388","10389","10.1021/ja904459q","","","0.71073","MoKα","","0.0635","0.04","","","0.0695","0.0747","","","","","","1.043","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104790","8.4421","0.0017","10.189","0.002","12.446","0.003","90","","104.63","0.03","90","","1035.9","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C48 H40 Br2 N2 O4 -","2","1","","Luo Yang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Cr(III)(salen)Cl Catalyzed Enantioselective Intramolecular Addition of Tertiary Enamides to Ketones: A General Access to Enantioenriched 1H-Pyrrol-2(3H)-one Derivatives Bearing a Hydroxylated Quaternary Carbon Atom","Journal of the American Chemical Society","2009","131","","10390","10391","10.1021/ja904534t","","","0.71073","MoKα","","0.0773","0.0371","","","0.0503","0.0586","","","","","","0.651","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104791","7.1582","0.0014","12.936","0.003","11.286","0.002","90","","91.01","0.03","90","","1044.9","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 N O4 -","- C26 H25 N O4 -","- C52 H50 N2 O8 -","2","1","","Luo Yang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Cr(III)(salen)Cl Catalyzed Enantioselective Intramolecular Addition of Tertiary Enamides to Ketones: A General Access to Enantioenriched 1H-Pyrrol-2(3H)-one Derivatives Bearing a Hydroxylated Quaternary Carbon Atom","Journal of the American Chemical Society","2009","131","","10390","10391","10.1021/ja904534t","","","0.71073","MoKα","","0.0437","0.0375","","","0.0857","0.0973","","","","","","1.126","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104792","6.069","0.0004","12.594","0.002","15.485","0.0007","90","","90","","90","","1183.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","fidarestat","((2S,4S)-6-fluoro-2',5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxamide","","- C12 H10 F N3 O4 -","- C12 H10 F N3 O4 -","- C48 H40 F4 N12 O16 -","4","1","","Bertrand Fournier; El-Eulmi Bendeif; Benoît Guillot; Alberto Podjarny; Claude Lecomte; Christian Jelsch","Charge Density and Electrostatic Interactions of Fidarestat, an Inhibitor of Human Aldose Reductase","Journal of the American Chemical Society","2009","131","","10929","10941","10.1021/ja8095015","","","0.45","synchrotron","","0.0374","0.0374","","","0.0198","0.0198","","","","","","0.398","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104793","14.918","0.005","15.596","0.005","16.442","0.005","90","","105.606","0.005","90","","3684","2","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Mn2 N6 O13 -","- C34 H34 Mn2 N6 O13 -","- C136 H136 Mn8 N24 O52 -","4","1","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1016","0.0731","","","0.141","0.2045","","","","","","1.044","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104794","17.777","0.007","15.303","0.005","16.267","0.006","90","","113.51","0.005","90","","4058","3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H35 Mn2 N9 O8 -","- C38 H35 Mn2 N9 O8 -","- C152 H140 Mn8 N36 O32 -","4","0.5","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.0932","0.0649","","","0.1537","0.2191","","","","","","1.051","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104795","18.237","0.006","15.078","0.003","16.285","0.005","90","","114.835","0.005","90","","4064","2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Mn N4 O4 -","- C20 H16 Mn N4 O4 -","- C160 H128 Mn8 N32 O32 -","8","1","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.108","0.072","","","0.1844","0.244","","","","","","1.075","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104796","18.826","0.007","14.89","0.002","16.288","0.004","90","","112.937","0.006","90","","4205","2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Mn N4 O4 -","- C22 H20 Mn N4 O4 -","- C176 H160 Mn8 N32 O32 -","8","1","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1072","0.0701","","","0.1849","0.2352","","","","","","1.047","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104797","18.874","0.006","14.891","0.005","16.299","0.004","90","","114.015","0.002","90","","4184","2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Mn N4 O4 -","- C22 H20 Mn N4 O4 -","- C176 H160 Mn8 N32 O32 -","8","1","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1181","0.0733","","","0.187","0.2406","","","","","","1.044","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104798","18.406","0.007","15.041","0.005","16.344","0.004","90","","111.54","0.004","90","","4209","2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Mn2 N6 O15 -","- C34 H34 Mn2 N6 O15 -","- C136 H136 Mn8 N24 O60 -","4","0.5","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1011","0.0649","","","0.1511","0.2207","","","","","","1.053","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104799","18.409","0.007","15.009","0.006","16.341","0.006","90","","111.682","0.007","90","","4196","3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Mn2 N6 O15 -","- C34 H34 Mn2 N6 O15 -","- C136 H136 Mn8 N24 O60 -","4","0.5","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1079","0.0675","","","0.1549","0.2241","","","","","","1.078","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104800","18.408","0.006","15.037","0.005","16.357","0.006","90","","111.575","0.005","90","","4210","2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Mn2 N6 O15 -","- C34 H34 Mn2 N6 O15 -","- C136 H136 Mn8 N24 O60 -","4","0.5","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1064","0.0645","","","0.1524","0.2114","","","","","","1.064","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104801","18.421","0.005","15.029","0.004","16.355","0.005","90","","111.668","0.006","90","","4208","2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Mn2 N6 O15 -","- C34 H34 Mn2 N6 O15 -","- C136 H136 Mn8 N24 O60 -","4","0.5","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1024","0.0637","","","0.1586","0.221","","","","","","1.052","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104802","18.343","0.006","15.054","0.004","16.343","0.005","90","","111.808","0.004","90","","4190","2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Mn2 N6 O15 -","- C34 H34 Mn2 N6 O15 -","- C136 H136 Mn8 N24 O60 -","4","0.5","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1019","0.0633","","","0.1515","0.2186","","","","","","1.065","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104803","18.278","0.006","15.032","0.004","16.444","0.005","90","","112.032","0.005","90","","4188","2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Mn2 N6 O15 -","- C34 H38 Mn2 N6 O15 -","- C136 H152 Mn8 N24 O60 -","4","0.5","","Madhab C. Das; Parimal K. Bharadwaj","A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules","Journal of the American Chemical Society","2009","131","","10942","10949","10.1021/ja9006035","","","0.71069","MoKα","","0.1024","0.0615","","","0.1497","0.2141","","","","","","1.065","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104804","11.5336","0.0016","22.057","0.003","20.237","0.003","90","","105.548","0.002","90","","4959.8","1.2","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","La@C80C6H3Cl2","La@C80C6H3Cl2","","- C96.5 H15 Cl2 La -","- C96.5 H15 Cl2 La0.9998 -","- C386 H60 Cl8 La3.9992 -","4","1","","Hidefumi Nikawa; Tomoya Yamada; Baopeng Cao; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Takeshi Akasaka; Kenji Yoza; Shigeru Nagase","Missing Metallofullerene with C80 Cage","Journal of the American Chemical Society","2009","131","","10950","10954","10.1021/ja900972r","","x-ray","0.71073","MoKα","","0.1155","0.0983","","","0.2288","0.239","","","","","","1.118","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104805","12.0071","0.001","13.9633","0.0011","15.6648","0.0013","90","","101.654","0.001","90","","2572.2","0.4","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N2 O4 Pd -","- C32 H28 N2 O4 Pd -","- C128 H112 N8 O16 Pd4 -","4","0.5","","Joy M. Racowski; Allison R. Dick; Melanie S. Sanford","Detailed Study of C-O and C-C Bond-Forming Reductive Elimination from Stable C2N2O2-Ligated Palladium(IV) Complexes","Journal of the American Chemical Society","2009","131","","10974","10983","10.1021/ja9014474","","","0.71073","MoKα","","0.0397","0.034","","","0.0774","0.0796","","","","","","1.124","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104806","27.265","0.002","14.1208","0.0011","16.7774","0.0014","90","","112.087","0.001","90","","5985.3","0.8","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 N2 O4 Pd -","- C34 H38 N2 O4 Pd -","- C272 H304 N16 O32 Pd8 -","8","1","","Joy M. Racowski; Allison R. Dick; Melanie S. Sanford","Detailed Study of C-O and C-C Bond-Forming Reductive Elimination from Stable C2N2O2-Ligated Palladium(IV) Complexes","Journal of the American Chemical Society","2009","131","","10974","10983","10.1021/ja9014474","","","0.71073","MoKα","","0.0625","0.0565","","","0.1712","0.1795","","","","","","1.067","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104807","7.2574","0.0013","7.2574","0.0013","7.256","0.003","90","","90","","90","","382.17","0.19","375","2","375","2","","","","","","","","5","P 4/m m m","-P 4 2","123","[Fe(pz)Ni(CN)4]","","","- C8 H4 Fe N6 Ni -","- C8 H4 Fe N6 Ni -","- C8 H4 Fe N6 Ni -","1","0.0625","","Peter D. Southon; Lang Liu; Elizabeth A. Fellows; David J. Price; Gregory J. Halder; Karena W. Chapman; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert","Dynamic Interplay between Spin-Crossover and Host-Guest Function in a Nanoporous Metal-Organic Framework Material","Journal of the American Chemical Society","2009","131","","10998","11009","10.1021/ja902187d","","","0.71073","MoKα","","0.0969","0.0464","","","0.0994","0.1182","","","","","","0.962","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104808","7.1139","0.0003","6.9109","0.0004","6.7799","0.0003","90","","90","","90","","333.32","0.03","150","2","150","2","","","","","","","","6","P m m m","-P 2 2","47","[Fe(pz)Ni(CN)4].2H2O","","","- C8 H8 Fe N6 Ni O2 -","- C8 H4 Fe N6 Ni O1.998 -","- C8 H4 Fe N6 Ni O1.998 -","1","0.125","","Peter D. Southon; Lang Liu; Elizabeth A. Fellows; David J. Price; Gregory J. Halder; Karena W. Chapman; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert","Dynamic Interplay between Spin-Crossover and Host-Guest Function in a Nanoporous Metal-Organic Framework Material","Journal of the American Chemical Society","2009","131","","10998","11009","10.1021/ja902187d","","","0.71073","MoKα","","0.0394","0.0334","","","0.0885","0.0936","","","","","","1.118","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104809","7.028","0.003","7.01","0.003","6.725","0.002","90","","90","","90","","331.3","0.2","150","2","150","2","","","","","","","","6","P m m m","-P 2 2","47","[Fe(pz)Ni(CN)4].2H2O","","","- C8 H8 Fe N6 Ni O2 -","- C8 H4 Fe N6 Ni O2 -","- C8 H4 Fe N6 Ni O2 -","1","0.125","","Peter D. Southon; Lang Liu; Elizabeth A. Fellows; David J. Price; Gregory J. Halder; Karena W. Chapman; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert","Dynamic Interplay between Spin-Crossover and Host-Guest Function in a Nanoporous Metal-Organic Framework Material","Journal of the American Chemical Society","2009","131","","10998","11009","10.1021/ja902187d","","","0.71073","MoKα","","0.0688","0.0362","","","0.0779","0.0943","","","","","","1.153","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104810","7.2666","0.0003","7.2696","0.0003","7.2421","0.0003","90","","90","","90","","382.57","0.03","301","2","301","2","","","","","","","","6","P m m m","-P 2 2","47","[Fe(pz)Ni(CN)4].2H2O","","","- C8 H8 Fe N6 Ni O2 -","- C8 H4 Fe N6 Ni O1.984 -","- C8 H4 Fe N6 Ni O1.984 -","1","0.125","","Peter D. Southon; Lang Liu; Elizabeth A. Fellows; David J. Price; Gregory J. Halder; Karena W. Chapman; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert","Dynamic Interplay between Spin-Crossover and Host-Guest Function in a Nanoporous Metal-Organic Framework Material","Journal of the American Chemical Society","2009","131","","10998","11009","10.1021/ja902187d","","","0.71073","MoKα","","0.0541","0.0393","","","0.1083","0.12","","","","","","1.227","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104811","8.01","0.002","10.902","0.002","20.373","0.005","90","","90","","90","","1779.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Br N2 O -","- C20 H25 Br N2 O -","- C80 H100 Br4 N8 O4 -","4","1","","Michael E. Muratore; Chloe A. Holloway; Adam W. Pilling; R. Ian Storer; Graham Trevitt; Darren J. Dixon","Enantioselective Brønsted Acid-Catalyzed N-Acyliminium Cyclization Cascades","Journal of the American Chemical Society","2009","131","","10796","10797","10.1021/ja9024885","","","0.71073","MoKα","","0.0535","0.0399","","","0.0699","0.0733","","","","","","0.969","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104812","10.82","0.15","11.82","0.18","12.36","0.18","63.7","0.3","75.1","0.3","84.1","0.4","1369","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[BTBr][B(C6F5)3]","","","- C48 H6 B2 Br2 F30 N4 S2 -","- C48 H6 B2 Br2 F30 N4 S2 -","- C48 H6 B2 Br2 F30 N4 S2 -","1","0.5","","Gregory C. Welch; Robert Coffin; Jeff Peet; Guillermo C. Bazan","Band Gap Control in Conjugated Oligomers via Lewis Acids","Journal of the American Chemical Society","2009","131","","10802","10803","10.1021/ja902789w","","","0.71073","MoKα","","0.0655","0.0433","","","0.1132","0.1274","","","","","","1.028","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4104813","13.283","0.004","24.629","0.008","32.79","0.01","80.537","0.005","83.396","0.004","80.793","0.005","10401","6","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","holkd15","(diketiminate)cobalt(II) hydride dimer","","- C77 H116 Co2 N4 -","- C77 H116 Co2 N4 -","- C462 H696 Co12 N24 -","6","3","","Keying Ding; William W. Brennessel; Patrick L. Holland","Three-Coordinate and Four-Coordinate Cobalt Hydride Complexes That React with Dinitrogen","Journal of the American Chemical Society","2009","131","","10804","10805","10.1021/ja902812y","","","0.71073","MoKα","","0.1656","0.0732","","","0.1358","0.1699","","","","","","1.007","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104814","14.078","0.002","15.47","0.002","19.469","0.003","75.232","0.002","69.676","0.002","77.776","0.002","3809.1","0.9","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","holkd18","potassium (diketiminate)cobalt(I) hydride","","- C78 H123 Co2 K2 N4 -","- C78 H123 Co2 K2 N4 -","- C156 H246 Co4 K4 N8 -","2","1","","Keying Ding; William W. Brennessel; Patrick L. Holland","Three-Coordinate and Four-Coordinate Cobalt Hydride Complexes That React with Dinitrogen","Journal of the American Chemical Society","2009","131","","10804","10805","10.1021/ja902812y","","","0.71073","MoKα","","0.0865","0.0467","","","0.1106","0.1267","","","","","","1.026","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104815","9.6029","0.0006","17.8932","0.0012","21.6988","0.0014","90","","95.06","0.001","90","","3713.9","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holkd21","(diketiminate)cobalt(II) cyclohexyl","","- C41 H64 Co N2 -","- C41 H64 Co N2 -","- C164 H256 Co4 N8 -","4","1","","Keying Ding; William W. Brennessel; Patrick L. Holland","Three-Coordinate and Four-Coordinate Cobalt Hydride Complexes That React with Dinitrogen","Journal of the American Chemical Society","2009","131","","10804","10805","10.1021/ja902812y","","","0.71073","MoKα","","0.1","0.0537","","","0.1115","0.131","","","","","","1.012","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104816","12.2397","0.0006","12.8327","0.0006","15.0834","0.0007","74.211","0.001","82.325","0.001","73.693","0.001","2183.83","0.18","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H148 Dy2 N2 O12 -","- C88 H148 Dy2 N2 O12 -","- C88 H148 Dy2 N2 O12 -","1","0.5","","William J. Evans; Ming Fang; Gaël Zucchi; Filipp Furche; Joseph W. Ziller; Ryan M. Hoekstra; Jeffrey I. Zink","Isolation of Dysprosium and Yttrium Complexes of a Three-Electron Reduction Product in the Activation of Dinitrogen, the (N2)3- Radical","Journal of the American Chemical Society","2009","131","","11195","11202","10.1021/ja9036753","","","0.71073","MoKα","","0.0625","0.0441","","","0.1028","0.1131","","","","","","1.083","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104817","15.5427","0.0005","12.0654","0.0004","24.6783","0.0008","90","","105.225","0.001","90","","4465.5","0.3","178","2","178","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H132 Dy2 N2 O8 -","- C86 H132 Dy2 N2 O8 -","- C172 H264 Dy4 N4 O16 -","2","0.5","","William J. Evans; Ming Fang; Gaël Zucchi; Filipp Furche; Joseph W. Ziller; Ryan M. Hoekstra; Jeffrey I. Zink","Isolation of Dysprosium and Yttrium Complexes of a Three-Electron Reduction Product in the Activation of Dinitrogen, the (N2)3- Radical","Journal of the American Chemical Society","2009","131","","11195","11202","10.1021/ja9036753","","","0.71073","MoKα","","0.0804","0.0494","","","0.1476","0.1664","","","","","","1.122","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104818","12.8686","0.0006","13.3829","0.0006","16.2559","0.0007","109.267","0.0007","99.9592","0.0008","104.579","0.0008","2455.21","0.19","138","2","138","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H164 Dy2 K N2 O14 -","- C96 H164 Dy2 K N2 O14 -","- C96 H164 Dy2 K N2 O14 -","1","0.5","","William J. Evans; Ming Fang; Gaël Zucchi; Filipp Furche; Joseph W. Ziller; Ryan M. Hoekstra; Jeffrey I. Zink","Isolation of Dysprosium and Yttrium Complexes of a Three-Electron Reduction Product in the Activation of Dinitrogen, the (N2)3- Radical","Journal of the American Chemical Society","2009","131","","11195","11202","10.1021/ja9036753","","","0.71073","MoKα","","0.0546","0.0369","","","0.0853","0.0948","","","","","","1.083","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104819","14.0906","0.0009","18.0226","0.0012","19.2315","0.0013","68.061","0.0011","85.6165","0.0011","68.4163","0.0011","4201.9","0.5","138","2","138","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H122 Dy2 K N2 O7 -","- C74 H122 Dy2 K N2 O7 -","- C148 H244 Dy4 K2 N4 O14 -","2","1","","William J. Evans; Ming Fang; Gaël Zucchi; Filipp Furche; Joseph W. Ziller; Ryan M. Hoekstra; Jeffrey I. Zink","Isolation of Dysprosium and Yttrium Complexes of a Three-Electron Reduction Product in the Activation of Dinitrogen, the (N2)3- Radical","Journal of the American Chemical Society","2009","131","","11195","11202","10.1021/ja9036753","","","0.71073","MoKα","","0.07","0.0532","","","0.1466","0.1616","","","","","","1.07","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104820","16.4627","0.0009","24.9416","0.0013","19.9471","0.0011","90","","93.684","0.001","90","","8173.5","0.8","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H136 K N6 O8 Si8 Y2 -","- C56 H88 K N6 O8 Si8 Y2 -","- C224 H352 K4 N24 O32 Si32 Y8 -","4","1","","William J. Evans; Ming Fang; Gaël Zucchi; Filipp Furche; Joseph W. Ziller; Ryan M. Hoekstra; Jeffrey I. Zink","Isolation of Dysprosium and Yttrium Complexes of a Three-Electron Reduction Product in the Activation of Dinitrogen, the (N2)3- Radical","Journal of the American Chemical Society","2009","131","","11195","11202","10.1021/ja9036753","","","0.71073","MoKα","","0.0698","0.0567","","","0.1593","0.1706","","","","","","1.031","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104821","12.481","0.003","21.371","0.005","22.304","0.005","90","","105.071","0.003","90","","5745","2","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H92 K N6 O2 Si8 Y2 -","- C35.5 H88 K N6 O2 Si8 Y2 -","- C142 H352 K4 N24 O8 Si32 Y8 -","4","1","","William J. Evans; Ming Fang; Gaël Zucchi; Filipp Furche; Joseph W. Ziller; Ryan M. Hoekstra; Jeffrey I. Zink","Isolation of Dysprosium and Yttrium Complexes of a Three-Electron Reduction Product in the Activation of Dinitrogen, the (N2)3- Radical","Journal of the American Chemical Society","2009","131","","11195","11202","10.1021/ja9036753","","","0.71073","MoKα","","0.0646","0.0372","","","0.0808","0.091","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104822","49.248","0.01","9.3164","0.0019","26.135","0.005","90","","119.15","0.03","90","","10472","5","178","2","178","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55.63 H67 Ir N P2 Si -","- C55.632 H67 Ir N P2 Si -","- C445.056 H536 Ir8 N8 P16 Si8 -","8","1","","Elisa Calimano; T. Don Tilley","Synthesis and Structure of PNP-Supported Iridium Silyl and Silylene Complexes: Catalytic Hydrosilation of Alkenes","Journal of the American Chemical Society","2009","131","","11161","11173","10.1021/ja903737j","","","0.71073","MoKα","","0.0814","0.0457","","","0.0873","0.097","","","","","","0.971","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104823","9.404","0.002","16.248","0.003","21.85","0.005","90","","94.913","0.004","90","","3326.3","1.2","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 Ir N P2 -","- C34 H54 Ir N P2 -","- C136 H216 Ir4 N4 P8 -","4","1","","Elisa Calimano; T. Don Tilley","Synthesis and Structure of PNP-Supported Iridium Silyl and Silylene Complexes: Catalytic Hydrosilation of Alkenes","Journal of the American Chemical Society","2009","131","","11161","11173","10.1021/ja903737j","","","0.71073","MoKα","","0.0898","0.0504","","","0.0971","0.108","","","","","","1.022","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104824","10.3748","0.0017","13.775","0.002","19.886","0.003","79.423","0.003","80.422","0.003","80.345","0.003","2727","0.7","159","2","159","2","","","","","","","","9","P -1","-P 1","2","","","","- C84 H116 B22 Br12 F Ir2 N2 P4 Si2 -","- C84 H116 B22 Br12 F Ir2 N2 P4 Si2 -","- C84 H116 B22 Br12 F Ir2 N2 P4 Si2 -","1","0.5","","Elisa Calimano; T. Don Tilley","Synthesis and Structure of PNP-Supported Iridium Silyl and Silylene Complexes: Catalytic Hydrosilation of Alkenes","Journal of the American Chemical Society","2009","131","","11161","11173","10.1021/ja903737j","","","0.71073","MoKα","","0.08","0.0459","","","0.0947","0.1052","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104825","11.9761","0.0006","16.7276","0.0008","19.2367","0.0009","70.984","0.001","77.004","0.001","89.949","0.001","3539.1","0.3","135","2","135","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H66 B11 Br6 Ir N P2 Si2 -","- C51 H66 B11 Br6 Ir N P2 Si2 -","- C102 H132 B22 Br12 Ir2 N2 P4 Si4 -","2","1","","Elisa Calimano; T. Don Tilley","Synthesis and Structure of PNP-Supported Iridium Silyl and Silylene Complexes: Catalytic Hydrosilation of Alkenes","Journal of the American Chemical Society","2009","131","","11161","11173","10.1021/ja903737j","","","0.71073","MoKα","","0.0582","0.04","","","0.0847","0.0887","","","","","","0.989","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104826","9.8899","0.0009","10.3026","0.001","10.4367","0.001","106.082","0.002","99.487","0.002","117.495","0.002","851.26","0.14","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H58 Co N4 S2 -","- C30 H58 Co N4 S2 -","- C30 H58 Co N4 S2 -","1","1","","Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm","Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States","Journal of the American Chemical Society","2009","131","","11213","11221","10.1021/ja903847a","","","0.71073","MoKα","","0.0519","0.0439","","","0.0871","0.0914","","","","","","0.936","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104827","19.057","0.003","12.78","0.0019","39.863","0.006","90","","92.948","0.003","90","","9696","3","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H84 Co4 P4 S4 -","- C36 Co4 P4 S4 -","- C288 Co32 P32 S32 -","8","1","","Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm","Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States","Journal of the American Chemical Society","2009","131","","11213","11221","10.1021/ja903847a","","","0.71073","MoKα","","0.0919","0.0749","","","0.1981","0.2109","","","","","","1.07","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104828","12.4418","0.0011","12.4418","0.0011","16.575","0.002","90","","90","","90","","2565.8","0.4","193","2","293","2","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C36 H84 B Co4 F4 P4 S4 -","- C36 H84 B Co4 F4 P4 S4 -","- C72 H168 B2 Co8 F8 P8 S8 -","2","0.125","","Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm","Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States","Journal of the American Chemical Society","2009","131","","11213","11221","10.1021/ja903847a","","","0.71073","MoKα","","0.026","0.0255","","","0.0672","0.0677","","","","","","1.009","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104829","14.321","0.003","20.38","0.005","18.726","0.004","90","","96.093","0.004","90","","5435","2","105","2","105","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H80 Co4 N8 S4 -","- C44 H80 Co4 N8 S4 -","- C176 H320 Co16 N32 S16 -","4","1","","Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm","Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States","Journal of the American Chemical Society","2009","131","","11213","11221","10.1021/ja903847a","","","0.71073","MoKα","","0.0205","0.02","","","0.0489","0.0492","","","","","","1.027","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104830","9.5068","0.0004","18.5603","0.0007","20.3237","0.0008","85.581","0.002","87.589","0.003","88.381","0.002","3571.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H100 B Co4 N8 S4 -","- C68 H100 B Co4 N8 S4 -","- C136 H200 B2 Co8 N16 S8 -","2","1","","Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm","Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States","Journal of the American Chemical Society","2009","131","","11213","11221","10.1021/ja903847a","","","0.71073","MoKα","","0.0597","0.0447","","","0.1117","0.1215","","","","","","1.034","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104831","12.3518","0.0006","12.4877","0.0006","13.9495","0.0007","73.96","0.001","84.74","0.001","64.229","0.001","1861.2","0.16","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H126 Co8 P6 S8 -","- C54 H126 Co8 P6 S8 -","- C54 H126 Co8 P6 S8 -","1","0.5","","Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm","Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States","Journal of the American Chemical Society","2009","131","","11213","11221","10.1021/ja903847a","","","0.71073","MoKα","","0.0393","0.0344","","","0.0893","0.094","","","","","","1.027","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104832","13.5596","0.0007","20.8973","0.001","41.467","0.002","86.085","0.001","81.22","0.001","88.473","0.001","11583.7","1","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H126 B Co8 F4 P6 S8 -","- C54 H98 B Co8 F4 P6 S8 -","- C324 H588 B6 Co48 F24 P36 S48 -","6","3","","Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm","Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States","Journal of the American Chemical Society","2009","131","","11213","11221","10.1021/ja903847a","","","0.71073","MoKα","","0.0785","0.0538","","","0.143","0.1589","","","","","","1.047","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104833","7.6286","0.0007","11.181","0.0012","12.0135","0.0013","107.145","0.005","95.759","0.005","105.904","0.004","923.21","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","SW-V-172b","sarpong09","","- C22 H24 N2 O2 S -","- C22 H24 N2 O2 S -","- C44 H48 N4 O4 S2 -","2","1","","Scott P. West; Alakesh Bisai; Andrew D. Lim; Raja R. Narayan; Richmond Sarpong","Total Synthesis of (+)-Lyconadin A and Related Compounds via Oxidative C-N Bond Formation","Journal of the American Chemical Society","2009","131","","11187","11194","10.1021/ja903868n","","","1.54178","CuKα","","0.0386","0.0381","","","0.1016","0.1021","","","","","","1.034","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104834","5.1506","0.0005","30.99","0.003","10.7824","0.0011","90","","90.789","0.007","90","","1720.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","SW-V-122d","sarpong05","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C76 H108 N4 O16 -","4","2","","Scott P. West; Alakesh Bisai; Andrew D. Lim; Raja R. Narayan; Richmond Sarpong","Total Synthesis of (+)-Lyconadin A and Related Compounds via Oxidative C-N Bond Formation","Journal of the American Chemical Society","2009","131","","11187","11194","10.1021/ja903868n","","","1.54178","CuKα","","0.049","0.0414","","","0.0969","0.1007","","","","","","1.04","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104835","7.3398","0.0007","8.3066","0.0008","13.8028","0.0013","84.584","0.002","75.864","0.002","68.311","0.002","758.28","0.13","139","2","139","2","","","","","","","","5","P -1","-P 1","2","SW-V-89","sarpong04","","- C16 H21 Cl N2 O -","- C16 H21 Cl N2 O -","- C32 H42 Cl2 N4 O2 -","2","1","","Scott P. West; Alakesh Bisai; Andrew D. Lim; Raja R. Narayan; Richmond Sarpong","Total Synthesis of (+)-Lyconadin A and Related Compounds via Oxidative C-N Bond Formation","Journal of the American Chemical Society","2009","131","","11187","11194","10.1021/ja903868n","","","0.71073","MoKα","","0.0581","0.0444","","","0.1087","0.1193","","","","","","1.028","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104836","11.129","0.001","14.816","0.002","13.034","0.001","90","","107.184","0.002","90","","2053.2","0.4","176.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O3 -","- C22 H32 N2 O3 -","- C88 H128 N8 O12 -","4","1","","Scott P. West; Alakesh Bisai; Andrew D. Lim; Raja R. Narayan; Richmond Sarpong","Total Synthesis of (+)-Lyconadin A and Related Compounds via Oxidative C-N Bond Formation","Journal of the American Chemical Society","2009","131","","11187","11194","10.1021/ja903868n","","","0.7107","MoKα","","0.0609","0.0403","","0.053","","0.0494","","","","","","1.818","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104837","10.5537","0.0008","10.9345","0.0007","11.9132","0.0008","69.127","0.001","83.691","0.001","77.491","0.001","1253.25","0.15","165.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 N2 O7 -","- C27 H32 N2 O7 -","- C54 H64 N4 O14 -","2","1","","Scott P. West; Alakesh Bisai; Andrew D. Lim; Raja R. Narayan; Richmond Sarpong","Total Synthesis of (+)-Lyconadin A and Related Compounds via Oxidative C-N Bond Formation","Journal of the American Chemical Society","2009","131","","11187","11194","10.1021/ja903868n","","","0.7107","MoKα","","0.0546","0.0386","","0.0593","","0.0546","","","","","","1.734","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104838","5.4233","0.0011","10.61","0.002","11.629","0.002","90","","90","","90","","669.1","0.2","200","2","200","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Eu2 N3 Si -","- Eu2 N3 Si -","- Eu16 N24 Si8 -","8","","","Martin Zeuner; Sandro Pagano; Philipp Matthes; Daniel Bichler; Dirk Johrendt; Thomas Harmening; Rainer Pöttgen; Wolfgang Schnick","Mixed Valence Europium Nitridosilicate Eu2SiN3","Journal of the American Chemical Society","2009","131","","11242","11248","10.1021/ja9040237","","","0.71073","MoKα","","0.0167","0.0159","","","0.0318","0.032","","","","","","1.182","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104839","14.707","0.0002","14.707","0.0002","10.8676","0.0003","90","","90","","120","","2035.69","0.07","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C36 H84 Cu8 F12 O12 P8 Se12 -","- C36 H84 Cu8 F12 O12 P8 Se12 -","- C36 H84 Cu8 F12 O12 P8 Se12 -","1","0.166667","","C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal","Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry","Journal of the American Chemical Society","2009","131","","11222","11233","10.1021/ja904089t","","","0.71073","MoKα","","0.0723","0.041","","","0.1062","0.119","","","","","","1.017","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104840","24.2417","0.0008","13.1352","0.0005","24.8846","0.0007","90","","91.783","0.001","90","","7919.9","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H84 Cu8 F7 O12 P7 Se12 -","- C36 H84 Cu8 F7 O12 P7 Se12 -","- C144 H336 Cu32 F28 O48 P28 Se48 -","4","0.5","","C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal","Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry","Journal of the American Chemical Society","2009","131","","11222","11233","10.1021/ja904089t","","","0.71073","MoKα","","0.1488","0.0535","","","0.1204","0.1495","","","","","","0.859","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104841","17.7369","0.0008","17.7369","0.0008","72.654","0.003","90","","90","","120","","19794.5","1.5","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C27 H63 Cu8 F7 O12 P7 Se12 -","- C27 H63 Cu8 F7 O12 P7 Se12 -","- C324 H756 Cu96 F84 O144 P84 Se144 -","12","0.333333","","C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal","Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry","Journal of the American Chemical Society","2009","131","","11222","11233","10.1021/ja904089t","","","0.71073","MoKα","","0.0772","0.0484","","","0.1568","0.1812","","","","","","1.131","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104842","24.254","0.003","13.0874","0.0014","24.861","0.004","90","","91.879","0.005","90","","7887.2","1.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H85 Cu8 F6 O12 P7 Se12 -","- C36 H83 Cu8 F6 O12 P7 Se12 -","- C144 H332 Cu32 F24 O48 P28 Se48 -","4","0.5","","C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal","Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry","Journal of the American Chemical Society","2009","131","","11222","11233","10.1021/ja904089t","","","0.71073","MoKα","","0.0917","0.0518","","","0.1309","0.1441","","","","","","1.053","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104843","17.6955","0.0003","17.6955","0.0003","71.878","0.003","90","","90","","120","","19491.8","0.9","298","2","298","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H61 Cu8 F6 O12 P7 Se12 -","- C24 H61 Cu8 F6 O12 P7 Se12 -","- C288 H732 Cu96 F72 O144 P84 Se144 -","12","0.333333","","C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal","Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry","Journal of the American Chemical Society","2009","131","","11222","11233","10.1021/ja904089t","","","0.71073","MoKα","","0.0685","0.0518","","","0.1505","0.162","","","","","","1.091","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104844","22.448","0.0003","22.448","0.0003","12.6834","0.0003","90","","90","","120","","5535.05","0.17","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H84 Cu8 O12 P6 S Se12 -","- C36 H84 Cu8 O12 P6 S Se12 -","- C108 H252 Cu24 O36 P18 S3 Se36 -","3","0.166667","","C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal","Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry","Journal of the American Chemical Society","2009","131","","11222","11233","10.1021/ja904089t","","","0.71073","MoKα","","0.0679","0.0368","","","0.0915","0.1053","","","","","","1.017","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104845","9.66","0.003","17.181","0.005","18.96","0.006","90","","90","","90","","3146.8","1.7","203","2","203","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H45 B N2 O2 S2 -","- C30 H41 B N2 O2 S2 -","- C120 H164 B4 N8 O8 S8 -","4","0.5","","Shau-Hua Ueng; Andrey Solovyev; Xinting Yuan; Steven J. Geib; Louis Fensterbank; Emmanuel Lacôte; Max Malacria; Martin Newcomb; John C. Walton; Dennis P. Curran","N-Heterocyclic Carbene Boryl Radicals: A New Class of Boron-Centered Radical","Journal of the American Chemical Society","2009","131","","11256","11262","10.1021/ja904103x","","","0.71073","MoKα","","0.1165","0.0911","","","0.2269","0.2337","","","","","","1.754","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104846","14.1188","0.0019","14.337","0.002","20.757","0.002","90","","90.754","0.009","90","","4201.3","0.9","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H57 B N2 O2 S2 -","- C41 H57 B N2 O2 S2 -","- C164 H228 B4 N8 O8 S8 -","4","1","","Shau-Hua Ueng; Andrey Solovyev; Xinting Yuan; Steven J. Geib; Louis Fensterbank; Emmanuel Lacôte; Max Malacria; Martin Newcomb; John C. Walton; Dennis P. Curran","N-Heterocyclic Carbene Boryl Radicals: A New Class of Boron-Centered Radical","Journal of the American Chemical Society","2009","131","","11256","11262","10.1021/ja904103x","","","0.71073","MoKα","","0.1788","0.0702","","","0.1694","0.2268","","","","","","1.019","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104847","9.0868","0.0003","12.6753","0.0005","17.8359","0.0007","82.848","0.001","78.796","0.001","80.426","0.001","1978.04","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TAP(Dipp)Au(3-hexyne)","","","- C38 H44 Au F14 N3 -","- C38 H44 Au F14 N3 -","- C76 H88 Au2 F28 N6 -","2","1","","H. V. Rasika Dias; Jaime A. Flores; Jiang Wu; Peter Kroll","Monomeric Copper(I), Silver(I), and Gold(I) Alkyne Complexes and the Coinage Metal Family Group Trends","Journal of the American Chemical Society","2009","131","","11249","11255","10.1021/ja904232v","","","0.71073","MoKα","","0.0323","0.032","","","0.0864","0.0866","","","","","","1.17","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104848","9.1036","0.0003","12.5604","0.0005","17.6485","0.0006","81.606","0.001","79.605","0.001","80.286","0.001","1942.49","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TAP(Dipp)Cu(3-hexyne)","","","- C38 H44 Cu F14 N3 -","- C38 H44 Cu F14 N3 -","- C76 H88 Cu2 F28 N6 -","2","1","","H. V. Rasika Dias; Jaime A. Flores; Jiang Wu; Peter Kroll","Monomeric Copper(I), Silver(I), and Gold(I) Alkyne Complexes and the Coinage Metal Family Group Trends","Journal of the American Chemical Society","2009","131","","11249","11255","10.1021/ja904232v","","","0.71073","MoKα","","0.0414","0.0379","","","0.0997","0.1025","","","","","","1.082","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104849","9.1356","0.0006","12.7961","0.0009","17.7376","0.0012","82.756","0.001","78.647","0.001","80.038","0.001","1993.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TAP(Dipp)Ag(3-hexyne)","","","- C38 H44 Ag F14 N3 -","- C38 H44 Ag F14 N3 -","- C76 H88 Ag2 F28 N6 -","2","1","","H. V. Rasika Dias; Jaime A. Flores; Jiang Wu; Peter Kroll","Monomeric Copper(I), Silver(I), and Gold(I) Alkyne Complexes and the Coinage Metal Family Group Trends","Journal of the American Chemical Society","2009","131","","11249","11255","10.1021/ja904232v","","","0.71073","MoKα","","0.0355","0.0333","","","0.0852","0.0869","","","","","","1.054","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104850","5.6745","0.0003","13.5498","0.0006","17.9944","0.0008","90","","90","","90","","1383.56","0.11","296","2","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 Br N2 O3 S -","- C12 H15 Br N2 O3 S -","- C48 H60 Br4 N8 O12 S4 -","4","1","","Daniel A. DiRocco; Kevin M. Oberg; Derek M. Dalton; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Heterocyclic Aldehydes with Nitroalkenes: Backbone Fluorination Improves Selectivity","Journal of the American Chemical Society","2009","131","","10872","10874","10.1021/ja904375q","","","0.71073","MoKα","","0.0455","0.0317","","","0.0543","0.0577","","","","","","0.876","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104851","9.9726","0.0003","7.6892","0.0002","11.052","0.0004","90","","102.604","0.002","90","","827.06","0.04","296","2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 B F10 N3 -","- C14 H12 B F10 N3 -","- C28 H24 B2 F20 N6 -","2","1","","Daniel A. DiRocco; Kevin M. Oberg; Derek M. Dalton; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Heterocyclic Aldehydes with Nitroalkenes: Backbone Fluorination Improves Selectivity","Journal of the American Chemical Society","2009","131","","10872","10874","10.1021/ja904375q","","","0.71073","MoKα","","0.0543","0.0388","","","0.0899","0.1026","","","","","","1.018","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104852","9.9082","0.0003","7.7653","0.0003","11.0984","0.0004","90","","106.157","0.002","90","","820.19","0.05","296","2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 B F10 N3 -","- C14 H12 B F10 N3 -","- C28 H24 B2 F20 N6 -","2","1","","Daniel A. DiRocco; Kevin M. Oberg; Derek M. Dalton; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Heterocyclic Aldehydes with Nitroalkenes: Backbone Fluorination Improves Selectivity","Journal of the American Chemical Society","2009","131","","10872","10874","10.1021/ja904375q","","","0.71073","MoKα","","0.0753","0.0518","","","0.1283","0.1502","","","","","","1.044","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104853","9.9143","0.0003","7.5803","0.0002","11.2293","0.0003","90","","107.608","0.001","90","","804.38","0.04","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 B F9 N3 -","- C14 H13 B F9 N3 -","- C28 H26 B2 F18 N6 -","2","1","","Daniel A. DiRocco; Kevin M. Oberg; Derek M. Dalton; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Heterocyclic Aldehydes with Nitroalkenes: Backbone Fluorination Improves Selectivity","Journal of the American Chemical Society","2009","131","","10872","10874","10.1021/ja904375q","","","0.71073","MoKα","","0.0863","0.0464","","","0.0778","0.0906","","","","","","1.013","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104854","10.8932","0.0008","7.6975","0.0005","16.135","0.0014","90","","98.254","0.004","90","","1338.91","0.18","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H6 B F10 N3 -","- C11 H6 B F10 N3 -","- C44 H24 B4 F40 N12 -","4","2","","Daniel A. DiRocco; Kevin M. Oberg; Derek M. Dalton; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Heterocyclic Aldehydes with Nitroalkenes: Backbone Fluorination Improves Selectivity","Journal of the American Chemical Society","2009","131","","10872","10874","10.1021/ja904375q","","","0.71073","MoKα","","0.081","0.0468","","","0.1013","0.123","","","","","","0.998","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104855","13.748","0.004","9.038","0.003","18.722","0.006","90","","94.1207","0.0013","90","","2320.3","1.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Cl N2 Sn -","- C26 H27 Cl N2 Sn -","- C104 H108 Cl4 N8 Sn4 -","4","1","","Junji Kobayashi; Tomokatsu Kushida; Takayuki Kawashima","Synthesis and Reversible Control of the Fluorescent Properties of a Divalent Tin Dipyrromethene","Journal of the American Chemical Society","2009","131","","10836","10837","10.1021/ja904470m","","","0.7107","MoKα","","0.0218","0.02","","","0.0541","0.0551","","","","","","1.075","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104856","11.3006","0.0005","14.5461","0.0001","16.9925","0.0001","67.311","0.009","80.428","0.011","81.174","0.011","2528.9","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H50 F6 N4 O6 S2 Sn2 -","- C49 H50 F6 N4 O6 S2 Sn2 -","- C98 H100 F12 N8 O12 S4 Sn4 -","2","1","","Junji Kobayashi; Tomokatsu Kushida; Takayuki Kawashima","Synthesis and Reversible Control of the Fluorescent Properties of a Divalent Tin Dipyrromethene","Journal of the American Chemical Society","2009","131","","10836","10837","10.1021/ja904470m","","","0.7107","MoKα","","0.0412","0.0369","","","0.0991","0.1027","","","","","","1.042","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104857","10.2743","0.0002","33.9203","0.0007","13.2436","0.0003","90","","96.521","0.002","90","","4585.63","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H64 Br2 Mo N2 O2 Si -","- C47 H64 Br2 Mo N2 O2 Si -","- C188 H256 Br8 Mo4 N8 O8 Si4 -","4","2","","Smaranda C. Marinescu; Richard R. Schrock; Peter Müller; Amir H. Hoveyda","Ethenolysis Reactions Catalyzed by Imido Alkylidene Monoaryloxide Monopyrrolide (MAP) Complexes of Molybdenum","Journal of the American Chemical Society","2009","131","","10840","10841","10.1021/ja904786y","","","1.54178","CuKα","","0.0541","0.0455","","","0.1062","0.111","","","","","","1.02","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104858","6.6601","0.0014","11.827","0.003","9.66","0.002","90","","97.035","0.003","90","","755.2","0.3","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C34 H52 O8 -","2","1","","Zhang Wang; Sun-Joon Min; Samuel J. Danishefsky","Total Synthesis and Structural Revision of (\±)-Tricholomalides A and B","Journal of the American Chemical Society","2009","131","","10848","10849","10.1021/ja9049433","","","0.71073","MoKα","","0.0432","0.0351","","","0.0868","0.0906","","","","","","1.054","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104859","6.2233","0.0005","16.3511","0.0013","17.7582","0.0014","99.257","0.001","93.699","0.001","96.031","0.001","1767.5","0.2","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","2","","Zhang Wang; Sun-Joon Min; Samuel J. Danishefsky","Total Synthesis and Structural Revision of (\±)-Tricholomalides A and B","Journal of the American Chemical Society","2009","131","","10848","10849","10.1021/ja9049433","","","0.71073","MoKα","","0.171","0.0686","","","0.1455","0.1856","","","","","","0.946","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104860","6.4098","0.001","13.194","0.002","21.041","0.003","90","","92.226","0.003","90","","1778.1","0.5","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Zhang Wang; Sun-Joon Min; Samuel J. Danishefsky","Total Synthesis and Structural Revision of (\±)-Tricholomalides A and B","Journal of the American Chemical Society","2009","131","","10848","10849","10.1021/ja9049433","","","0.71073","MoKα","","0.1485","0.047","","","0.0686","0.084","","","","","","0.835","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104861","33.206","0.003","6.6255","0.0006","19.8029","0.0019","90","","124.831","0.001","90","","3576.2","0.6","125","2","125","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C160 H224 O40 -","8","1","","Zhang Wang; Sun-Joon Min; Samuel J. Danishefsky","Total Synthesis and Structural Revision of (\±)-Tricholomalides A and B","Journal of the American Chemical Society","2009","131","","10848","10849","10.1021/ja9049433","","","0.71073","MoKα","","0.1364","0.0528","","","0.0939","0.117","","","","","","1.067","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104862","6.2107","0.0012","16.315","0.003","17.969","0.004","99.637","0.003","93.661","0.003","96.032","0.003","1779","0.6","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","2","","Zhang Wang; Sun-Joon Min; Samuel J. Danishefsky","Total Synthesis and Structural Revision of (\±)-Tricholomalides A and B","Journal of the American Chemical Society","2009","131","","10848","10849","10.1021/ja9049433","","","0.71073","MoKα","","0.1737","0.0867","","","0.2247","0.2755","","","","","","1.062","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104863","7.8612","0.0017","11.015","0.002","16.196","0.004","90","","90","","90","","1402.4","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(dimethylamino)[3,2-c:2?,3?-e] dithieno-1,2-dihydro-1,2-Diborin","","- C12 H16 B2 N2 S2 -","- C12 H16 B2 N2 S2 -","- C48 H64 B8 N8 S8 -","4","1","","Atsushi Wakamiya; Kenji Mori; Takafumi Araki; Shigehiro Yamaguchi","A B-B Bond-Containing Polycyclic π-Electron System: Dithieno-1,2-dihydro-1,2-diborin and Its Dianion","Journal of the American Chemical Society","2009","131","","10850","10851","10.1021/ja905007s","","","0.7107","MoKa","","0.045","0.0368","","","0.073","0.0759","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104864","13.835","0.004","24.235","0.007","38.188","0.011","90","","99.229","0.004","90","","12638","6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[potassium[2.2.2]cryptand]salt of 1,2-bis(dimethylamino)[3,2-c:2',3'-e] dithieno-1,2-dihydro-1,2-diborin","","- C54 H96 B2 K2 N6 O13.5 S2 -","- C54 H96 B2 K2 N6 O13.5 S2 -","- C432 H768 B16 K16 N48 O108 S16 -","8","1","","Atsushi Wakamiya; Kenji Mori; Takafumi Araki; Shigehiro Yamaguchi","A B-B Bond-Containing Polycyclic π-Electron System: Dithieno-1,2-dihydro-1,2-diborin and Its Dianion","Journal of the American Chemical Society","2009","131","","10850","10851","10.1021/ja905007s","","","0.7107","MoKa","","0.0871","0.074","","","0.183","0.1945","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104865","29.375","0.0019","15.1467","0.0013","7.5187","0.0007","90","","91.578","0.007","90","","3344.1","0.5","568","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","eric01","eric01","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C152 H136 N24 O8 -","8","1","","Antonio Barbon; Eric D. Bott; Marina Brustolon; Marianna Fabris; Bart Kahr; Werner Kaminsky; Philip J. Reid; Susanna M. Wong; Kristin L. Wustholz; Roberto Zanré","Triplet States of the Nonlinear Optical Chromophore DCM in Single Crystals of Potassium Hydrogen Phthalate and Their Relationship to Single-Molecule Dark States","Journal of the American Chemical Society","2009","131","","11548","11557","10.1021/ja903284y","","","0.71073","MoKα","","0.2459","0.0774","","","0.1326","0.1834","","","","","","0.978","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104866","9.6071","0.0011","9.8809","0.0012","10.5968","0.0013","113.932","0.002","96.489","0.002","98.884","0.002","891.06","0.19","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 F4 Li2 O4 -","- C38 H42 F4 Li2 O4 -","- C38 H42 F4 Li2 O4 -","1","0.5","","Kristopher J. Kolonko; Margaret M. Biddle; Ilia A. Guzei; Hans J. Reich","Solution Structures of Lithium Enolates of Cyclopentanone, Cyclohexanone, Acetophenones, and Benzyl Ketones. Triple Ions and Higher Lithiate Complexes","Journal of the American Chemical Society","2009","131","","11525","11534","10.1021/ja903479p","","","0.71073","Mo-Kα","","0.0669","0.0575","","","0.1545","0.1606","","","","","","0.988","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104867","17.9816","0.0013","14.5976","0.0011","18.1807","0.0013","90","","104.052","0.001","90","","4629.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Li N3 O -","- C24 H36 Li N3 O -","- C192 H288 Li8 N24 O8 -","8","2","","Kristopher J. Kolonko; Margaret M. Biddle; Ilia A. Guzei; Hans J. Reich","Solution Structures of Lithium Enolates of Cyclopentanone, Cyclohexanone, Acetophenones, and Benzyl Ketones. Triple Ions and Higher Lithiate Complexes","Journal of the American Chemical Society","2009","131","","11525","11534","10.1021/ja903479p","","","0.71073","Cu-Kα","","0.0625","0.0411","","","0.0963","0.1111","","","","","","0.998","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104868","6.5841","0.00012","11.814","0.0002","18.4736","0.0003","90","","90","","90","","1436.96","0.04","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 O3 S -","- C13 H19 N3 O3 S -","- C52 H76 N12 O12 S4 -","4","1","","Takuya Hashimoto; Hisashi Miyamoto; Yuki Naganawa; Keiji Maruoka","Stereoselective Synthesis of α-Alkyl-β-keto Imides via Asymmetric Redox C-C Bond Formation between α-Alkyl-α-diazocarbonyl Compounds and Aldehydes","Journal of the American Chemical Society","2009","131","","11280","11281","10.1021/ja903500w","","","1.54187","CuKα","","","0.0308","","","","0.0813","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104869","7.8202","0.0002","10.7146","0.0003","23.3533","0.0006","90","","91.2291","0.0016","90","","1956.33","0.09","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 N O4 S -","- C21 H27 N O4 S -","- C84 H108 N4 O16 S4 -","4","2","","Takuya Hashimoto; Hisashi Miyamoto; Yuki Naganawa; Keiji Maruoka","Stereoselective Synthesis of α-Alkyl-β-keto Imides via Asymmetric Redox C-C Bond Formation between α-Alkyl-α-diazocarbonyl Compounds and Aldehydes","Journal of the American Chemical Society","2009","131","","11280","11281","10.1021/ja903500w","","","1.54187","CuKα","","","0.0462","","","","0.1081","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104870","11.581","0.0002","15.0562","0.0003","24.723","0.0005","90","","90","","90","","4310.85","0.14","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 N O4 S -","- C21 H35 N O4 S -","- C168 H280 N8 O32 S8 -","8","2","","Takuya Hashimoto; Hisashi Miyamoto; Yuki Naganawa; Keiji Maruoka","Stereoselective Synthesis of α-Alkyl-β-keto Imides via Asymmetric Redox C-C Bond Formation between α-Alkyl-α-diazocarbonyl Compounds and Aldehydes","Journal of the American Chemical Society","2009","131","","11280","11281","10.1021/ja903500w","","","1.54187","CuKα","","","0.038","","","","0.0956","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104871","24.9897","0.0006","15.0876","0.0004","39.2517","0.001","90","","94.208","0.001","90","","14759.4","0.6","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Gd3N@C8.NiOEP.1.5benzene","","","- C123 H53 Gd3 N5 Ni -","- C122.922 H53 Gd2.99 N5 Ni -","- C983.376 H424 Gd23.92 N40 Ni8 -","8","1","","Christine M. Beavers; Manuel N. Chaur; Marilyn M. Olmstead; Luis Echegoyen; Alan L. Balch","Large Metal Ions in a Relatively Small Fullerene Cage: The Structure of Gd3N@C2(22010)-C78 Departs from the Isolated Pentagon Rule","Journal of the American Chemical Society","2009","131","","11519","11524","10.1021/ja903741r","","","0.7749","synchrotron","","0.1203","0.096","","","0.2762","0.3026","","","","","","1.017","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104872","14.0138","0.0004","14.0734","0.0002","25.1493","0.0005","98.207","0.001","105.1","0.001","91.949","0.001","4726.52","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C79.5 H93 F24 N12.5 O8 P4 S4 -","- C79.5 H93 F24 N12.5 O8 P4 S4 -","- C159 H186 F48 N25 O16 P8 S8 -","2","1","","Jason M. Spruell; Walter F. Paxton; John-Carl Olsen; Diego Benítez; Ekaterina Tkatchouk; Charlotte L. Stern; Ali Trabolsi; Douglas C. Friedman; William A. Goddard; J. Fraser Stoddart","A Push-Button Molecular Switch","Journal of the American Chemical Society","2009","131","","11571","11580","10.1021/ja904104c","","","1.54178","CuKα","","0.1078","0.0979","","","0.2589","0.2687","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104873","4.8806","0.0004","18.8242","0.0014","11.1298","0.0008","90","","99.26","0.005","90","","1009.21","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","firefly oxylcuiferin","","","- C10 H6 N2 O2 S2 -","- C10 H6 N2 O2 S2 -","- C40 H24 N8 O8 S8 -","4","1","","Panče Naumov; Yutaka Ozawa; Kei Ohkubo; Shunichi Fukuzumi","Structure and Spectroscopy of Oxyluciferin, the Light Emitter of the Firefly Bioluminescence","Journal of the American Chemical Society","2009","131","","11590","11605","10.1021/ja904309q","","","0.71073","MoKα","","0.0913","0.0524","","","0.1239","0.1412","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104874","6.3027","0.0004","14.8046","0.001","11.6515","0.0007","90","","91.419","0.004","90","","1086.86","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-methyloxyluciferin","","","- C11 H8 N2 O2 S2 -","- C11 H8 N2 O2 S2 -","- C44 H32 N8 O8 S8 -","4","1","","Panče Naumov; Yutaka Ozawa; Kei Ohkubo; Shunichi Fukuzumi","Structure and Spectroscopy of Oxyluciferin, the Light Emitter of the Firefly Bioluminescence","Journal of the American Chemical Society","2009","131","","11590","11605","10.1021/ja904309q","","","0.71073","MoKα","","0.0546","0.0337","","","0.0875","0.0984","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104875","14.1478","0.0012","21.5812","0.0019","10.934","0.001","90","","90","","90","","3338.4","0.5","193","2","193","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C36 H40 N2 O4 S Zn -","- C36 H40 N2 O4 S Zn -","- C144 H160 N8 O16 S4 Zn4 -","4","1","","Yunmi Lee; Bo Li; Amir H. Hoveyda","Stereogenic-at-Metal Zn- and Al-Based N-Heterocyclic Carbene (NHC) Complexes as Bifunctional Catalysts in Cu-Free Enantioselective Allylic Alkylations","Journal of the American Chemical Society","2009","131","","11625","11633","10.1021/ja904654j","","","0.71073","MoKα","","0.0952","0.0584","","","0.0996","0.1118","","","","","","1.001","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104876","9.4495","0.0007","15.3667","0.0011","20.6704","0.0015","90","","90","","90","","3001.5","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Al N2 O3 S -","- C32 H33 Al N2 O3 S -","- C128 H132 Al4 N8 O12 S4 -","4","1","","Yunmi Lee; Bo Li; Amir H. Hoveyda","Stereogenic-at-Metal Zn- and Al-Based N-Heterocyclic Carbene (NHC) Complexes as Bifunctional Catalysts in Cu-Free Enantioselective Allylic Alkylations","Journal of the American Chemical Society","2009","131","","11625","11633","10.1021/ja904654j","","","0.71073","MoKα","","0.071","0.0481","","","0.1027","0.1139","","","","","","1.027","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104877","12.423","0.003","12.716","0.002","12.478","0.002","90","","114.238","0.019","90","","1797.4","0.7","110","","110","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C44 H20 F8 Fe N5 O3 -","- C44 H20 F8 Fe N5 O3 -","- C88 H40 F16 Fe2 N10 O6 -","2","1","","Mark P. Schopfer; Biplab Mondal; Dong-Heon Lee; Amy A. N. Sarjeant; Kenneth D. Karlin","Heme/O2/.NO Nitric Oxide Dioxygenase (NOD) Reactivity: Phenolic Nitration via a Putative Heme-Peroxynitrite Intermediate","Journal of the American Chemical Society","2009","131","","11304","11305","10.1021/ja904832j","","","0.71073","MoKα","","0.0614","0.0473","","","0.1264","0.1331","","","","","","1.064","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104878","8.182","0.004","15.809","0.009","8.773","0.005","90","","94.5764","0.0018","90","","1131.2","1.1","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H10 Cl N -","- C15 H10 Cl N -","- C60 H40 Cl4 N4 -","4","1","","Fumitoshi Kakiuchi; Takuya Kochi; Hitoshi Mutsutani; Noboru Kobayashi; Seiya Urano; Mitsuo Sato; Shigeru Nishiyama; Takamasa Tanabe","Palladium-Catalyzed Aromatic C-H Halogenation with Hydrogen Halides by Means of Electrochemical Oxidation","Journal of the American Chemical Society","2009","131","","11310","11311","10.1021/ja9049228","","","0.7107","MoKα","","0.034","0.0307","","","0.084","0.0865","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104879","8.1561","0.0011","11.9398","0.0009","11.813","0.001","90","","101.498","0.0013","90","","1127.3","0.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Fumitoshi Kakiuchi; Takuya Kochi; Hitoshi Mutsutani; Noboru Kobayashi; Seiya Urano; Mitsuo Sato; Shigeru Nishiyama; Takamasa Tanabe","Palladium-Catalyzed Aromatic C-H Halogenation with Hydrogen Halides by Means of Electrochemical Oxidation","Journal of the American Chemical Society","2009","131","","11310","11311","10.1021/ja9049228","","","0.7107","MoKα","","0.0334","0.029","","","0.0768","0.0798","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104880","9.6015","0.0016","12.896","0.002","16.782","0.003","90","","92.29","0.003","90","","2076.3","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","1","","Anoklase Jean-Luc Ayitou; Josepha L. Jesuraj; Nilotpal Barooah; Angel Ugrinov; J. Sivaguru","Enantiospecific Photochemical Norrish/Yang Type II Reaction of Nonbiaryl Atropchiral α-Oxoamides in Solution-Axial to Point Chirality Transfer","Journal of the American Chemical Society","2009","131","","11314","11315","10.1021/ja9050586","","","0.71073","MoKα","","0.0786","0.0551","","","0.1636","0.1817","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104881","9.857","0.01","15.906","0.016","10.917","0.011","90","","104.238","0.019","90","","1659","3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Anoklase Jean-Luc Ayitou; Josepha L. Jesuraj; Nilotpal Barooah; Angel Ugrinov; J. Sivaguru","Enantiospecific Photochemical Norrish/Yang Type II Reaction of Nonbiaryl Atropchiral α-Oxoamides in Solution-Axial to Point Chirality Transfer","Journal of the American Chemical Society","2009","131","","11314","11315","10.1021/ja9050586","","","0.71073","MoKα","","0.0979","0.069","","","0.1913","0.2252","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104882","8.747","0.005","21.195","0.013","9.869","0.006","90","","114.92","0.012","90","","1659.3","1.7","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Anoklase Jean-Luc Ayitou; Josepha L. Jesuraj; Nilotpal Barooah; Angel Ugrinov; J. Sivaguru","Enantiospecific Photochemical Norrish/Yang Type II Reaction of Nonbiaryl Atropchiral α-Oxoamides in Solution-Axial to Point Chirality Transfer","Journal of the American Chemical Society","2009","131","","11314","11315","10.1021/ja9050586","","","0.71073","MoKα","","0.1079","0.068","","","0.2137","0.2481","","","","","","1.07","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104883","23.583","0.007","23.72","0.007","21.193","0.006","90","","108.667","0.004","90","","11231","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PdCl2(CNArDipp2)2","","","- C62 H74 Cl2 N2 Pd -","- C62 H74 Cl2 N2 Pd -","- C496 H592 Cl16 N16 Pd8 -","8","2","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","0.71073","MoKα","","0.0688","0.044","","","0.1087","0.1249","","","","","","1.029","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104884","16.388","0.004","16.778","0.004","21.88","0.006","90","","96.164","0.012","90","","5981","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pd(CNArDipp2)2","","","- C66 H82 N2 O Pd -","- C66 H82 N2 O Pd -","- C264 H328 N8 O4 Pd4 -","4","1","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","0.71073","MoKα","","0.0903","0.0459","","","0.1064","0.1244","","","","","","1.037","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104885","17.334","0.003","18.742","0.004","19.677","0.004","90","","90","","90","","6393","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Pd(Cl)(CH2Ph)(CNArDipp2)2","","","- C73 H89 Cl N2 O Pd -","- C73 H89 Cl N2 O Pd -","- C292 H356 Cl4 N8 O4 Pd4 -","4","1","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","0.71073","MoKα","","0.0486","0.0407","","","0.0784","0.0837","","","","","","1.099","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104886","12.2424","0.001","14.6791","0.0011","18.6713","0.0015","90","","90.998","0.004","90","","3354.9","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Pd(Br)(Mes)(CNArDipp2)2","","","- C75 H95 Br N2 O Pd -","- C75 H95 Br N2 O Pd -","- C150 H190 Br2 N4 O2 Pd2 -","2","1","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","1.54178","CuKα","","0.0305","0.0273","","","0.059","0.0603","","","","","","0.995","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104887","13.964","0.003","16.224","0.003","17.605","0.004","67.2","0.03","70.62","0.03","71.18","0.03","3381.1","1.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[TlPd(CNArDipp2)2]OTf","","","- C63 H74 F3 N2 O3 Pd S Tl -","- C63 H74 F3 N2 O3 Pd S Tl -","- C126 H148 F6 N4 O6 Pd2 S2 Tl2 -","2","1","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","0.71073","MoKα","","0.0628","0.045","","","0.0956","0.1053","","","","","","1.049","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104888","12.285","0.0004","16.4373","0.0006","13.7484","0.0005","90","","95.637","0.002","90","","2762.82","0.17","102","2","102","2","","","","","","","","5","P 1 21 1","P 2yb","4","(O2)Pd(CNArDipp2)2","","","- C62 H74 N2 O2 Pd -","- C62 H74 N2 O2 Pd -","- C124 H148 N4 O4 Pd2 -","2","1","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","1.54178","CuKα","","0.0311","0.0268","","","0.0622","0.0786","","","","","","1.035","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104889","28.359","0.015","17.767","0.009","16.697","0.009","90","","114.925","0.007","90","","7629","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pd(ONPh)2(CNArDipp2)2","","","- C78 H94 N4 O3 Pd -","- C78 H94 N4 O3 Pd -","- C312 H376 N16 O12 Pd4 -","4","0.5","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","0.71073","MoKα","","0.045","0.0373","","","0.129","0.1353","","","","","","1.084","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104890","7.0684","0.0007","23.052","0.0015","18.1015","0.0015","90","0.005","90.643","0.004","90","0.005","2949.3","0.4","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 Br N3 O3 -","- C13 H14 Br N3 O3 -","- C104 H112 Br8 N24 O24 -","8","4","","Christopher F. Bender; Francis K. Yoshimoto; Christopher L. Paradise; Jef K. De Brabander","A Concise Synthesis of Berkelic Acid Inspired by Combining the Natural Products Spicifernin and Pulvilloric Acid","Journal of the American Chemical Society","2009","131","","11350","11352","10.1021/ja905387r","","","0.71069","MoKα","","0.1396","0.0636","","","0.11","0.138","","","","","","1.002","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104891","15.817","0.003","17.21","0.003","15.875","0.003","90","","94.079","0.003","90","","4310.4","1.4","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 B Cl6 F4 N P2 Pd S2 -","- C34 H38 B Cl6 F4 N P2 Pd S2 -","- C136 H152 B4 Cl24 F16 N4 P8 Pd4 S8 -","4","1","","Jerzy W. Wiench; Christophe Michon; Arkady Ellern; Paul Hazendonk; Adriana Iuga; Robert J. Angelici; Marek Pruski","Solid-State NMR Investigations of the Immobilization of a BF4- Salt of a Palladium(II) Complex on Silica","Journal of the American Chemical Society","2009","131","","11801","11810","10.1021/ja902982u","","","0.71073","MoKα","","0.0579","0.0442","","","0.1173","0.1305","","","","","","1.044","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104892","9.6443","0.0004","16.8924","0.0008","12.6854","0.0006","90","","107.826","0.002","90","","1967.43","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 B F4 N4 -","- C19 H23 B F4 N4 -","- C76 H92 B4 F16 N16 -","4","1","","Israel Fernández; C. Adam Dyker; Alan DeHope; Bruno Donnadieu; Gernot Frenking; Guy Bertrand","Exocyclic Delocalization at the Expense of Aromaticity in 3,5-bis(π-Donor) Substituted Pyrazolium Ions and Corresponding Cyclic Bent Allenes","Journal of the American Chemical Society","2009","131","","11875","11881","10.1021/ja903396e","","","0.71073","MoKα","","0.0528","0.0417","","","0.122","0.1288","","","","","","1.067","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104893","9.1713","0.0002","10.9023","0.0003","11.3064","0.0003","90","","100.156","0.001","90","","1112.79","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 B2 F8 N4 -","- C19 H24 B2 F8 N4 -","- C38 H48 B4 F16 N8 -","2","1","","Israel Fernández; C. Adam Dyker; Alan DeHope; Bruno Donnadieu; Gernot Frenking; Guy Bertrand","Exocyclic Delocalization at the Expense of Aromaticity in 3,5-bis(π-Donor) Substituted Pyrazolium Ions and Corresponding Cyclic Bent Allenes","Journal of the American Chemical Society","2009","131","","11875","11881","10.1021/ja903396e","","","0.71073","MoKα","","0.0362","0.0344","","","0.0927","0.0943","","","","","","1.043","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104894","7.5453","0.0004","9.7332","0.0006","27.3553","0.0016","90","","90","","90","","2009","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O6 S2 -","- C20 H19 N3 O6 S2 -","- C80 H76 N12 O24 S8 -","4","1","","Le Li; Madhu Ganesh; Daniel Seidel","Catalytic Enantioselective Synthesis of α,β-Diamino Acid Derivatives","Journal of the American Chemical Society","2009","131","","11648","11649","10.1021/ja9034494","","","0.71073","MoKα","","0.0494","0.0449","","","0.0968","0.0991","","","","","","1","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104895","11.5766","0.0005","7.3289","0.0003","14.242","0.0007","90","","100.941","0.001","90","","1186.38","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21.75 H20.5 Cl1.5 N3 O5 S2 -","- C21.74 H20.48 Cl1.48 N3 O5 S2 -","- C43.48 H40.96 Cl2.96 N6 O10 S4 -","2","1","","Le Li; Madhu Ganesh; Daniel Seidel","Catalytic Enantioselective Synthesis of α,β-Diamino Acid Derivatives","Journal of the American Chemical Society","2009","131","","11648","11649","10.1021/ja9034494","","","0.71073","MoKα","","0.0525","0.0461","","","0.1083","0.1121","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104896","8.2055","0.0005","18.3154","0.0011","20.732","0.0012","90","","90","","90","","3115.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 N4 O7 S3 -","- C28 H36 N4 O7 S3 -","- C112 H144 N16 O28 S12 -","4","1","","Le Li; Madhu Ganesh; Daniel Seidel","Catalytic Enantioselective Synthesis of α,β-Diamino Acid Derivatives","Journal of the American Chemical Society","2009","131","","11648","11649","10.1021/ja9034494","","","0.71073","MoKα","","0.0678","0.0495","","","0.1049","0.113","","","","","","1.005","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104897","27.0173","0.0004","27.0173","0.0004","29.017","0.0005","90","","90","","90","","21180.5","0.6","150","2","150","2","","","","","","","","6","I 4/m m m","-I 4 2","139","[Co32(C40H44S4O4)6(u3-O)24(H2O)24](CHCl3)12(H2O)110","","","- C252 H544 Cl36 Co32 O182 S24 -","- C240 H264 Co32 O72 S24 -","- C480 H528 Co64 O144 S48 -","2","0.0625","","Yanfeng Bi; Xiu-Teng Wang; Wuping Liao; Xiaofei Wang; Xinwu Wang; Hongjie Zhang; Song Gao","A {Co32} Nanosphere Supported by p-tert-Butylthiacalix[4]arene","Journal of the American Chemical Society","2009","131","","11650","11651","10.1021/ja9034939","","","0.71073","MoKα","","0.1007","0.0962","","","0.2726","0.2793","","","","","","1.087","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4104898","25.1839","0.0018","25.1839","0.0018","35.168","0.003","90","","90","","90","","22305","3","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","[Co32(C40H44S4O4)6(u3-O)24(H2O)24](CHCl3)12(H2O)69","","","- C252 H462 Cl36 Co32 O141 S24 -","- C240 H264 Co32 O72 S24 -","- C480 H528 Co64 O144 S48 -","2","0.125","","Yanfeng Bi; Xiu-Teng Wang; Wuping Liao; Xiaofei Wang; Xinwu Wang; Hongjie Zhang; Song Gao","A {Co32} Nanosphere Supported by p-tert-Butylthiacalix[4]arene","Journal of the American Chemical Society","2009","131","","11650","11651","10.1021/ja9034939","","","0.71073","MoKα","","0.0969","0.0847","","","0.261","0.2731","","","","","","1.067","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4104899","24.567","0.002","24.567","0.002","61.843","0.006","90","","90","","120","","32324","5","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","[Co32(C40H44S4O4)6(u3-O)24(H2O)24](C7H8)16(H2O)73","","","- C352 H586 Co32 O145 S24 -","- C240 H264 Co32 O72 S24 -","- C720 H792 Co96 O216 S72 -","3","0.166667","","Yanfeng Bi; Xiu-Teng Wang; Wuping Liao; Xiaofei Wang; Xinwu Wang; Hongjie Zhang; Song Gao","A {Co32} Nanosphere Supported by p-tert-Butylthiacalix[4]arene","Journal of the American Chemical Society","2009","131","","11650","11651","10.1021/ja9034939","","","0.71073","MoKα","","0.21","0.0814","","","0.2128","0.2469","","","","","","0.887","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4104900","7.115","0.001","20.084","0.004","20.49","0.004","90","","90","","90","","2928","0.9","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H36 Cl8 N8 O2 Rh2 Zn -","- C12 H36 Cl8 N8 O2 Rh2 Zn -","- C48 H144 Cl32 N32 O8 Rh8 Zn4 -","4","1","","Marja Hyvärinen; Juha Vaara; Anna Goldammer; Barbara Kutzky; Kaspar Hegetschweiler; Martin Kaupp; Michal Straka","Characteristic Spin-Orbit Induced 1H(CH2) Chemical Shifts upon Deprotonation of Group 9 Polyamine Aqua and Alcohol Complexes","Journal of the American Chemical Society","2009","131","","11909","11918","10.1021/ja903637m","","","0.71073","MoKα","","0.0309","0.0291","","","0.0694","0.0699","","","","","","0.996","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104901","6.539","0.002","13.164","0.004","14.645","0.004","65.821","0.003","79.428","0.004","85.202","0.004","1130.5","0.6","143","2","143","2","","","","","","","","4","P -1","-P 1","2","12-060B","toste02","","- C28 H27 N2 O3 -","- C28 H27 N2 O3 -","- C56 H54 N4 O6 -","2","1","","Nathan D. Shapiro; Yun Shi; F. Dean Toste","Gold-Catalyzed [3+3]-Annulation of Azomethine Imines with Propargyl Esters","Journal of the American Chemical Society","2009","131","","11654","11655","10.1021/ja903863b","","","0.71073","MoKα","","0.1928","0.0822","","","0.1485","0.1907","","","","","","1.009","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104902","10.4286","0.0017","11.2717","0.0019","11.714","0.002","79.044","0.003","86.108","0.002","88.648","0.003","1348.7","0.4","152","2","152","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H36 N2 O4 -","- C29 H36 N2 O4 -","- C58 H72 N4 O8 -","2","1","","Nathan D. Shapiro; Yun Shi; F. Dean Toste","Gold-Catalyzed [3+3]-Annulation of Azomethine Imines with Propargyl Esters","Journal of the American Chemical Society","2009","131","","11654","11655","10.1021/ja903863b","","","0.71073","MoKα","","0.0794","0.041","","","0.119","0.1484","","","","","","0.964","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104903","7.2741","0.0007","11.956","0.001","13.775","0.002","93.247","0.002","97.858","0.002","104.157","0.003","1145.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H30 N6 O3 -","- C23 H30 N6 O3 -","- C46 H60 N12 O6 -","2","1","","Bo Jiang; Shu-Jiang Tu; Parminder Kaur; Walter Wever; Guigen Li","Four-Component Domino Reaction Leading to Multifunctionalized Quinazolines","Journal of the American Chemical Society","2009","131","","11660","11661","10.1021/ja904011s","","","0.71073","MoKα","","0.0874","0.0476","","","0.1083","0.1342","","","","","","1.012","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104904","9.9003","0.0012","14.2621","0.0015","15.4218","0.0019","78.214","0.001","74.135","0.001","89.33","0.002","2048.2","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H51 N9 O5 -","- C43 H51 N9 O5 -","- C86 H102 N18 O10 -","2","1","","Bo Jiang; Shu-Jiang Tu; Parminder Kaur; Walter Wever; Guigen Li","Four-Component Domino Reaction Leading to Multifunctionalized Quinazolines","Journal of the American Chemical Society","2009","131","","11660","11661","10.1021/ja904011s","","","0.71073","MoKα","","0.3341","0.092","","","0.1002","0.1364","","","","","","0.922","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104905","5.58542","0.0001","9.57633","0.00017","18.7881","0.0003","90","","90","","90","","1004.93","0.03","103.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C48 H56 O8 -","4","1","","I-Hon Chen; Liang Yin; Wataru Itano; Motomu Kanai; Masakatsu Shibasaki","Catalytic Asymmetric Synthesis of Chiral Tertiary Organoboronic Esters through Conjugate Boration of β-Substituted Cyclic Enones","Journal of the American Chemical Society","2009","131","","11664","11665","10.1021/ja9045839","","","1.54187","CuKα","","","0.0327","","","","0.0843","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104906","8.40672","0.00019","10.169","0.0002","17.6972","0.0004","90","","90","","90","","1512.9","0.06","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","I-Hon Chen; Liang Yin; Wataru Itano; Motomu Kanai; Masakatsu Shibasaki","Catalytic Asymmetric Synthesis of Chiral Tertiary Organoboronic Esters through Conjugate Boration of β-Substituted Cyclic Enones","Journal of the American Chemical Society","2009","131","","11664","11665","10.1021/ja9045839","","","1.54187","CuKα","","","0.0345","","","","0.0857","","","","","","0.835","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104907","9.0638","0.0007","24.795","0.0018","12.9383","0.0009","90","","94.374","0.001","90","","2899.2","0.4","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N6 O6 -","- C32 H26 N6 O6 -","- C128 H104 N24 O24 -","4","1","","Neng-Fang She; Meng Gao; Xiang-Gao Meng; Guang-Fu Yang; Johannes A. A. W. Elemans; An-Xin Wu; Lyle Isaacs","Supramolecular Rhombic Grids Formed from Bimolecular Building Blocks","Journal of the American Chemical Society","2009","131","","11695","11697","10.1021/ja904920r","","","0.71073","MoKα","","0.079","0.0524","","","0.1302","0.1415","","","","","","0.929","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104908","9.1972","0.0008","24.688","0.002","13.7801","0.0012","90","","93.996","0.002","90","","3121.3","0.5","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 N12 O12 -","- C68 H48 N12 O12 -","- C136 H96 N24 O24 -","2","0.5","","Neng-Fang She; Meng Gao; Xiang-Gao Meng; Guang-Fu Yang; Johannes A. A. W. Elemans; An-Xin Wu; Lyle Isaacs","Supramolecular Rhombic Grids Formed from Bimolecular Building Blocks","Journal of the American Chemical Society","2009","131","","11695","11697","10.1021/ja904920r","","","0.71073","MoKα","","0.1064","0.054","","","0.1453","0.1659","","","","","","1.027","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104909","13.0506","0.0013","15.4094","0.0015","16.2829","0.0016","90","","97.462","0.002","90","","3246.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N6 O5 -","- C38 H26 N6 O5 -","- C152 H104 N24 O20 -","4","1","","Neng-Fang She; Meng Gao; Xiang-Gao Meng; Guang-Fu Yang; Johannes A. A. W. Elemans; An-Xin Wu; Lyle Isaacs","Supramolecular Rhombic Grids Formed from Bimolecular Building Blocks","Journal of the American Chemical Society","2009","131","","11695","11697","10.1021/ja904920r","","","0.71073","MoKα","","0.1644","0.0794","","","0.1935","0.2283","","","","","","0.996","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104910","23.4302","0.0011","16.0237","0.0007","18.8649","0.0009","90","","114.012","0.001","90","","6469.7","0.5","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N6 O6 -","- C32 H30 N6 O6 -","- C256 H240 N48 O48 -","8","1","","Neng-Fang She; Meng Gao; Xiang-Gao Meng; Guang-Fu Yang; Johannes A. A. W. Elemans; An-Xin Wu; Lyle Isaacs","Supramolecular Rhombic Grids Formed from Bimolecular Building Blocks","Journal of the American Chemical Society","2009","131","","11695","11697","10.1021/ja904920r","","","0.71073","MoKα","","0.1169","0.0655","","","0.174","0.1963","","","","","","0.932","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104911","15.154","0.004","8.887","0.002","15.525","0.003","90","","93.895","0.005","90","","2086","0.8","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","Potassium (R)-1,1'-binaphthyl-2,2'-disulfonate","","","- C20 H12 K2 O7.5 S2 -","- C20 H12 K2 O7.5 S2 -","- C80 H48 K8 O30 S8 -","4","2","","Manabu Hatano; Toshikatsu Maki; Katsuhiko Moriyama; Manabu Arinobe; Kazuaki Ishihara","Pyridinium 1,1'-Binaphthyl-2,2'-disulfonates as Highly Effective Chiral Brønsted Acid-Base Combined Salt Catalysts for Enantioselective Mannich-Type Reaction","Journal of the American Chemical Society","2009","131","","12015","12015","","","","0.71073","MoKα","","0.06","0.0455","","","0.1003","0.1073","","","","","","1.012","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4104912","11.116","0.002","12.684","0.003","17.491","0.003","75.86","0.02","86.89","0.02","73.76","0.02","2295.7","0.8","240","1","240","1","","","","","","","","3","P -1","-P 1","2","Dimitry-71","","","- C36 H85 Si6 -","- C36 H85 Si6 -","- C72 H170 Si12 -","2","1","","Gregory Molev; Boris Tumanskii; Dennis Sheberla; Mark Botoshansky; Dmitry Bravo-Zhivotovskii; Yitzhak Apeloig","Isolable Photoreactive Polysilyl Radicals","Journal of the American Chemical Society","2009","131","","11698","11700","10.1021/ja905097b","","","0.71073","MoKα","","0.3028","0.1523","","","0.3579","0.4056","","","","","","0.937","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104913","12.182","0.002","21.657","0.004","24.212","0.005","90","","90","","90","","6388","2","240","1","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dimitry-75","","","- C52 H117 Li O4 Si6 -","- C52 H117 Li O4 Si6 -","- C208 H468 Li4 O16 Si24 -","4","1","","Gregory Molev; Boris Tumanskii; Dennis Sheberla; Mark Botoshansky; Dmitry Bravo-Zhivotovskii; Yitzhak Apeloig","Isolable Photoreactive Polysilyl Radicals","Journal of the American Chemical Society","2009","131","","11698","11700","10.1021/ja905097b","","","0.71073","MoKα","","0.2239","0.0725","","","0.1362","0.1785","","","","","","0.867","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104914","13.1","0.004","12.199","0.004","10.354","0.003","90","","93.802","0.004","90","","1651","0.9","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O6 S -","- C16 H18 N2 O6 S -","- C64 H72 N8 O24 S4 -","4","1","","Grant T. Rice; M. Christina White","Allylic C-H Amination for the Preparation of syn-1,3-Amino Alcohol Motifs","Journal of the American Chemical Society","2009","131","","11707","11711","10.1021/ja9054959","","","0.71073","MoKα","","0.0564","0.0355","","","0.091","0.0993","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104915","11.1197","0.0003","5.5098","0.0002","13.7464","0.0004","90","","103.168","0.002","90","","820.06","0.04","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O8 S -","- C14 H16 N2 O8 S -","- C28 H32 N4 O16 S2 -","2","1","","Grant T. Rice; M. Christina White","Allylic C-H Amination for the Preparation of syn-1,3-Amino Alcohol Motifs","Journal of the American Chemical Society","2009","131","","11707","11711","10.1021/ja9054959","","","0.71073","MoKα","","0.0483","0.0355","","","0.0708","0.075","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104916","10.4476","0.0007","10.4476","","10.4476","","90","","90","","90","","1140.38","0.08","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- K O7 Ta2 Y -","- K O7 Ta2 Y -","- K8 O56 Ta16 Y8 -","8","0.0416667","","May Nyman; Mark A. Rodriguez; Lauren E. Shea-Rohwer; James E. Martin; Paula P. Provencio","Highly Versatile Rare Earth Tantalate Pyrochlore Nanophosphors","Journal of the American Chemical Society","2009","131","","11652","11653","10.1021/ja903823w","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.05981","","2.61","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4104917","5.43088","","5.43088","","5.43088","","90","","90","","90","","160.181","","","","","","","","","","","","","1","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Si -","- Si -","- Si8 -","8","0.0416667","","May Nyman; Mark A. Rodriguez; Lauren E. Shea-Rohwer; James E. Martin; Paula P. Provencio","Highly Versatile Rare Earth Tantalate Pyrochlore Nanophosphors","Journal of the American Chemical Society","2009","131","","11652","11653","10.1021/ja903823w","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.05981","","2.61","","","","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104918","10.3847","0.0007","10.3847","","10.3847","","90","","90","","90","","1119.91","0.08","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- K Lu O7 Ta2 -","- K Lu O7 Ta2 -","- K8 Lu8 O56 Ta16 -","8","0.0416667","","May Nyman; Mark A. Rodriguez; Lauren E. Shea-Rohwer; James E. Martin; Paula P. Provencio","Highly Versatile Rare Earth Tantalate Pyrochlore Nanophosphors","Journal of the American Chemical Society","2009","131","","11652","11653","10.1021/ja903823w","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07058","","2.72","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4104919","10.53833","0.00011","10.53833","","10.53833","","90","","90","","90","","1170.35","0.012","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Gd0.5 K0.33 O3.42 Ta -","- Gd0.5 K0.3334 O3.41665 Ta -","- Gd8 K5.3344 O54.6664 Ta16 -","16","0.0833333","","May Nyman; Mark A. Rodriguez; Lauren E. Shea-Rohwer; James E. Martin; Paula P. Provencio","Highly Versatile Rare Earth Tantalate Pyrochlore Nanophosphors","Journal of the American Chemical Society","2009","131","","11652","11653","10.1021/ja903823w","powder diffraction","x-ray","1.54059","Kα~1~","","","","","","","","0.08787","","2.03","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4104920","3.2599","0.0007","3.2599","0.0007","30.116","0.009","90","","90","","120","","277.16","0.12","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C Al O Sc -","- C2 Al2 O2 Sc2 -","- C6 Al6 O6 Sc6 -","3","0.0833333","","Melanie Schroeder; Harald Hillebrecht","Synthesis, Structure, Bonding, and Properties of the Oxide Carbide ScAlOC, a New Type of Compound","Journal of the American Chemical Society","2009","131","","12172","12179","10.1021/ja900206h","","","0.71073","MoKα","","0.0312","0.0212","","","0.039","0.0397","","","","","","0.853","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104921","11.535","0.003","10.241","0.003","23.567","0.007","90","","101.126","0.0011","90","","2731.6","1.3","273","2","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 F6 Fe N O6 S2 -","- C28 H17 F6 Fe N O6 S2 -","- C112 H68 F24 Fe4 N4 O24 S8 -","4","1","","Mio Kondo; Maai Uchikawa; Kosuke Namiki; Wen-Wei Zhang; Shoko Kume; Eiji Nishibori; Hiroyuki Suwa; Shinobu Aoyagi; Makoto Sakata; Masaki Murata; Yoshio Kobayashi; Hiroshi Nishihara","Counterion-Dependent Valence Tautomerization of Ferrocenyl-Conjugated Pyrylium Salts","Journal of the American Chemical Society","2009","131","","12112","12124","10.1021/ja900393e","","","0.7107","MoKα","","","0.0609","","","","0.1498","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104922","20.936","0.004","11.511","0.002","8.5179","0.0015","90","","90","","90","","2052.8","0.6","113","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H17 B F4 Fe O2 -","- C26 H17 B F4 Fe O2 -","- C104 H68 B4 F16 Fe4 O8 -","4","1","","Mio Kondo; Maai Uchikawa; Kosuke Namiki; Wen-Wei Zhang; Shoko Kume; Eiji Nishibori; Hiroyuki Suwa; Shinobu Aoyagi; Makoto Sakata; Masaki Murata; Yoshio Kobayashi; Hiroshi Nishihara","Counterion-Dependent Valence Tautomerization of Ferrocenyl-Conjugated Pyrylium Salts","Journal of the American Chemical Society","2009","131","","12112","12124","10.1021/ja900393e","","","0.7107","MoKα","","","0.0463","","","","0.0924","","","","","","1.127","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104923","21.098","0.003","11.6557","0.0018","8.5243","0.0013","90","","90","","90","","2096.2","0.5","113","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H17 B F4 Fe O2 -","- C26 H17 B F4 Fe O2 -","- C104 H68 B4 F16 Fe4 O8 -","4","1","","Mio Kondo; Maai Uchikawa; Kosuke Namiki; Wen-Wei Zhang; Shoko Kume; Eiji Nishibori; Hiroyuki Suwa; Shinobu Aoyagi; Makoto Sakata; Masaki Murata; Yoshio Kobayashi; Hiroshi Nishihara","Counterion-Dependent Valence Tautomerization of Ferrocenyl-Conjugated Pyrylium Salts","Journal of the American Chemical Society","2009","131","","12112","12124","10.1021/ja900393e","","","0.7107","MoKα","","","0.0438","","","","0.1136","","","","","","1.096","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104924","21.3928","0.0011","11.7972","0.0008","8.7432","0.0005","90","","90","","90","","2206.6","0.2","113","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H17 F6 Fe O2 P -","- C26 H17 F6 Fe O2 P -","- C104 H68 F24 Fe4 O8 P4 -","4","1","","Mio Kondo; Maai Uchikawa; Kosuke Namiki; Wen-Wei Zhang; Shoko Kume; Eiji Nishibori; Hiroyuki Suwa; Shinobu Aoyagi; Makoto Sakata; Masaki Murata; Yoshio Kobayashi; Hiroshi Nishihara","Counterion-Dependent Valence Tautomerization of Ferrocenyl-Conjugated Pyrylium Salts","Journal of the American Chemical Society","2009","131","","12112","12124","10.1021/ja900393e","","","0.7107","MoKα","","","0.0387","","","","0.0854","","","","","","1.057","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104925","21.4729","0.0011","11.9441","0.0008","8.7948","0.0005","90","","90","","90","","2255.6","0.2","273","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H17 F6 Fe O2 P -","- C26 H17 F6 Fe O2 P -","- C104 H68 F24 Fe4 O8 P4 -","4","1","","Mio Kondo; Maai Uchikawa; Kosuke Namiki; Wen-Wei Zhang; Shoko Kume; Eiji Nishibori; Hiroyuki Suwa; Shinobu Aoyagi; Makoto Sakata; Masaki Murata; Yoshio Kobayashi; Hiroshi Nishihara","Counterion-Dependent Valence Tautomerization of Ferrocenyl-Conjugated Pyrylium Salts","Journal of the American Chemical Society","2009","131","","12112","12124","10.1021/ja900393e","","","0.7107","MoKα","","","0.0414","","","","0.0994","","","","","","1.053","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104926","10.2217","0.0007","14.3059","0.001","16.3729","0.0011","84.928","0.001","85.776","0.001","73.792","0.001","2287.1","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","(2-dicyclohexylphosphino)-2'-(N,N-dimethylamino)-1,1'-biphenyl)","","- C26 H36 N P -","- C26 H36 N P -","- C104 H144 N4 P4 -","4","2","","Ramendra Pratap; Damon Parrish; Padmaja Gunda; D. Venkataraman; Mahesh K. Lakshman","Influence of Biaryl Phosphine Structure on C-N and C-C Bond Formation","Journal of the American Chemical Society","2009","131","","12240","12249","10.1021/ja902679b","","","0.71073","MoKα","","0.0443","0.0377","","","0.095","0.0998","","","","","","1.035","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104927","10.278","0.002","10.311","0.002","12.886","0.003","74.533","0.003","78.947","0.004","62.497","0.003","1163.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(2-dicyclohexylphosphino-4'-(N,N-dimethylamino)-1,1'-biphenyl)","","- C26 H36 N P -","- C26 H36 N P -","- C52 H72 N2 P2 -","2","1","","Ramendra Pratap; Damon Parrish; Padmaja Gunda; D. Venkataraman; Mahesh K. Lakshman","Influence of Biaryl Phosphine Structure on C-N and C-C Bond Formation","Journal of the American Chemical Society","2009","131","","12240","12249","10.1021/ja902679b","","","0.71073","MoKα","","0.0496","0.0412","","","0.1095","0.1153","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104928","41.026","0.0007","13.029","0.0003","20.375","0.0005","90","","99.81","0.0007","90","","10731.8","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MKL01","","","- C52 H66 O4 P2 Pd2 -","- C52 H66 O4 P2 Pd2 -","- C416 H528 O32 P16 Pd16 -","8","1","","Ramendra Pratap; Damon Parrish; Padmaja Gunda; D. Venkataraman; Mahesh K. Lakshman","Influence of Biaryl Phosphine Structure on C-N and C-C Bond Formation","Journal of the American Chemical Society","2009","131","","12240","12249","10.1021/ja902679b","","","0.71073","MoKα","","0.0946","0.0443","","","0.1084","0.1495","","","","","","1.034","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104929","10.5058","0.0006","14.2215","0.0013","15.2801","0.0014","100.908","0.004","106.131","0.005","98.363","0.005","2105.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","PG06-34","","","- C22 H29 O2 P Pd -","- C22 H29 O2 P Pd -","- C88 H116 O8 P4 Pd4 -","4","2","","Ramendra Pratap; Damon Parrish; Padmaja Gunda; D. Venkataraman; Mahesh K. Lakshman","Influence of Biaryl Phosphine Structure on C-N and C-C Bond Formation","Journal of the American Chemical Society","2009","131","","12240","12249","10.1021/ja902679b","","","0.71073","MoKα","","0.0896","0.0695","","","0.1655","0.1808","","","","","","1.146","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104930","14.4432","0.0004","17.5999","0.0005","21.5142","0.0006","90","","106.756","0.001","90","","5236.7","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H38 N O2 P Pd -","- C28 H38 N O2 P Pd -","- C224 H304 N8 O16 P8 Pd8 -","8","1","","Ramendra Pratap; Damon Parrish; Padmaja Gunda; D. Venkataraman; Mahesh K. Lakshman","Influence of Biaryl Phosphine Structure on C-N and C-C Bond Formation","Journal of the American Chemical Society","2009","131","","12240","12249","10.1021/ja902679b","","","1.54178","CuKα","","0.0248","0.0238","","","0.0651","0.0659","","","","","","1.057","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104931","12.1477","0.0005","12.2155","0.0005","15.1806","0.0006","74.541","0.002","72.625","0.002","82.11","0.002","2068.01","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H45 B F10 P -","- C48 H45 B F10 P -","- C96 H90 B2 F20 P2 -","2","1","","Cornelia M. Mömming; Silke Frömel; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reactions of an Intramolecular Frustrated Lewis Pair with Unsaturated Substrates: Evidence for a Concerted Olefin Addition Reaction","Journal of the American Chemical Society","2009","131","","12280","12289","10.1021/ja903511s","","","1.54178","CuKα","","0.0521","0.0485","","","0.1296","0.1334","","","","","","1.043","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104932","17.2244","0.0004","12.5179","0.0004","21.0243","0.0007","90","","110.039","0.001","90","","4258.7","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H43 B F10 P -","- C46 H43 B F10 P -","- C184 H172 B4 F40 P4 -","4","1","","Cornelia M. Mömming; Silke Frömel; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reactions of an Intramolecular Frustrated Lewis Pair with Unsaturated Substrates: Evidence for a Concerted Olefin Addition Reaction","Journal of the American Chemical Society","2009","131","","12280","12289","10.1021/ja903511s","","","1.54178","CuKα","","0.0707","0.0563","","","0.1416","0.1541","","","","","","1.033","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104933","33.6177","0.001","12.866","0.0004","16.5773","0.0005","90","","111.635","0.002","90","","6665","0.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 B F10 O P -","- C36 H34 B F10 O P -","- C288 H272 B8 F80 O8 P8 -","8","1","","Cornelia M. Mömming; Silke Frömel; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reactions of an Intramolecular Frustrated Lewis Pair with Unsaturated Substrates: Evidence for a Concerted Olefin Addition Reaction","Journal of the American Chemical Society","2009","131","","12280","12289","10.1021/ja903511s","","","1.54178","CuKα","","0.0524","0.0484","","","0.1312","0.1349","","","","","","1.061","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104934","9.4496","0.0003","30.8893","0.0011","12.4289","0.0004","90","","98.642","0.002","90","","3586.7","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 B F10 O P -","- C41 H34 B F10 O P -","- C164 H136 B4 F40 O4 P4 -","4","1","","Cornelia M. Mömming; Silke Frömel; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reactions of an Intramolecular Frustrated Lewis Pair with Unsaturated Substrates: Evidence for a Concerted Olefin Addition Reaction","Journal of the American Chemical Society","2009","131","","12280","12289","10.1021/ja903511s","","","1.54178","CuKα","","0.0709","0.0504","","","0.1134","0.127","","","","","","1.041","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104935","15.5665","0.0004","23.5385","0.0005","33.1929","0.0009","90","","90","","90","","12162.3","0.5","100.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H91.249 O43.6245 -","- C45 H49 O43.6245 -","- C360 H392 O348.996 -","8","2","","Naoki Tomimasu; Akira Kanaya; Yoshinori Takashima; Hiroyasu Yamaguchi; Akira Harada","Social Self-Sorting: Alternating Supramolecular Oligomer Consisting of Isomers","Journal of the American Chemical Society","2009","131","","12339","12343","10.1021/ja903988c","","","1.54187","CuKα","","","0.0698","","","","0.2154","","","","","","1.134","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104936","9.3892","0.0006","10.1178","0.0007","22.411","0.0016","90","","94.508","0.001","90","","2122.4","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Au N3 P -","- C24 H19 Au N3 P -","- C96 H76 Au4 N12 P4 -","4","1","","Haifeng Duan; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Triazole-Au(I) Complexes: A New Class of Catalysts with Improved Thermal Stability and Reactivity for Intermolecular Alkyne Hydroamination","Journal of the American Chemical Society","2009","131","","12100","12102","10.1021/ja9041093","","","0.71073","MoKα","","0.0356","0.0315","","","0.0812","0.0849","","","","","","1.059","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104937","12.8722","0.0009","13.3804","0.0009","32.718","0.002","90","","90","","90","","5635.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H27 Au N3 P -","- C32 H27 Au N3 P -","- C256 H216 Au8 N24 P8 -","8","1","","Haifeng Duan; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Triazole-Au(I) Complexes: A New Class of Catalysts with Improved Thermal Stability and Reactivity for Intermolecular Alkyne Hydroamination","Journal of the American Chemical Society","2009","131","","12100","12102","10.1021/ja9041093","","","0.71073","MoKα","","0.0423","0.0301","","","0.0751","0.0841","","","","","","1.051","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104938","9.28","0.0006","13.2256","0.0008","14.1159","0.0009","110.107","0.001","104.804","0.001","100.656","0.001","1500.24","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H27 Au F3 N3 O3 P S -","- C25 H20 Au F3 N3 O3 P S -","- C50 H40 Au2 F6 N6 O6 P2 S2 -","2","1","","Haifeng Duan; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Triazole-Au(I) Complexes: A New Class of Catalysts with Improved Thermal Stability and Reactivity for Intermolecular Alkyne Hydroamination","Journal of the American Chemical Society","2009","131","","12100","12102","10.1021/ja9041093","","","0.71073","MoKα","","0.0418","0.0378","","","0.0998","0.1022","","","","","","1.024","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104939","10.256","0.0012","41.907","0.005","18.538","0.002","90","","97.396","0.003","90","","7901.3","1.6","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C81 H80 B F24 Ir N O4 P -","- C81 H80 B F24 Ir N O4 P -","- C324 H320 B4 F96 Ir4 N4 O16 P4 -","4","2","","Javier Mazuela; J. Johan Verendel; Mercedes Coll; Benjamín Schäffner; Armin Börner; Pher G. Andersson; Oscar Pàmies; Montserrat Diéguez","Iridium Phosphite-Oxazoline Catalysts for the Highly Enantioselective Hydrogenation of Terminal Alkenes","Journal of the American Chemical Society","2009","131","","12344","12353","10.1021/ja904152r","","","0.71073","MoKα","","0.0648","0.0525","","","0.1289","0.1342","","","","","","1.017","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4104940","13.5426","0.0013","7.7407","0.0007","14.5124","0.0014","90","","114.739","0.002","90","","1381.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Yagang Zhang; Judith M. Lavin; Ken D. Shimizu","Solvent Programmable Polymers Based on Restricted Rotation","Journal of the American Chemical Society","2009","131","","12062","12063","10.1021/ja904234w","","","0.71073","MoKα","","0.0461","0.0408","","","0.109","0.1128","","","","","","1.072","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104941","6.7979","0.0005","8.0996","0.0007","26.069","0.002","90","","96.837","0.004","90","","1425.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 Cl N O2 Rh -","- C3 H5 Cl N O2 Rh -","- C24 H40 Cl8 N8 O16 Rh8 -","8","2","","Kwonho Jang; Il Gu Jung; Hye Jin Nam; Duk-Young Jung; Seung Uk Son","One-Dimensional Organometallic Molecular Wires via Assembly of Rh(CO)2Cl(amine): Chemical Control of Interchain Distances and Optical Properties","Journal of the American Chemical Society","2009","131","","12046","12047","10.1021/ja904247e","","","0.71073","MoKα","","0.1147","0.0724","","","0.1635","0.1824","","","","","","1.065","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104942","7.966","0.002","8.544","0.002","31.115","0.008","90","","90","","90","","2117.7","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","09082a","","","- C20 H23 Br4 N -","- C20 H23 Br4 N -","- C80 H92 Br16 N4 -","4","1","","Barry M. Trost; David A. Thaisrivongs","Palladium-Catalyzed Regio-, Diastereo-, and Enantioselective Benzylic Allylation of 2-Substituted Pyridines","Journal of the American Chemical Society","2009","131","","12056","12057","10.1021/ja904441a","","","0.71073","MoKα","","0.0331","0.0265","","","0.0552","0.0573","","","","","","1.077","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104943","12.628","0.004","12.917","0.005","14.498","0.006","82.04","0.03","73.07","0.02","65.24","0.02","2054","1.4","93","","","","","","","","","","","6","P 1","P 1","1","","","","- C38 H56 Cl6 Mn N2 O2 -","- C38 H56 Cl6 Mn N2 O2 -","- C76 H112 Cl12 Mn2 N4 O4 -","2","2","","Takuya Kurahashi; Masahiko Hada; Hiroshi Fujii","Critical Role of External Axial Ligands in Chirality Amplification of trans-Cyclohexane-1,2-diamine in Salen Complexes","Journal of the American Chemical Society","2009","131","","12394","12405","10.1021/ja904635n","","","0.7107","MoKα","","","0.0842","","","","0.2474","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104944","8.5312","0.0004","13.4133","0.0007","19.9001","0.001","90","","90","","90","","2277.2","0.2","93.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Mn N8 O2 -","- C22 H24 Mn N8 O2 -","- C88 H96 Mn4 N32 O8 -","4","1","","Takuya Kurahashi; Masahiko Hada; Hiroshi Fujii","Critical Role of External Axial Ligands in Chirality Amplification of trans-Cyclohexane-1,2-diamine in Salen Complexes","Journal of the American Chemical Society","2009","131","","12394","12405","10.1021/ja904635n","","","0.7107","MoKα","","","0.0381","","","","0.0946","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104945","9.671","0.002","23.135","0.005","10.267","0.002","90","0.0014","95.5892","0.0015","90","0.0014","2286.2","0.8","93.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H62 F6 Mn N4 O4 -","- C44 H62 F6 Mn N4 O4 -","- C88 H124 F12 Mn2 N8 O8 -","2","1","","Takuya Kurahashi; Masahiko Hada; Hiroshi Fujii","Critical Role of External Axial Ligands in Chirality Amplification of trans-Cyclohexane-1,2-diamine in Salen Complexes","Journal of the American Chemical Society","2009","131","","12394","12405","10.1021/ja904635n","","","0.7107","MoKα","","","0.0499","","","","0.1418","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104946","11.3472","0.0003","21.915","0.0005","20.9629","0.0005","90","","101.536","0.001","90","","5107.6","0.2","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Y@C82Ad-A","Y@C82Ad-A","","- C94.5 H14 S5 Y -","- C94.58 H14 S5 Y -","- C378.32 H56 S20 Y4 -","4","1","","Xing Lu; Hidefumi Nikawa; Lai Feng; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase","Location of the Yttrium Atom in Y@C82 and Its Influence on the Reactivity of Cage Carbons","Journal of the American Chemical Society","2009","131","","12066","12067","10.1021/ja905001w","","x-ray","0.71075","MoKα","","0.0772","0.0647","","","0.1611","0.1732","","","","","","1.057","","","","has coordinates,has disorder","295947","2024-11-15","22:25:06",""
"4104947","10.914","0.002","7.502","0.002","11.151","0.003","90","","112.923","0.007","90","","840.9","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 4-O-acetyl-2-azido-3-O-benzyl-2-deoxy-1-lactone‒ D-mannopyranosyluronate","","- C16 H17 N3 O7 -","- C16 H17 N3 O7 -","- C32 H34 N6 O14 -","2","1","","Marthe T. C. Walvoort; Gerrit Lodder; Jaroslaw Mazurek; Herman S. Overkleeft; Jeroen D. C. Codée; Gijsbert A. van der Marel","Equatorial Anomeric Triflates from Mannuronic Acid Esters","Journal of the American Chemical Society","2009","131","","12080","12081","10.1021/ja905008p","","","0.71073","MoKα","","0.0561","0.043","","","0.0926","0.0999","","","","","","1.039","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104948","10.989","0.002","7.718","0.002","11.376","0.003","90","","115.766","0.007","90","","868.9","0.4","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 4-O-acetyl-2-azido-3-O-benzyl-2-deoxy‒ 1-lactone-D-mannopyranosyluronate","","- C16 H17 N3 O7 -","- C16 H17 N3 O7 -","- C32 H34 N6 O14 -","2","1","","Marthe T. C. Walvoort; Gerrit Lodder; Jaroslaw Mazurek; Herman S. Overkleeft; Jeroen D. C. Codée; Gijsbert A. van der Marel","Equatorial Anomeric Triflates from Mannuronic Acid Esters","Journal of the American Chemical Society","2009","131","","12080","12081","10.1021/ja905008p","","","0.71073","MoKα","","0.0419","0.0338","","","0.0861","0.0909","","","","","","1.042","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104949","10.5972","0.0011","13.1485","0.0013","16.0477","0.0016","90","","90","","90","","2236","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 Br O6 -","- C21 H33 Br O6 -","- C84 H132 Br4 O24 -","4","1","","Jessica Tanuwidjaja; Sze-Sze Ng; Timothy F. Jamison","Total Synthesis of ent-Dioxepandehydrothyrsiferol via a Bromonium-Initiated Epoxide-Opening Cascade","Journal of the American Chemical Society","2009","131","","12084","12085","10.1021/ja9052366","","","0.71073","MoKα","","0.039","0.0326","","","0.0817","0.0844","","","","","","1.043","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104950","14.4934","0.0006","14.5117","0.0005","17.8874","0.0006","90","","90","","90","","3762.1","0.2","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","SCOF-2rs.Et 100K","","","- C36 H32 Fe N6 O7 S2 -","- C36 H32 Fe N6 O7 S2 -","- C144 H128 Fe4 N24 O28 S8 -","4","0.5","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.1209","0.1088","","","0.2166","0.226","","","","","","1.103","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104951","14.6829","0.001","14.6829","0.001","17.92","0.003","90","","90","","90","","3863.3","0.7","200","2","200","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","SCOF-2(Acn)as","","","- C34 H32 Fe N8 O4 S2 -","- C34 H32 Fe N8 O4 S2 -","- C136 H128 Fe4 N32 O16 S8 -","4","0.25","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.1699","0.0779","","","0.204","0.3215","","","","","","1.092","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104952","14.639","0.005","14.639","0.005","17.851","0.012","90","","90","","90","","3825","3","200","2","200","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","SCOF-2(Et)as","","","- C36 H32 Fe N6 O7 S2 -","- C36 H32 Fe N6 O7 S2 -","- C144 H128 Fe4 N24 O28 S8 -","4","0.25","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.1918","0.088","","","0.2308","0.3644","","","","","","1.133","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104953","14.675","0.003","14.675","0.003","17.984","0.007","90","","90","","90","","3873","1.9","200","2","200","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","SCOF-2(Me)as","","","- C33 H32 Fe N6 O7 S2 -","- C33 H32 Fe N6 O7 S2 -","- C132 H128 Fe4 N24 O28 S8 -","4","0.25","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.1852","0.079","","","0.191","0.3054","","","","","","1.11","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104954","14.726","0.001","14.726","0.001","17.899","0.003","90","","90","","90","","3881.5","0.7","220","2","220","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","SCOF-2(Pr)as","","","- C33 H32 Fe N6 O5 S2 -","- C33 H32 Fe N6 O5 S2 -","- C132 H128 Fe4 N24 O20 S8 -","4","0.25","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.1516","0.0806","","","0.2323","0.3396","","","","","","1.138","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104955","14.3578","0.0006","14.3904","0.0005","17.8813","0.0007","90","","90","","90","","3694.5","0.2","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","SCOF-2rs.Me 100K","","","- C33 H32 Fe N6 O7 S2 -","- C33 H32 Fe N6 O7 S2 -","- C132 H128 Fe4 N24 O28 S8 -","4","0.5","","Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert","Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material","Journal of the American Chemical Society","2009","131","","12106","12108","10.1021/ja905360g","","","0.71073","MoKα","","0.104","0.0631","","","0.172","0.1988","","","","","","1.051","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104956","8.817","0.003","17.774","0.006","22.892","0.008","90","","90","","90","","3587","2","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 Cl N O11 -","- C38 H40 Cl N O11 -","- C152 H160 Cl4 N4 O44 -","4","1","","Kazuo Komano; Satoshi Shimamura; Yutaro Norizuki; Donglin Zhao; Chizuko Kabuto; Itaru Sato; Masahiro Hirama","Total Synthesis and Structure Revision of the (-)-Maduropeptin Chromophore","Journal of the American Chemical Society","2009","131","","12072","12073","10.1021/ja905397p","","","0.7107","MoKα","","","0.0564","","","","0.0762","","","","","","0.901","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104957","26.28791","0.00029","26.28791","","26.28791","","90","","90","","90","","18166.4","0.2","4","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H2 Cu O4 -","- C6 H2 Cu O4 -","- C288 H96 Cu48 O192 -","48","0.25","","Shengchang Xiang; Wei Zhou; Jose M. Gallegos; Yun Liu; Banglin Chen","Exceptionally High Acetylene Uptake in a Microporous Metal-Organic Framework with Open Metal Sites","Journal of the American Chemical Society","2009","131","","12415","12419","10.1021/ja904782h","powder diffraction","neutron","2.0782","","","","","","","","","0.06467","","0.91","","","","","","","has coordinates,has Fobs","178795","2020-10-21","18:00:00",""
"4104958","26.3256","0.00023","26.3256","","26.3256","","90","","90","","90","","18244.6","0.16","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C7.12 H2 Cu D1.12 O4 -","- C7.12184 H2 Cu D1.12184 O4 -","- C341.848 H96 Cu48 D53.8483 O192 -","48","0.25","","Shengchang Xiang; Wei Zhou; Jose M. Gallegos; Yun Liu; Banglin Chen","Exceptionally High Acetylene Uptake in a Microporous Metal-Organic Framework with Open Metal Sites","Journal of the American Chemical Society","2009","131","","12415","12419","10.1021/ja904782h","powder diffraction","neutron","2.0782","","","","","","","","","0.05933","","0.92","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4104959","26.33858","0.00031","26.33858","","26.33858","","90","","90","","90","","18271.6","0.2","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C8.31 H2 Cu D2.3 O4 -","- C8.305 H2 Cu D2.30464 O4 -","- C398.64 H96 Cu48 D110.623 O192 -","48","0.25","","Shengchang Xiang; Wei Zhou; Jose M. Gallegos; Yun Liu; Banglin Chen","Exceptionally High Acetylene Uptake in a Microporous Metal-Organic Framework with Open Metal Sites","Journal of the American Chemical Society","2009","131","","12415","12419","10.1021/ja904782h","powder diffraction","neutron","2.0782","","","","","","","","","0.09464","","1.18","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4104960","12.86","0.0009","14.4333","0.0006","19.2986","0.0013","90","","101.673","0.005","90","","3508","0.4","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C32 H21 Cl F12 I2 N Ni O P -","- C32 H21 Cl F12 I2 N Ni O P -","- C128 H84 Cl4 F48 I8 N4 Ni4 O4 P4 -","4","1","","Andreas Berkefeld; Matthias Drexler; Heiko M. Möller; Stefan Mecking","Mechanistic Insights on the Copolymerization of Polar Vinyl Monomers with Neutral Ni(II) Catalysts","Journal of the American Chemical Society","2009","131","","12613","12622","10.1021/ja901360b","","","0.71073","MoKα","","0.0692","0.0434","","","0.1213","0.141","","","","","","0.958","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104961","15.2527","0.0004","17.7608","0.0006","17.9335","0.0007","70.384","0.001","68.897","0.001","81.386","0.001","4267","0.2","153","2","153","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","CoC60C6H4tBu5COCO","","- C127 H77 Cl2.5 Co O2 -","- C127 H77 Cl2.5 Co O2 -","- C254 H154 Cl5 Co2 O4 -","2","1","","Yutaka Matsuo; Masashi Maruyama; S. Shankara Gayathri; Tomoya Uchida; Dirk M. Guldi; Hideo Kishida; Arao Nakamura; Eiichi Nakamura","π-Conjugated Multidonor/Acceptor Arrays of Fullerene-Cobaltadithiolene-Tetrathiafulvalene: From Synthesis and Structure to Electronic Interactions","Journal of the American Chemical Society","2009","131","","12643","12649","10.1021/ja902312q","","x-ray","0.71073","MoKα","","0.0869","0.0673","","","0.1971","0.2176","","","","","","1.093","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104962","40.931","0.003","18.8015","0.0014","23.723","0.0016","90","","108.671","0.002","90","","17296","2","153","2","153","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","Ar5C60CoS2C2S2C2S2C2S2CoC60Ar5_CS2_C6H6","","- C240 H142 Co2 S12 -","- C240 H142 Co2 S12 -","- C960 H568 Co8 S48 -","4","0.5","","Yutaka Matsuo; Masashi Maruyama; S. Shankara Gayathri; Tomoya Uchida; Dirk M. Guldi; Hideo Kishida; Arao Nakamura; Eiichi Nakamura","π-Conjugated Multidonor/Acceptor Arrays of Fullerene-Cobaltadithiolene-Tetrathiafulvalene: From Synthesis and Structure to Electronic Interactions","Journal of the American Chemical Society","2009","131","","12643","12649","10.1021/ja902312q","","x-ray","0.71075","MoKα","","0.2557","0.1699","","","0.4263","0.4839","","","","","","1.485","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104963","9.297","0.002","12.066","0.003","18.576","0.005","103.632","0.004","103.712","0.004","95.549","0.004","1941.5","0.8","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 Fe N2 -","- C48 H52 Fe N2 -","- C96 H104 Fe2 N4 -","2","1","","W. Alexander Merrill; Troy A. Stich; Marcin Brynda; Gregory J. Yeagle; James C. Fettinger; Raymond De Hont; William M. Reiff; Charles E. Schulz; R. David Britt; Philip P. Power","Direct Spectroscopic Observation of Large Quenching of First-Order Orbital Angular Momentum with Bending in Monomeric, Two-Coordinate Fe(II) Primary Amido Complexes and the Profound Magnetic Effects of the Absence of Jahn- and Renner-Teller Distortions in Rigorously Linear Coordination","Journal of the American Chemical Society","2009","131","","12693","12702","10.1021/ja903439t","","","0.71073","MoKα","","0.0845","0.0695","","","0.1805","0.1868","","","","","","1.099","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104964","12.9432","0.0009","17.715","0.0012","14.6698","0.001","90","","113.157","0.001","90","","3092.6","0.4","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H100 Fe N2 -","- C72 H100 Fe N2 -","- C144 H200 Fe2 N4 -","2","0.5","","W. Alexander Merrill; Troy A. Stich; Marcin Brynda; Gregory J. Yeagle; James C. Fettinger; Raymond De Hont; William M. Reiff; Charles E. Schulz; R. David Britt; Philip P. Power","Direct Spectroscopic Observation of Large Quenching of First-Order Orbital Angular Momentum with Bending in Monomeric, Two-Coordinate Fe(II) Primary Amido Complexes and the Profound Magnetic Effects of the Absence of Jahn- and Renner-Teller Distortions in Rigorously Linear Coordination","Journal of the American Chemical Society","2009","131","","12693","12702","10.1021/ja903439t","","","0.71073","MoKα","","0.0637","0.0442","","","0.1107","0.1234","","","","","","1.077","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104965","17.218","0.004","14.076","0.003","18.067","0.004","90","","92.848","0.004","90","","4373.3","1.7","151","2","151","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 N2 Rh -","- C29 H27 N2 Rh -","- C232 H216 N16 Rh8 -","8","1","","Jennifer L. McBee; Jose Escalada; T. Don Tilley","High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand","Journal of the American Chemical Society","2009","131","","12703","12713","10.1021/ja9035169","","","0.71073","MoKα","","0.1224","0.0614","","","0.1322","0.1682","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104966","17.3745","0.0015","14.1163","0.0012","17.9468","0.0016","90","","93.433","0.002","90","","4393.8","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 Ir N2 -","- C29 H27 Ir N2 -","- C232 H216 Ir8 N16 -","8","1","","Jennifer L. McBee; Jose Escalada; T. Don Tilley","High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand","Journal of the American Chemical Society","2009","131","","12703","12713","10.1021/ja9035169","","","0.71073","MoKα","","0.0454","0.0347","","","0.0899","0.0947","","","","","","1.033","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104967","11.817","0.001","15.419","0.002","25.088","0.003","90","","93.571","0.002","90","","4562.3","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H45 N2 Rh Si2 -","- C57 H45 N2 Rh Si2 -","- C228 H180 N8 Rh4 Si8 -","4","1","","Jennifer L. McBee; Jose Escalada; T. Don Tilley","High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand","Journal of the American Chemical Society","2009","131","","12703","12713","10.1021/ja9035169","","","0.7107","MoKα","","0.1003","0.0497","","","0.0966","0.1127","","","","","","0.958","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104968","15.0745","0.0007","13.881","0.0007","22.165","0.001","90","","95.978","0.001","90","","4612.8","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H53 N2 Rh Si2 -","- C53 H53 N2 Rh Si2 -","- C212 H212 N8 Rh4 Si8 -","4","1","","Jennifer L. McBee; Jose Escalada; T. Don Tilley","High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand","Journal of the American Chemical Society","2009","131","","12703","12713","10.1021/ja9035169","","","0.7107","MoKα","","0.054","0.0377","","","0.0937","0.105","","","","","","1.019","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104969","11.9089","0.0011","15.3952","0.0014","25.034","0.002","90","","93.419","0.001","90","","4581.6","0.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H47 Ir N2 Si2 -","- C57 H47 Ir N2 Si2 -","- C228 H188 Ir4 N8 Si8 -","4","1","","Jennifer L. McBee; Jose Escalada; T. Don Tilley","High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand","Journal of the American Chemical Society","2009","131","","12703","12713","10.1021/ja9035169","","","0.71073","MoKα","","0.0437","0.0318","","","0.081","0.101","","","","","","1.008","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104970","17.0919","0.0015","12.7726","0.0011","20.3881","0.0018","90","","107.434","0.001","90","","4246.4","0.6","157","2","157","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 N4 Rh2 Si -","- C50 H50 N4 Rh2 Si -","- C200 H200 N16 Rh8 Si4 -","4","0.5","","Jennifer L. McBee; Jose Escalada; T. Don Tilley","High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand","Journal of the American Chemical Society","2009","131","","12703","12713","10.1021/ja9035169","","","0.71073","MoKα","","0.0549","0.0391","","","0.0955","0.103","","","","","","1.024","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104971","11.7915","0.001","13.4246","0.0011","13.5335","0.0011","61.518","0.001","68.25","0.001","75.752","0.002","1742.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H70 N4 Rh2 Si2 -","- C88 H70 N4 Rh2 Si2 -","- C88 H70 N4 Rh2 Si2 -","1","0.5","","Jennifer L. McBee; Jose Escalada; T. Don Tilley","High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand","Journal of the American Chemical Society","2009","131","","12703","12713","10.1021/ja9035169","","","0.71073","MoKα","","0.0587","0.046","","","0.1182","0.1234","","","","","","1.038","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104972","35.521","0.006","12.568","0.002","25.217","0.004","90","","99.028","0.002","90","","11118","3","149","2","149","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61.8 H49.8 N2 P Rh Si -","- C61.8 H49.8 N2 P Rh Si -","- C494.4 H398.4 N16 P8 Rh8 Si8 -","8","1","","Jennifer L. McBee; Jose Escalada; T. Don Tilley","High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand","Journal of the American Chemical Society","2009","131","","12703","12713","10.1021/ja9035169","","","0.71073","MoKα","","0.0844","0.0778","","","0.2301","0.2413","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104973","4.9495","0.0004","11.5335","0.0008","12.6368","0.0009","105.023","0.003","100.037","0.003","92.006","0.004","683.61","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H34 O4 -","- C36 H34 O4 -","- C36 H34 O4 -","1","0.5","","Chih-Ming Chou; Shern-Long Lee; Chih-Hsien Chen; Akkattu Thankappan Biju; Hsian-Wen Wang; Yi-Lin Wu; Guo-Fu Zhang; Kuang-Wei Yang; Tsong-Shin Lim; Min-Jie Huang; Po-Yu Tsai; Kin-Chuan Lin; Shou-Ling Huang; Chun-hsien Chen; Tien-Yau Luh","Polymeric Ladderphanes","Journal of the American Chemical Society","2009","131","","12579","12585","10.1021/ja9035362","","","0.71073","MoKα","","0.1226","0.0752","","","0.1834","0.2216","","","","","","1.088","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104974","29.8146","0.0005","29.8146","0.0005","6.9588","0.0001","90","","90","","90","","6185.75","0.17","150","","150","","","","","","","","?","5","I 41/a :2","-I 4ad","88","","caesium copper(I) silver(I) cyanide Cs3Ag2Cu3(CN)8","","- C24 Ag6 Cs9 Cu9 N24 -","- C24 Ag6 Cs9 Cu9 N24 -","- C96 Ag24 Cs36 Cu36 N96 -","4","0.25","","Ann M. Chippindale; Simon J. Hibble","Helices, Chirality and Interpenetration: the Versatility and Remarkable Interconversion of Silver-Copper Cyanide Frameworks","Journal of the American Chemical Society","2009","131","","12736","12744","10.1021/ja903841e","","","0.71073","MoKα","","0.0474","0.0379","","0.0505","0.0466","0.0466","","","","","","0.9729","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104975","6.976","0.0001","10.8809","0.0002","15.4101","0.0003","80.1383","0.0008","85.2979","0.0008","86.04","0.001","1146.74","0.03","150","2","150","","","","","","","","?","7","P -1","-P 1","2","","caesium copper(I) silver(I) cyanide hydrate, CsAgCu(CN)3.1/3H2O","","- C9 H2 Ag3 Cs3 Cu3 N9 O -","- C9 H2 Ag3 Cs3 Cu3 N9 O -","- C18 H4 Ag6 Cs6 Cu6 N18 O2 -","2","1","","Ann M. Chippindale; Simon J. Hibble","Helices, Chirality and Interpenetration: the Versatility and Remarkable Interconversion of Silver-Copper Cyanide Frameworks","Journal of the American Chemical Society","2009","131","","12736","12744","10.1021/ja903841e","","","0.71073","MoKα","","0.0386","0.0336","","0.0452","0.0416","0.0416","","","","","","1.0285","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104976","7.2298","0.0003","7.2298","0.0003","24.6254","0.0008","90","","90","","120","","1114.72","0.07","150","2","150","2","","","","","","","?","5","P 61 2 2","P 61 2 (0 0 5)","178","","caesium copper(I) silver(I) cyanide, CsAgCu(CN)3","","- C9 Ag3 Cs3 Cu3 N9 -","- C9 Ag3 Cs3 Cu3 N9 -","- C18 Ag6 Cs6 Cu6 N18 -","2","0.166667","","Ann M. Chippindale; Simon J. Hibble","Helices, Chirality and Interpenetration: the Versatility and Remarkable Interconversion of Silver-Copper Cyanide Frameworks","Journal of the American Chemical Society","2009","131","","12736","12744","10.1021/ja903841e","","","0.71073","MoKα","","0.0259","0.0215","","0.0273","0.0248","0.0248","","","","","","1.0165","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104977","9.642","0.001","12.0145","0.0013","15.1903","0.0016","86.042","0.002","83.851","0.002","74.685","0.002","1685.9","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H41 Cl4 Co2 N6 O18 P -","- C19 H39 Cl4 Co2 N6 O18 P -","- C38 H78 Cl8 Co4 N12 O36 P2 -","2","1","","Guoqiang Feng; Eric A. Tanifum; Harry Adams; Alvan C. Hengge; Nicholas H. Williams","Mechanism and Transition State Structure of Aryl Methylphosphonate Esters Doubly Coordinated to a Dinuclear Cobalt(III) Center","Journal of the American Chemical Society","2009","131","","12771","12779","10.1021/ja904134n","","","0.71073","MoKα","","0.0726","0.0509","","","0.1406","0.1515","","","","","","1.101","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104978","10.3104","0.0008","18.2269","0.0016","19.6351","0.0017","69.55","0.003","76.632","0.003","73.969","0.002","3285.6","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H41 Cl3 Co2 N6 O17.5 P -","- C19 H40 Cl3 Co2 N6 O17.5 P -","- C76 H160 Cl12 Co8 N24 O70 P4 -","4","2","","Guoqiang Feng; Eric A. Tanifum; Harry Adams; Alvan C. Hengge; Nicholas H. Williams","Mechanism and Transition State Structure of Aryl Methylphosphonate Esters Doubly Coordinated to a Dinuclear Cobalt(III) Center","Journal of the American Chemical Society","2009","131","","12771","12779","10.1021/ja904134n","","","0.71073","MoKα","","0.1062","0.0503","","","0.117","0.137","","","","","","0.842","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104979","10.615","0.0011","14.5889","0.0015","29.856","0.003","90","","90.395","0.017","90","","4623.4","0.8","93.15","","93.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cd2 N6 O19 -","- C34 H24 Cd2 N6 O19 -","- C136 H96 Cd8 N24 O76 -","4","1","","Joobeom Seo; Ryotaro Matsuda; Hirotoshi Sakamoto; Charlotte Bonneau; Susumu Kitagawa","A Pillared-Layer Coordination Polymer with a Rotatable Pillar Acting as a Molecular Gate for Guest Molecules","Journal of the American Chemical Society","2009","131","","12792","12800","10.1021/ja904363b","","","0.710747","MoKα","","0.0735","0.0692","","","0.1829","0.1874","","","","","","1.056","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104980","10.236","0.002","14.827","0.003","25.877","0.005","90","","95.45","0.03","90","","3909.6","1.3","293","2","93.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cd2 N5 O18 -","- C34 H24 Cd2 N6 O17 -","- C136 H96 Cd8 N24 O68 -","4","1","","Joobeom Seo; Ryotaro Matsuda; Hirotoshi Sakamoto; Charlotte Bonneau; Susumu Kitagawa","A Pillared-Layer Coordination Polymer with a Rotatable Pillar Acting as a Molecular Gate for Guest Molecules","Journal of the American Chemical Society","2009","131","","12792","12800","10.1021/ja904363b","","","0.710747","MoKα","","0.0849","0.0663","","","0.1766","0.1954","","","","","","1.074","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104981","10.701","0.008","14.17","0.011","22.205","0.017","90","","98.117","0.013","90","","3333","4","293","2","378.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cd2 N6 O12 -","- C32 H24 Cd2 N6 O12 -","- C128 H96 Cd8 N24 O48 -","4","1","","Joobeom Seo; Ryotaro Matsuda; Hirotoshi Sakamoto; Charlotte Bonneau; Susumu Kitagawa","A Pillared-Layer Coordination Polymer with a Rotatable Pillar Acting as a Molecular Gate for Guest Molecules","Journal of the American Chemical Society","2009","131","","12792","12800","10.1021/ja904363b","","","0.710747","MoKα","","0.1288","0.1006","","","0.2613","0.2911","","","","","","1.099","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104982","10.261","0.002","14.825","0.003","25.931","0.005","90","","95.4","0.03","90","","3927.1","1.4","293","2","93.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Cd2 N6 O17 -","- C32 H25 Cd2 N6 O17 -","- C128 H100 Cd8 N24 O68 -","4","1","","Joobeom Seo; Ryotaro Matsuda; Hirotoshi Sakamoto; Charlotte Bonneau; Susumu Kitagawa","A Pillared-Layer Coordination Polymer with a Rotatable Pillar Acting as a Molecular Gate for Guest Molecules","Journal of the American Chemical Society","2009","131","","12792","12800","10.1021/ja904363b","","","0.710747","MoKα","","0.1597","0.1202","","","0.2961","0.34","","","","","","1.073","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104983","19.4191","0.0002","19.4191","0.0002","16.2612","0.0002","90","","90","","90","","6132.12","0.12","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","3","P 41 21 2","P 4abw 2nw","92","","","","- C14 H26 O4 -","- C14 H26 O4 -","- C224 H416 O64 -","16","2","","Timothy J. Donohoe; Robert M. Harris; Oliver Williams; Gráinne C. Hargaden; Jeremy Burrows; Jeremy Parker","Concise Syntheses of the Natural Products (+)-Sylvaticin and (+)-cis-Sylvaticin","Journal of the American Chemical Society","2009","131","","12854","12861","10.1021/ja9049959","","","0.71073","MoKα","","0.0551","0.0365","","0.0605","0.0468","0.0468","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104984","24.1131","0.0008","15.1598","0.0006","20.9379","0.0007","90","","111.258","0.002","90","","7133.1","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C78 H102 Mo2 N4 -","- C78 H102 Mo2 N4 -","- C312 H408 Mo8 N16 -","4","0.5","","Yi-Chou Tsai; Hong-Zhang Chen; Chie-Chieh Chang; Jen-Shiang K. Yu; Gene-Hsiang Lee; Yu Wang; Ting-Shen Kuo","Journey from Mo-Mo Quadruple Bonds to Quintuple Bonds","Journal of the American Chemical Society","2009","131","","12534","12535","10.1021/ja905035f","","","0.71073","MoKα","","0.0971","0.0639","","","0.1712","0.195","","","","","","1.014","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104985","22.5252","0.0003","10.3225","0.0001","27.1465","0.0004","90","","111.849","0.0005","90","","5858.62","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H78 Mo2 N4 -","- C62 H78 Mo2 N4 -","- C248 H312 Mo8 N16 -","4","1","","Yi-Chou Tsai; Hong-Zhang Chen; Chie-Chieh Chang; Jen-Shiang K. Yu; Gene-Hsiang Lee; Yu Wang; Ting-Shen Kuo","Journey from Mo-Mo Quadruple Bonds to Quintuple Bonds","Journal of the American Chemical Society","2009","131","","12534","12535","10.1021/ja905035f","","","0.71073","MoKα","","0.0483","0.0321","","","0.0868","0.0969","","","","","","1.081","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104986","16.7531","0.0002","16.9193","0.0002","23.5981","0.0003","90","","100.869","0.0006","90","","6568.91","0.14","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H104 Cl3 Li Mo2 N4 O2 -","- C64 H104 Cl3 Li Mo2 N4 O2 -","- C256 H416 Cl12 Li4 Mo8 N16 O8 -","4","1","","Yi-Chou Tsai; Hong-Zhang Chen; Chie-Chieh Chang; Jen-Shiang K. Yu; Gene-Hsiang Lee; Yu Wang; Ting-Shen Kuo","Journey from Mo-Mo Quadruple Bonds to Quintuple Bonds","Journal of the American Chemical Society","2009","131","","12534","12535","10.1021/ja905035f","","","0.71073","MoKα","","0.083","0.0546","","","0.1501","0.1656","","","","","","1.091","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104987","13.0147","0.0015","14.9375","0.0017","19.169","0.002","70.483","0.003","83.999","0.003","88.553","0.002","3493","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H98 Cl3 Li Mo2 N4 O2 -","- C70 H98 Cl3 Li Mo2 N4 O2 -","- C140 H196 Cl6 Li2 Mo4 N8 O4 -","2","1","","Yi-Chou Tsai; Hong-Zhang Chen; Chie-Chieh Chang; Jen-Shiang K. Yu; Gene-Hsiang Lee; Yu Wang; Ting-Shen Kuo","Journey from Mo-Mo Quadruple Bonds to Quintuple Bonds","Journal of the American Chemical Society","2009","131","","12534","12535","10.1021/ja905035f","","","0.71073","MoKα","","0.1244","0.0633","","","0.134","0.1573","","","","","","1.077","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104988","19.4691","0.0005","19.7241","0.0005","23.412","0.0009","110.754","0.002","93.66","0.002","116.557","0.001","7249.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H133 B8 N68 O37 Pd6 -","- C96 H133 B8 N68 O37 Pd6 -","- C192 H266 B16 N136 O74 Pd12 -","2","1","","Zheng Lu; Carolyn B. Knobler; Hiroyasu Furukawa; Bo Wang; Guannan Liu; Omar M. Yaghi","Synthesis and Structure of Chemically Stable Metal-Organic Polyhedra","Journal of the American Chemical Society","2009","131","","12532","12533","10.1021/ja905101s","","","1.54178","CuKα","","0.1135","0.0872","","","0.2326","0.2558","","","","","","1.067","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104989","19.4691","0.0005","19.7241","0.0005","23.412","0.0009","110.754","0.002","93.66","0.002","116.557","0.001","7249.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H96 B8 N64 Pd6 -","- C96 H96 B8 N64 Pd6 -","- C192 H192 B16 N128 Pd12 -","2","1","","Zheng Lu; Carolyn B. Knobler; Hiroyasu Furukawa; Bo Wang; Guannan Liu; Omar M. Yaghi","Synthesis and Structure of Chemically Stable Metal-Organic Polyhedra","Journal of the American Chemical Society","2009","131","","12532","12533","10.1021/ja905101s","","","1.54178","CuKα","","0.0837","0.0654","","","0.1845","0.2026","","","","","","1.148","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104990","16.9134","0.0003","16.9134","0.0003","34.344","0.001","90","","90","","90","","9824.6","0.4","100","2","100","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C128 H179 B8 N68 O26 Pd6 -","- C128 H183.04 B8 N68 O26.04 Pd6 -","- C256 H366.08 B16 N136 O52.08 Pd12 -","2","0.125","","Zheng Lu; Carolyn B. Knobler; Hiroyasu Furukawa; Bo Wang; Guannan Liu; Omar M. Yaghi","Synthesis and Structure of Chemically Stable Metal-Organic Polyhedra","Journal of the American Chemical Society","2009","131","","12532","12533","10.1021/ja905101s","","","1.54178","CuKα","","0.0879","0.0824","","","0.1945","0.1986","","","","","","1.106","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104991","16.9134","0.0003","16.9134","0.0003","34.344","0.001","90","","90","","90","","9824.6","0.4","100","2","100","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C128 H160 B8 N64 Pd6 -","- C128 H160 B8 N64 Pd6 -","- C256 H320 B16 N128 Pd12 -","2","0.125","","Zheng Lu; Carolyn B. Knobler; Hiroyasu Furukawa; Bo Wang; Guannan Liu; Omar M. Yaghi","Synthesis and Structure of Chemically Stable Metal-Organic Polyhedra","Journal of the American Chemical Society","2009","131","","12532","12533","10.1021/ja905101s","","","1.54178","CuKα","","0.0655","0.0618","","","0.1558","0.1587","","","","","","1.069","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104992","9.858","0.002","12.9873","0.0014","13.198","0.003","90","","102.346","0.004","90","","1650.6","0.5","80.1","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O -","- C22.98 H19 N0.97 O -","- C91.92 H76 N3.88 O4 -","4","1","","Yi-Feng Wang; Shunsuke Chiba","Mn(III)-Mediated Reactions of Cyclopropanols with Vinyl Azides: Synthesis of Pyridine and 2-Azabicyclo[3.3.1]non-2-en-1-ol Derivatives","Journal of the American Chemical Society","2009","131","","12570","12572","10.1021/ja905110c","","x-ray","0.71075","MoKα","","","0.0658","","","","0.1059","","","","","","8.582","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104993","6.8395","","9.1094","0.0001","10.5243","0.0001","68.143","0.006","70.861","0.006","77.939","0.008","572.1","0.03","80.1","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N O -","- C10.63 H15.63 N0.77 O0.74 -","- C21.26 H31.26 N1.54 O1.48 -","2","1","","Yi-Feng Wang; Shunsuke Chiba","Mn(III)-Mediated Reactions of Cyclopropanols with Vinyl Azides: Synthesis of Pyridine and 2-Azabicyclo[3.3.1]non-2-en-1-ol Derivatives","Journal of the American Chemical Society","2009","131","","12570","12572","10.1021/ja905110c","","x-ray","0.71075","MoKα","","","0.0956","","","","0.0961","","","","","","10.024","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104994","10.4412","0.0009","7.8614","0.0007","15.9788","0.0013","90","","93.057","0.004","90","","1309.71","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Yi-Feng Wang; Shunsuke Chiba","Mn(III)-Mediated Reactions of Cyclopropanols with Vinyl Azides: Synthesis of Pyridine and 2-Azabicyclo[3.3.1]non-2-en-1-ol Derivatives","Journal of the American Chemical Society","2009","131","","12570","12572","10.1021/ja905110c","","","0.71073","MoKα","","0.0768","0.0443","","","0.1131","0.1358","","","","","","1.002","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104995","10.0059","0.0004","8.9092","0.0004","17.2816","0.0008","90","","94.226","0.002","90","","1536.37","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Yi-Feng Wang; Shunsuke Chiba","Mn(III)-Mediated Reactions of Cyclopropanols with Vinyl Azides: Synthesis of Pyridine and 2-Azabicyclo[3.3.1]non-2-en-1-ol Derivatives","Journal of the American Chemical Society","2009","131","","12570","12572","10.1021/ja905110c","","","0.71073","MoKα","","0.0537","0.0337","","","0.0753","0.0842","","","","","","1.038","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104996","20.9491","0.0008","11.4791","0.0004","12.8044","0.0005","90","","124.361","0.002","90","","2541.84","0.18","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 N O -","- C15 H19 N O -","- C120 H152 N8 O8 -","8","1","","Yi-Feng Wang; Shunsuke Chiba","Mn(III)-Mediated Reactions of Cyclopropanols with Vinyl Azides: Synthesis of Pyridine and 2-Azabicyclo[3.3.1]non-2-en-1-ol Derivatives","Journal of the American Chemical Society","2009","131","","12570","12572","10.1021/ja905110c","","","0.71073","MoKα","","0.0828","0.047","","","0.1086","0.1263","","","","","","1.038","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104997","5.9335","0.0003","9.0893","0.0004","10.6193","0.0005","85.05","0.002","81.807","0.002","79.992","0.002","557.13","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H19 N -","- C14 H19 N -","- C28 H38 N2 -","2","1","","Yi-Feng Wang; Shunsuke Chiba","Mn(III)-Mediated Reactions of Cyclopropanols with Vinyl Azides: Synthesis of Pyridine and 2-Azabicyclo[3.3.1]non-2-en-1-ol Derivatives","Journal of the American Chemical Society","2009","131","","12570","12572","10.1021/ja905110c","","","0.71073","MoKα","","0.053","0.0419","","","0.1214","0.1467","","","","","","1.156","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104998","7.1471","0.0005","12.6152","0.0008","9.9519","0.0007","90","","91.73","0.003","90","","896.88","0.11","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H26 Cu N2 O14 Se2 -","- C6 H26 Cu N2 O14 Se2 -","- C12 H52 Cu2 N4 O28 Se4 -","2","1","","Wen Zhang; Li-Zhuang Chen; Ren-Gen Xiong; Takayoshi Nakamura; Songping D. Huang","New Ferroelectrics Based on Divalent Metal Ion Alum","Journal of the American Chemical Society","2009","131","","12544","12545","10.1021/ja905399x","","","0.71075","MoKα","","0.0289","0.0281","","","0.0642","0.0648","","","","","","1.063","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104999","7.1294","0.0014","12.629","0.003","12.142","0.004","90","","124.84","0.02","90","","897.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H26 Cu N2 O14 Se2 -","- C6 H26 Cu N2 O14 Se2 -","- C12 H52 Cu2 N4 O28 Se4 -","2","0.5","","Wen Zhang; Li-Zhuang Chen; Ren-Gen Xiong; Takayoshi Nakamura; Songping D. Huang","New Ferroelectrics Based on Divalent Metal Ion Alum","Journal of the American Chemical Society","2009","131","","12544","12545","10.1021/ja905399x","","","0.71073","MoKα","","0.0437","0.0345","","","0.0753","0.0786","","","","","","1.106","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4105000","7.1403","0.0005","12.6022","0.0009","9.9441","0.0006","90","","91.936","0.002","90","","894.29","0.1","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H12 Cu D14 N2 O14 Se2 -","- C6 H12 Cu D14 N2 O14 Se2 -","- C12 H24 Cu2 D28 N4 O28 Se4 -","2","1","","Wen Zhang; Li-Zhuang Chen; Ren-Gen Xiong; Takayoshi Nakamura; Songping D. Huang","New Ferroelectrics Based on Divalent Metal Ion Alum","Journal of the American Chemical Society","2009","131","","12544","12545","10.1021/ja905399x","","","0.71075","MoKα","","0.0276","0.0266","","","0.0697","0.0703","","","","","","1.047","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105001","7.124","0.006","12.634","0.009","12.164","0.007","90","","125.16","0.04","90","","895.1","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cu D14 N2 O14 Se2 -","- C6 H12 Cu D14 N2 O14 Se2 -","- C12 H24 Cu2 D28 N4 O28 Se4 -","2","0.5","","Wen Zhang; Li-Zhuang Chen; Ren-Gen Xiong; Takayoshi Nakamura; Songping D. Huang","New Ferroelectrics Based on Divalent Metal Ion Alum","Journal of the American Chemical Society","2009","131","","12544","12545","10.1021/ja905399x","","","0.71073","MoKα","","0.1065","0.0934","","","0.2147","0.2199","","","","","","1.185","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105002","10.541","0.0007","10.6705","0.0007","10.8608","0.0007","88.484","0.001","84.284","0.001","75.633","0.001","1177.51","0.13","85","2","85","2","","","","","","","","3","P 1","P 1","1","","","","- C28 H30 O4 -","- C28 H30 O4 -","- C56 H60 O8 -","2","2","","Natalie C. Giampietro; Jeff W. Kampf; John P. Wolfe","Asymmetric Tandem Wittig Rearrangement/Aldol Reactions","Journal of the American Chemical Society","2009","131","","12556","12557","10.1021/ja905930s","","","0.71073","MoKα","","0.0317","0.0305","","","0.078","0.079","","","","","","1.068","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105003","9.9225","0.0003","16.8851","0.0006","17.1254","0.0006","90","","90","","90","","2869.23","0.17","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 B N2 O6 -","- C37 H34 B N O2 -","- C148 H136 B4 N4 O8 -","4","1","","Shagufta H. Shabbir; Leo A. Joyce; Gabriella M. da Cruz; Vincent M. Lynch; Steven Sorey; Eric V. Anslyn","Pattern-Based Recognition for the Rapid Determination of Identity, Concentration, and Enantiomeric Excess of Subtly Different Threo Diols","Journal of the American Chemical Society","2009","131","","13125","13131","10.1021/ja904545d","","","0.7107","MoKα","","0.0787","0.0493","","","0.0732","0.0776","","","","","","1.399","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105004","11.1922","0.0006","7.8529","0.0004","19.6551","0.001","90","","103.138","0.003","90","","1682.29","0.15","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 Cl2 I N -","- C13 H24 Cl2 I N -","- C52 H96 Cl8 I4 N4 -","4","1","","Timothy J. Clark; Nicholas J. Robertson; Henry A. Kostalik IV; Emil B. Lobkovsky; Paul F. Mutolo; Héctor D. Abruña; Geoffrey W. Coates","A Ring-Opening Metathesis Polymerization Route to Alkaline Anion Exchange Membranes: Development of Hydroxide-Conducting Thin Films from an Ammonium-Functionalized Monomer","Journal of the American Chemical Society","2009","131","","12888","12889","10.1021/ja905242r","","","0.71073","MoKα","","0.0429","0.0322","","","0.0822","0.0893","","","","","","0.999","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105005","38.3466","0.0019","10.7833","0.0005","8.6147","0.0004","90","","100.953","0.001","90","","3497.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 N2 O4 S2 -","- C40 H50 N2 O4 S2 -","- C160 H200 N8 O16 S8 -","4","0.5","","Isaac Alonso; Beatriz Trillo; Fernando López; Sergi Montserrat; Gregori Ujaque; Luis Castedo; Agustí Lledós; Jose L. Mascareñas","Gold-Catalyzed [4C+2C] Cycloadditions of Allenedienes, including an Enantioselective Version with New Phosphoramidite-Based Catalysts: Mechanistic Aspects of the Divergence between [4C+3C] and [4C+2C] Pathways","Journal of the American Chemical Society","2009","131","","13020","13030","10.1021/ja905415r","","","0.71073","MoKα","","0.0469","0.0377","","","0.0957","0.1017","","","","","","0.827","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105006","10.1791","0.0002","21.9773","0.0005","8.8795","0.0002","90","","112.76","0.001","90","","1831.75","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O2 S -","- C21 H27 N O2 S -","- C84 H108 N4 O8 S4 -","4","1","","Isaac Alonso; Beatriz Trillo; Fernando López; Sergi Montserrat; Gregori Ujaque; Luis Castedo; Agustí Lledós; Jose L. Mascareñas","Gold-Catalyzed [4C+2C] Cycloadditions of Allenedienes, including an Enantioselective Version with New Phosphoramidite-Based Catalysts: Mechanistic Aspects of the Divergence between [4C+3C] and [4C+2C] Pathways","Journal of the American Chemical Society","2009","131","","13020","13030","10.1021/ja905415r","","x-ray","0.7107","MoKα","","0.0489","0.0386","","","0.0937","0.0992","","","","","","1.031","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105007","13.2005","0.0006","16.7409","0.0009","5.9633","0.0003","90","","90","","90","","1317.82","0.11","100","2","100","2","","","","","","","synthesis as described","3","P n a 21","P 2c -2n","33","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Isaac Alonso; Beatriz Trillo; Fernando López; Sergi Montserrat; Gregori Ujaque; Luis Castedo; Agustí Lledós; Jose L. Mascareñas","Gold-Catalyzed [4C+2C] Cycloadditions of Allenedienes, including an Enantioselective Version with New Phosphoramidite-Based Catalysts: Mechanistic Aspects of the Divergence between [4C+3C] and [4C+2C] Pathways","Journal of the American Chemical Society","2009","131","","13020","13030","10.1021/ja905415r","","x-ray","0.71073","MoKα","","0.051","0.0432","","","0.1107","0.115","","","","","","1.07","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105008","8.2327","0.0003","10.0262","0.0003","20.8923","0.0006","90","","90","","90","","1724.51","0.1","446","2","120","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C72 H96 O20 -","4","1","","Isaac Alonso; Beatriz Trillo; Fernando López; Sergi Montserrat; Gregori Ujaque; Luis Castedo; Agustí Lledós; Jose L. Mascareñas","Gold-Catalyzed [4C+2C] Cycloadditions of Allenedienes, including an Enantioselective Version with New Phosphoramidite-Based Catalysts: Mechanistic Aspects of the Divergence between [4C+3C] and [4C+2C] Pathways","Journal of the American Chemical Society","2009","131","","13020","13030","10.1021/ja905415r","","x-ray","0.7107","MoKα","","0.0532","0.0468","","","0.1161","0.1196","","","","","","1.024","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105009","11.5779","0.0006","12.8146","0.0008","21.809","0.0014","90","","90","","90","","3235.7","0.3","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 S -","- C18 H23 N O2 S -","- C144 H184 N8 O16 S8 -","8","2","","Isaac Alonso; Beatriz Trillo; Fernando López; Sergi Montserrat; Gregori Ujaque; Luis Castedo; Agustí Lledós; Jose L. Mascareñas","Gold-Catalyzed [4C+2C] Cycloadditions of Allenedienes, including an Enantioselective Version with New Phosphoramidite-Based Catalysts: Mechanistic Aspects of the Divergence between [4C+3C] and [4C+2C] Pathways","Journal of the American Chemical Society","2009","131","","13020","13030","10.1021/ja905415r","","x-ray","0.71073","MoKα","","0.0653","0.0444","","","0.0934","0.1028","","","","","","1.031","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105010","14.8299","0.0013","10.5763","0.0008","24.935","0.002","90","","100.616","0.002","90","","3844","0.5","173.1","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C41 H104 Fe8 N8 S9 Si8 -","- C41 H104 Fe8 N8 S9 Si8 -","- C82 H208 Fe16 N16 S18 Si16 -","2","0.5","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0478","","","","0.1179","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105011","26.522","0.009","28.749","0.01","26.062","0.009","90","","90","","90","","19872","12","143.1","","","","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C66 H150 Fe8 N6 O3 S9 Si8 -","- C66 H131 Fe8 N6 O3 S9 Si8 -","- C528 H1048 Fe64 N48 O24 S72 Si64 -","8","","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0577","","","","0.1594","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105012","36.712","0.013","19.659","0.006","16.907","0.006","90","","112.008","0.006","90","","11313","7","143.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76 H170 Fe8 N6 O4 S9 Si8 -","- C76 H136 Fe8 N6 O4 S9 Si8 -","- C304 H544 Fe32 N24 O16 S36 Si32 -","4","0.5","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0987","","","","0.2315","","","","","","0.952","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105013","26.503","0.012","29.012","0.014","26.224","0.012","90","","90","","90","","20164","16","173.1","","","","","","","","","","","8","A b a 2","A 2 -2ab","41","","","","- C62 H140 Cl2 Fe8 N6 O2.5 S9 Si8 -","- C62 H98 Cl2 Fe8 N6 O2.5 S9 Si8 -","- C496 H784 Cl16 Fe64 N48 O20 S72 Si64 -","8","","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0595","","","","0.1338","","","","","","1.274","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105014","26.201","0.002","28.989","0.002","26.46","0.002","90","","90","","90","","20097","3","173.1","","","","","","","","","","","8","A b a 2","A 2 -2ab","41","","","","- C64 H144 Br2 Fe8 N6 O3 S9 Si8 -","- C64 H80 Br2 Fe8 N6 O3 S9 Si8 -","- C512 H640 Br16 Fe64 N48 O24 S72 Si64 -","8","","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0649","","","","0.162","","","","","","2.217","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105015","17.948","0.005","21.637","0.005","27.944","0.007","90","","90","","90","","10852","5","143.1","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C70 H162 Fe8 N6 O3 S9 Si10 -","- C70 H122 Fe8 N6 O3 S9 Si10 -","- C280 H488 Fe32 N24 O12 S36 Si40 -","4","0.5","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0749","","","","0.2267","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105016","14.1787","0.0014","21.225","0.002","24.581","0.002","90","","90","","90","","7397.5","1.2","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H92 Fe10 N4 S9 Si8 -","- C46 H92 Fe10 N4 S9 Si8 -","- C184 H368 Fe40 N16 S36 Si32 -","4","1","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0321","","","","0.0728","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105017","19.453","0.01","21.971","0.007","20.098","0.008","90","","93.707","0.015","90","","8572","6","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H116 Fe8 N6 S11 Si8 -","- C52 H116 Fe8 N6 S11 Si8 -","- C208 H464 Fe32 N24 S44 Si32 -","4","1","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0494","","","","0.1573","","","","","","0.92","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105018","19.752","0.003","26.317","0.004","21.924","0.003","90","","115.575","0.0019","90","","10280","3","143.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H131 Fe8 N5 S11 Si10 -","- C61 H90 Fe8 N5 S11 Si10 -","- C244 H360 Fe32 N20 S44 Si40 -","4","1","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0962","","","","0.2282","","","","","","0.807","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105019","24.966","0.003","23.633","0.002","26.912","0.003","90","","98.348","0.0016","90","","15710","3","173.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C100 H147 Fe10 N2 S11 Si16 -","- C100 H147 Fe10 N2 S11 Si16 -","- C400 H588 Fe40 N8 S44 Si64 -","4","1","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.1175","","","","0.2945","","","","","","1.715","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105020","24.951","0.003","37.46","0.005","10.6579","0.0015","90","","90","","90","","9962","2","173.1","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C72 H60 Fe4 P2 S8 -","- C72 H60 Fe4 P2 S8 -","- C432 H360 Fe24 P12 S48 -","6","1.5","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0343","","","","0.0607","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105021","8.6381","0.0003","15.3135","0.0005","18.1475","0.0006","90","","98.067","0.002","90","","2376.79","0.14","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 F6 N2 O2 P Ru S -","- C20 H31 F6 N2 O2 P Ru S -","- C80 H124 F24 N8 O8 P4 Ru4 S4 -","4","1","","Thamayanthy Sriskandakumar; Holm Petzold; Pieter C. A. Bruijnincx; Abraha Habtemariam; Peter J. Sadler; Pierre Kennepohl","Influence of Oxygenation on the Reactivity of Ruthenium-Thiolato Bonds in Arene Anticancer Complexes: Insights from XAS and DFT","Journal of the American Chemical Society","2009","131","","13355","13361","10.1021/ja903405z","","","0.71073","MoKα","","0.0495","0.0382","","0.0976","0.092","0.0976","","","","","","0.9501","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105022","9.9232","0.0005","10.3821","0.0005","18.0076","0.0008","95.565","0.001","96.44","0.001","110.951","0.001","1702.73","0.14","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H50 B F4 Ir N3 P -","- C33 H50 B F4 Ir N3 P -","- C66 H100 B2 F8 Ir2 N6 P2 -","2","1","","Kevin D. Atkinson; Michael J. Cowley; Paul I. P. Elliott; Simon B. Duckett; Gary G. R. Green; Joaquín López-Serrano; Adrian C. Whitwood","Spontaneous Transfer of Parahydrogen Derived Spin Order to Pyridine at Low Magnetic Field","Journal of the American Chemical Society","2009","131","","13362","13368","10.1021/ja903601p","","","0.71073","MoKα","","0.0237","0.0211","","","0.0478","0.0488","","","","","","1.011","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105023","8.289","0.0003","21.1559","0.0007","10.7607","0.0004","90","","100.36","0.002","90","","1856.25","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C84 H120 O16 -","4","1","","Catherine Hulot; Shadi Amiri; Gaëlle Blond; Peter R. Schreiner; Jean Suffert","Understanding the Torquoselectivity in 8π-Electrocyclic Cascade Reactions: Synthesis of Fenestradienes versus Cyclooctatrienes","Journal of the American Chemical Society","2009","131","","13387","13398","10.1021/ja903914r","","","0.71073","MoKα","","0.0687","0.0444","","","0.0995","0.1097","","","","","","1.023","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105024","8.1351","0.0002","21.0319","0.001","10.6795","0.0005","90","","98.594","0.002","90","","1806.71","0.13","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Catherine Hulot; Shadi Amiri; Gaëlle Blond; Peter R. Schreiner; Jean Suffert","Understanding the Torquoselectivity in 8π-Electrocyclic Cascade Reactions: Synthesis of Fenestradienes versus Cyclooctatrienes","Journal of the American Chemical Society","2009","131","","13387","13398","10.1021/ja903914r","","","0.71073","MoKα","","0.0959","0.0523","","","0.1314","0.1645","","","","","","1.015","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105025","8.7956","0.0014","20.014","0.003","23.863","0.004","90","","90","","90","","4200.7","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sublimed clarithromycin","","","- C38 H69 N O13 -","- C38 H69 N O13 -","- C152 H276 N4 O52 -","4","1","","Jian Tian; Praveen K. Thallapally; Scott J. Dalgarno; Jerry L. Atwood","Free Transport of Water and CO2 in Nonporous Hydrophobic Clarithromycin Form II Crystals","Journal of the American Chemical Society","2009","131","","13216","13217","10.1021/ja904658p","","","0.71073","MoKα","","0.1031","0.0616","","","0.11","0.1226","","","","","","1.043","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105026","8.7891","0.0011","20.012","0.003","23.857","0.003","90","","90","","90","","4196.1","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Clarithromycin hemihydrate","","","- C38 H69 N O13.5 -","- C38 H69 N O13.5 -","- C152 H276 N4 O54 -","4","1","","Jian Tian; Praveen K. Thallapally; Scott J. Dalgarno; Jerry L. Atwood","Free Transport of Water and CO2 in Nonporous Hydrophobic Clarithromycin Form II Crystals","Journal of the American Chemical Society","2009","131","","13216","13217","10.1021/ja904658p","","","0.71073","MoKα","","0.0968","0.0505","","","0.093","0.1071","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105027","11.8029","0.0001","16.4042","0.0001","20.8175","0.0002","90","","96.7501","0.0003","90","","4002.69","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 Ir N2 P -","- C44 H58 Ir N2 P -","- C176 H232 Ir4 N8 P4 -","4","1","","Halil Aktas; Jos Mulder; Frans J. J. de Kanter; J. Chris Slootweg; Marius Schakel; Andreas W. Ehlers; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Iridium Phosphinidene Complexes: A Comparison with Iridium Imido Complexes in Their Reaction with Isocyanides","Journal of the American Chemical Society","2009","131","","13531","13537","10.1021/ja9048509","","","0.71073","MoKα","","0.0334","0.0222","","","0.0426","0.0455","","","","","","1.043","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105028","14.3239","0.0004","16.0921","0.0004","21.5079","0.0007","90","","122.067","0.001","90","","4201.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 Ir N2 P -","- C46 H62 Ir N2 P -","- C184 H248 Ir4 N8 P4 -","4","1","","Halil Aktas; Jos Mulder; Frans J. J. de Kanter; J. Chris Slootweg; Marius Schakel; Andreas W. Ehlers; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Iridium Phosphinidene Complexes: A Comparison with Iridium Imido Complexes in Their Reaction with Isocyanides","Journal of the American Chemical Society","2009","131","","13531","13537","10.1021/ja9048509","","","0.71073","MoKα","","0.0313","0.0187","","","0.0358","0.0391","","","","","","1.043","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105029","11.8147","0.0002","14.3753","0.0004","20.8906","0.0004","90","","113.837","0.002","90","","3245.4","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 Ir N2 P -","- C37 H44 Ir N2 P -","- C148 H176 Ir4 N8 P4 -","4","1","","Halil Aktas; Jos Mulder; Frans J. J. de Kanter; J. Chris Slootweg; Marius Schakel; Andreas W. Ehlers; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Iridium Phosphinidene Complexes: A Comparison with Iridium Imido Complexes in Their Reaction with Isocyanides","Journal of the American Chemical Society","2009","131","","13531","13537","10.1021/ja9048509","","","0.71073","MoKα","","0.0277","0.0193","","","0.0389","0.0412","","","","","","1.053","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105030","8.0818","0.0007","17.0067","0.0014","21.3708","0.0018","90","","98.717","0.002","90","","2903.4","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","jonme05, 2-Cl","Tp'Rh(CNR)(C6F5)Cl","","- C27 H33 B Cl F5 N7 Rh -","- C27 H33 B Cl F5 N7 Rh -","- C108 H132 B4 Cl4 F20 N28 Rh4 -","4","1","","Meagan E. Evans; Catherine L. Burke; Sornanong Yaibuathes; Eric Clot; Odile Eisenstein; William D. Jones","Energetics of C-H Bond Activation of Fluorinated Aromatic Hydrocarbons Using a [Tp'Rh(CNneopentyl)] Complex","Journal of the American Chemical Society","2009","131","","13464","13473","10.1021/ja905057w","","","0.71073","MoKα","","0.1127","0.0601","","","0.1388","0.1649","","","","","","1.06","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105031","6.7107","0.0017","9.115","0.002","8.674","0.002","90","0.008","96.851","0.003","90","0.006","526.8","0.2","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- As F9 O Xe3 -","- As F9 O Xe3 -","- As2 F18 O2 Xe6 -","2","1","","Michael Gerken; Matthew D. Moran; Hélène P. A. Mercier; Bernard E. Pointner; Gary J. Schrobilgen; Berthold Hoge; Karl O. Christe; Jerry A. Boatz","On the XeF+/H2O System: Synthesis and Characterization of the Xenon(II) Oxide Fluoride Cation, FXeOXeFXeF+","Journal of the American Chemical Society","2009","131","","13474","13489","10.1021/ja905060v","","","0.71073","MoKα","","0.0501","0.046","","","0.1272","0.1311","","","","","","1.03","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105032","6.6872","0.001","9.3056","0.0017","8.8219","0.0016","90","","96.784","0.005","90","","545.13","0.16","148","2","148","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- F9 O Sb Xe3 -","- F9 O Sb Xe3 -","- F18 O2 Sb2 Xe6 -","2","0.5","","Michael Gerken; Matthew D. Moran; Hélène P. A. Mercier; Bernard E. Pointner; Gary J. Schrobilgen; Berthold Hoge; Karl O. Christe; Jerry A. Boatz","On the XeF+/H2O System: Synthesis and Characterization of the Xenon(II) Oxide Fluoride Cation, FXeOXeFXeF+","Journal of the American Chemical Society","2009","131","","13474","13489","10.1021/ja905060v","","","0.71073","MoKα","","0.0639","0.0419","","","0.0836","0.0896","","","","","","1.129","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105033","8.715","0.004","8.715","0.004","12.989","0.009","90","","90","","90","","986.5","0.9","100","2","100","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- As F10 H3 O Xe2 -","- As F10 O Xe2 -","- As4 F40 O4 Xe8 -","4","0.125","","Michael Gerken; Matthew D. Moran; Hélène P. A. Mercier; Bernard E. Pointner; Gary J. Schrobilgen; Berthold Hoge; Karl O. Christe; Jerry A. Boatz","On the XeF+/H2O System: Synthesis and Characterization of the Xenon(II) Oxide Fluoride Cation, FXeOXeFXeF+","Journal of the American Chemical Society","2009","131","","13474","13489","10.1021/ja905060v","","","0.71073","MoKα","","0.0673","0.021","","","0.0523","0.0587","","","","","","0.885","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105034","12.3099","0.0019","13.943","0.002","16.083","0.003","89.444","0.004","88.652","0.005","89.4746","0.001","2759.4","0.8","120","","120","","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-bis(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)- 2-phenyl-phosphasilene","","- C62 H95 P Si -","- C62 H95 P Si -","- C124 H190 P2 Si2 -","2","1","","Baolin Li; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","π-Conjugated Phosphasilenes Stabilized by Fused-Ring Bulky Groups","Journal of the American Chemical Society","2009","131","","13222","13223","10.1021/ja9051153","","","0.71073","MoKα","","0.068","0.0521","","","0.1249","0.1363","","","","","","1.112","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105035","11.762","0.004","16.793","0.006","17.517","0.006","114.21","0.007","90.569","0.004","94.77","0.003","3141","1.9","100","","100","","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-bis(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)-2- (2-naphtyl)phosphasilene toluene solvate","","- C73 H105 P Si -","- C73 H105 P Si -","- C146 H210 P2 Si2 -","2","1","","Baolin Li; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","π-Conjugated Phosphasilenes Stabilized by Fused-Ring Bulky Groups","Journal of the American Chemical Society","2009","131","","13222","13223","10.1021/ja9051153","","","0.71073","MoKα","","0.1354","0.0784","","","0.1888","0.2391","","","","","","1.037","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105036","13.7835","0.0003","14.4694","0.0004","16.12","0.0005","92.9717","0.0015","94.968","0.0011","101.214","0.0011","3133.96","0.15","90","","90","","","","","","","","","5","P -1","-P 1","2","","(E)-1,2-bis(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)- 2-(2- anthryl)phosphasilene tetrahydrofuran solvate","","- C74 H107 O P Si -","- C74 H107 O P Si -","- C148 H214 O2 P2 Si2 -","2","1","","Baolin Li; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","π-Conjugated Phosphasilenes Stabilized by Fused-Ring Bulky Groups","Journal of the American Chemical Society","2009","131","","13222","13223","10.1021/ja9051153","","","0.71073","MoKα","","0.0918","0.0671","","","0.1868","0.2117","","","","","","1.046","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105037","11.7071","0.0002","15.0538","0.0003","16.0803","0.0003","86.597","0.001","84.328","0.001","68.35","0.001","2620.31","0.09","140","","140","","","","","","","","","4","P -1","-P 1","2","","1,4-bis{(E)-1,2-bis(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)- phosphasileneyl}benzene","","- C118 H184 P2 Si2 -","- C118.128 H184.256 P2 Si2 -","- C118.128 H184.256 P2 Si2 -","1","0.5","","Baolin Li; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","π-Conjugated Phosphasilenes Stabilized by Fused-Ring Bulky Groups","Journal of the American Chemical Society","2009","131","","13222","13223","10.1021/ja9051153","","","1.54184","CuKα","","0.0822","0.0556","","","0.1292","0.1518","","","","","","1.107","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105038","5.5391","0.0008","10.8776","0.0015","29.488","0.004","90","","90","","90","","1776.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br N2 O3 -","- C21 H19 Br N2 O3 -","- C84 H76 Br4 N8 O12 -","4","1","","Sandip Murarka; Indubhusan Deb; Chen Zhang; Daniel Seidel","Catalytic Enantioselective Intramolecular Redox Reactions: Ring-Fused Tetrahydroquinolines","Journal of the American Chemical Society","2009","131","","13226","13227","10.1021/ja905213f","","","0.71073","MoKα","","0.0436","0.0365","","","0.08","0.0825","","","","","","1.005","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105039","8.1447","0.0001","10.1427","0.0002","21.4366","0.0003","90","","90","","90","","1770.86","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Sandip Murarka; Indubhusan Deb; Chen Zhang; Daniel Seidel","Catalytic Enantioselective Intramolecular Redox Reactions: Ring-Fused Tetrahydroquinolines","Journal of the American Chemical Society","2009","131","","13226","13227","10.1021/ja905213f","","","1.54178","CuKα","","0.0359","0.0346","","","0.0803","0.0812","","","","","","1.006","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105040","3.58191","0.00023","3.58191","","3.58191","","90","","90","","90","","45.956","0.003","180","","","","","","","","","","Part of sample environment","1","F m -3 m","-F 4 2 3","225","copper","","","- Cu -","- Cu -","- Cu4 -","4","0.0208333","","Fortes, A. Dominic; Suard, Emmanuelle; Lemée-Cailleau, Marie-Hélène; Pickard, Christopher J.; Needs, Richard J.","Crystal Structure of Ammonia Monohydrate Phase II","Journal of the American Chemical Society","2009","131","37","13508","13515","10.1021/ja9052569","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","181961","2020-10-21","18:00:00",""
"4105041","18.8285","0.0004","6.94145","0.00016","6.84492","0.00016","90","","90","","90","","894.61","0.03","180","","","","","","","","","","Aldrich Chemical Co. ND3 + D2O","3","P b c a","-P 2ac 2ab","61","ammonia monohydrate","","","- D5 N O -","- D5 N O -","- D80 N16 O16 -","16","2","","Fortes, A. Dominic; Suard, Emmanuelle; Lemée-Cailleau, Marie-Hélène; Pickard, Christopher J.; Needs, Richard J.","Crystal Structure of Ammonia Monohydrate Phase II","Journal of the American Chemical Society","2009","131","37","13508","13515","10.1021/ja9052569","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","181961","2020-10-21","18:00:00",""
"4105042","10.2466","0.0007","12.5796","0.001","17.5498","0.0015","73.99","0.003","77.861","0.003","82.878","0.003","2120.5","0.3","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H53 Cl2 Cu F6 N4 P Ru -","- C43 H51 Cl2 Cu F6 N4 P Ru -","- C86 H102 Cl4 Cu2 F12 N8 P2 Ru2 -","2","1","","Luciano Cuesta; Elizabeth Karnas; Vincent M. Lynch; Ping Chen; Jing Shen; Karl M. Kadish; Kei Ohkubo; Shunichi Fukuzumi; Jonathan L. Sessler","Metalloporphycenes: Synthesis and Characterization of (Pentamethylcyclopentadienyl)ruthenium Sitting-Atop and π-Complexes","Journal of the American Chemical Society","2009","131","","13538","13547","10.1021/ja905284d","","","0.71069","MoKα","","0.1099","0.0565","","","0.0987","0.1178","","","","","","1.029","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105043","10.214","0.0002","12.587","0.0003","17.542","0.0004","73.766","0.001","78.165","0.001","82.81","0.001","2113.78","0.08","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H53 Cl2 F6 N4 Ni P Ru -","- C43 H53 Cl2 F6 N4 Ni P Ru -","- C86 H106 Cl4 F12 N8 Ni2 P2 Ru2 -","2","1","","Luciano Cuesta; Elizabeth Karnas; Vincent M. Lynch; Ping Chen; Jing Shen; Karl M. Kadish; Kei Ohkubo; Shunichi Fukuzumi; Jonathan L. Sessler","Metalloporphycenes: Synthesis and Characterization of (Pentamethylcyclopentadienyl)ruthenium Sitting-Atop and π-Complexes","Journal of the American Chemical Society","2009","131","","13538","13547","10.1021/ja905284d","","","0.7107","MoKα","","0.0929","0.0545","","","0.0988","0.1103","","","","","","1.087","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105044","21.737","0.002","25.642","0.002","13.8213","0.0012","90","","90.525","0.005","90","","7703.4","1.1","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H51 F6 N4 P Ru -","- C42 H51 F6 N4 P Ru -","- C336 H408 F48 N32 P8 Ru8 -","8","2","","Luciano Cuesta; Elizabeth Karnas; Vincent M. Lynch; Ping Chen; Jing Shen; Karl M. Kadish; Kei Ohkubo; Shunichi Fukuzumi; Jonathan L. Sessler","Metalloporphycenes: Synthesis and Characterization of (Pentamethylcyclopentadienyl)ruthenium Sitting-Atop and π-Complexes","Journal of the American Chemical Society","2009","131","","13538","13547","10.1021/ja905284d","","","0.7107","MoKα","","0.2232","0.102","","","0.1658","0.2088","","","","","","1.232","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105045","12.3036","0.0006","29.362","0.002","11.8233","0.0007","90","","93.983","0.002","90","","4260.9","0.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H59 F6 N4 P Ru -","- C46 H59 F6 N4 P Ru -","- C184 H236 F24 N16 P4 Ru4 -","4","1","","Luciano Cuesta; Elizabeth Karnas; Vincent M. Lynch; Ping Chen; Jing Shen; Karl M. Kadish; Kei Ohkubo; Shunichi Fukuzumi; Jonathan L. Sessler","Metalloporphycenes: Synthesis and Characterization of (Pentamethylcyclopentadienyl)ruthenium Sitting-Atop and π-Complexes","Journal of the American Chemical Society","2009","131","","13538","13547","10.1021/ja905284d","","","0.7107","MoKα","","0.1102","0.0619","","","0.1085","0.1267","","","","","","1.121","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105046","9.3808","0.0014","9.3808","0.0014","15.8006","0.0014","90","","90","","120","","1204.2","0.3","100","2","100","2","","","","","","","","6","P 63","P 6c","173","{NH(prol)3}[MnCr(ox)3](H2O)2","{NH(prol)3}[MnCr(ox)3](H2O)2","","- C15 H26 Cr Mn N O17 -","- C15 Cr Mn N O16.99 -","- C30 Cr2 Mn2 N2 O33.98 -","2","0.333333","","Hisashi Ōkawa; Akihito Shigematsu; Masaaki Sadakiyo; Takuya Miyagawa; Ko Yoneda; Masaaki Ohba; Hiroshi Kitagawa","Oxalate-Bridged Bimetallic Complexes {NH(prol)3}[MCr(ox)3] (M = MnII, FeII, CoII; NH(prol)3+= Tri(3-hydroxypropyl)ammonium) Exhibiting Coexistent Ferromagnetism and Proton Conduction","Journal of the American Chemical Society","2009","131","","13516","13522","10.1021/ja905368d","","","0.71069","MoKα","","0.0841","0.0805","","","0.219","0.2283","","","","","","1.215","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105047","19.615","0.002","16.4013","0.0016","17.4466","0.0018","90","","99.925","0.002","90","","5528.8","1","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H51 N O5 -","- C24 H51 N O5 -","- C192 H408 N8 O40 -","8","2","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2009","131","","13548","13554","10.1021/ja905806h","","","0.71073","MoKα","","0.1256","0.0649","","","0.1627","0.1958","","","","","","1.034","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105048","13.095","0.001","13.9148","0.001","16.7377","0.0012","90","","96.29","0.001","90","","3031.5","0.4","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C28 H57 N O4 -","- C28 H57 N O4 -","- C112 H228 N4 O16 -","4","2","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2009","131","","13548","13554","10.1021/ja905806h","","","0.71073","MoKα","","0.082","0.0678","","","0.1718","0.1852","","","","","","1.027","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105049","13.0862","0.0011","15.4546","0.0013","15.2946","0.0013","90","","96.136","0.001","90","","3075.5","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H57 O4 P -","- C28 H57 O4 P -","- C112 H228 O16 P4 -","4","1","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2009","131","","13548","13554","10.1021/ja905806h","","","0.71073","MoKα","","0.1566","0.1038","","","0.2888","0.339","","","","","","1.051","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105050","6.3954","0.0007","31.99","0.003","16.2225","0.0017","90","","97.99","0.004","90","","3286.7","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H56 Mg O15 -","- C24 H56 Mg O15 -","- C96 H224 Mg4 O60 -","4","1","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2009","131","","13548","13554","10.1021/ja905806h","","","1.54178","CuKα","","0.0447","0.0437","","","0.1064","0.1074","","","","","","1.057","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105051","6.4772","0.0006","14.4843","0.0013","17.5838","0.0015","90","","92.39","0.002","90","","1648.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Ca O14 -","- C24 H54 Ca O14 -","- C48 H108 Ca2 O28 -","2","0.5","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2009","131","","13548","13554","10.1021/ja905806h","","","0.71073","MoKα","","0.0496","0.0429","","","0.0949","0.0979","","","","","","1.038","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105052","12.6808","0.0007","16.7088","0.0008","15.3231","0.0007","90","","103.387","0.003","90","","3158.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 Cs2 O11 -","- C24 H48 Cs2 O11 -","- C96 H192 Cs8 O44 -","4","1","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2009","131","","13548","13554","10.1021/ja905806h","","","1.54184","CuKα","","0.0516","0.0433","","","0.1059","0.1108","","","","","","1.051","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105053","35.5649","0.0015","7.5143","0.0003","10.3977","0.0004","90","","106.706","0.003","90","","2661.45","0.19","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 O4 -","- C12 H22 O4 -","- C96 H176 O32 -","8","1","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2009","131","","13548","13554","10.1021/ja905806h","","","1.54178","CuKα","","0.0771","0.0705","","","0.1699","0.1729","","","","","","1.092","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105054","10.083","0.001","7.536","0.001","24.344","0.003","90","","91.43","0.002","90","","1849.2","0.4","146.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Br N O3 -","- C20 H24 Br N O3 -","- C80 H96 Br4 N4 O12 -","4","1","","Kimberly K. Larson; Richmond Sarpong","Total Synthesis of Alkaloid (\±)-G. B. 13 Using a Rh(I)-Catalyzed Ketone Hydroarylation and Late-Stage Pyridine Reduction","Journal of the American Chemical Society","2009","131","","13244","13245","10.1021/ja9063487","","","0.7107","MoKα","","0.0537","0.0308","","0.0414","","0.0366","","","","","","1.404","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105055","9.382","0.004","10.224","0.004","13.076","0.005","93.713","0.006","93.174","0.006","90.627","0.006","1249.6","0.9","156","2","293","2","","","","","","","","5","P 1","P 1","1","KLVII-033B","","","- C27 H29 Br N2 O6 -","- C27 H29 Br N2 O6 -","- C54 H58 Br2 N4 O12 -","2","2","","Kimberly K. Larson; Richmond Sarpong","Total Synthesis of Alkaloid (\±)-G. B. 13 Using a Rh(I)-Catalyzed Ketone Hydroarylation and Late-Stage Pyridine Reduction","Journal of the American Chemical Society","2009","131","","13244","13245","10.1021/ja9063487","","","0.71073","MoKα","","0.0495","0.0366","","","0.0884","0.0946","","","","","","1.055","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105056","9.6866","0.0005","10.8284","0.0005","35.0668","0.0018","90","","93.727","0.001","90","","3670.4","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C8H14[OSSO]H2","C8H14[OSSO]H2","","- C38 H60 O2 S2 -","- C38 H60 O2 S2 -","- C152 H240 O8 S8 -","4","1","","Akihiko Ishii; Tomoyuki Toda; Norio Nakata; Tsukasa Matsuo","Zirconium Complex of an [OSSO]-Type Diphenolate Ligand Bearing trans-1,2-Cyclooctanediylbis(thio) Core: Synthesis, Structure, and Isospecific 1-Hexene Polymerization","Journal of the American Chemical Society","2009","131","","13566","13567","10.1021/ja903369q","","","0.71073","MoKα","","0.0946","0.0605","","","0.1299","0.1475","","","","","","1.031","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105057","43.41","0.002","10.5617","0.0005","22.0673","0.0011","90","","109.356","0.001","90","","9545.6","0.8","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C8H14[OSSO]Zr(CH2Ph)2","C8H14[OSSO]Zr(CH2Ph)2","","- C52 H72 O2 S2 Zr -","- C52 H72 O2 S2 Zr -","- C416 H576 O16 S16 Zr8 -","8","1","","Akihiko Ishii; Tomoyuki Toda; Norio Nakata; Tsukasa Matsuo","Zirconium Complex of an [OSSO]-Type Diphenolate Ligand Bearing trans-1,2-Cyclooctanediylbis(thio) Core: Synthesis, Structure, and Isospecific 1-Hexene Polymerization","Journal of the American Chemical Society","2009","131","","13566","13567","10.1021/ja903369q","","","0.71073","MoKα","","0.0607","0.0447","","","0.1025","0.111","","","","","","1.018","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105058","9.7254","0.0009","11.3862","0.0011","22.736","0.002","92.369","0.002","96.916","0.002","97.929","0.002","2471.2","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H47 B2 Cl P2 -","- C20 H47 B2 Cl P2 -","- C80 H188 B8 Cl4 P8 -","4","2","","Gad Fuks; Nathalie Saffon; Laurent Maron; Guy Bertrand; Didier Bourissou","Ionic-Type Reactivity of 1,3-Dibora-2,4-diphosphoniocyclobutane-1,3-diyls: Regio- and Stereoselective Addition of Hydracids","Journal of the American Chemical Society","2009","131","","13681","13689","10.1021/ja903746p","","","0.71073","MoKα","","0.1035","0.0589","","","0.1283","0.1462","","","","","","1.008","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4105059","13.1771","0.001","14.2465","0.0011","14.621","0.0011","67.428","0.001","88.668","0.001","87.489","0.001","2532","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H86 B4 Cl2 P4 -","- C44 H86 B4 Cl2 P4 -","- C88 H172 B8 Cl4 P8 -","2","1","","Gad Fuks; Nathalie Saffon; Laurent Maron; Guy Bertrand; Didier Bourissou","Ionic-Type Reactivity of 1,3-Dibora-2,4-diphosphoniocyclobutane-1,3-diyls: Regio- and Stereoselective Addition of Hydracids","Journal of the American Chemical Society","2009","131","","13681","13689","10.1021/ja903746p","","","0.71073","MoKα","","0.0552","0.037","","","0.0864","0.0963","","","","","","1.01","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4105060","32.3223","0.001","11.0928","0.0004","19.4956","0.0006","90","","114.759","0.002","90","","6347.5","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H49 B2 F3 O3 P2 S -","- C25.5 H49 B2 F3 O3 P2 S -","- C204 H392 B16 F24 O24 P16 S8 -","8","1","","Gad Fuks; Nathalie Saffon; Laurent Maron; Guy Bertrand; Didier Bourissou","Ionic-Type Reactivity of 1,3-Dibora-2,4-diphosphoniocyclobutane-1,3-diyls: Regio- and Stereoselective Addition of Hydracids","Journal of the American Chemical Society","2009","131","","13681","13689","10.1021/ja903746p","","","0.71073","MoKα","","0.1118","0.0483","","","0.106","0.1314","","","","","","0.943","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4105061","11.5692","0.0007","16.1596","0.001","15.8662","0.001","90","","108.836","0.001","90","","2807.4","0.3","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21 H47 B2 F3 O3 P2 S -","- C21 H47 B2 F3 O3 P2 S -","- C84 H188 B8 F12 O12 P8 S4 -","4","1","","Gad Fuks; Nathalie Saffon; Laurent Maron; Guy Bertrand; Didier Bourissou","Ionic-Type Reactivity of 1,3-Dibora-2,4-diphosphoniocyclobutane-1,3-diyls: Regio- and Stereoselective Addition of Hydracids","Journal of the American Chemical Society","2009","131","","13681","13689","10.1021/ja903746p","","","0.71073","MoKα","","0.0344","0.0313","","","0.0777","0.0798","","","","","","1.039","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4105062","3.7268","0.0004","11.8446","0.0011","19.9373","0.0017","90","","93.941","0.004","90","","878","0.15","293","2","293","2","","","","","","","synthesised by authors, see text","5","P 1 21/c 1","-P 2ybc","14","","catena-{(μ3-cyanobenzoate-1κN:2κO:3κO) silver(I)} hydrate","","- C8 H6 Ag N O3 -","- C8 H4 Ag N O3 -","- C32 H16 Ag4 N4 O12 -","4","1","","Ming-Sheng Wang; Sheng-Ping Guo; Yan Li; Li-Zhen Cai; Jian-Ping Zou; Gang Xu; Wei-Wei Zhou; Fa-Kun Zheng; Guo-Cong Guo","A Direct White-Light-Emitting Metal-Organic Framework with Tunable Yellow-to-White Photoluminescence by Variation of Excitation Light","Journal of the American Chemical Society","2009","131","","13572","13573","10.1021/ja903947b","","","0.71073","MoKα","","0.0525","0.0441","","","0.1146","0.1222","","","","","","1.135","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105063","8.241","0.002","8.241","","22.545","0.006","90","","90","","120","","1326","0.5","273","2","273","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","Dimethylammoniumironformate","","","- C15 H27 Fe3 N2.97 O18 -","- C15 H27 Fe3 N2.97 O18 -","- C30 H54 Fe6 N5.94 O36 -","2","0.0555556","","Prashant Jain; Vasanth Ramachandran; Ronald J. Clark; Hai Dong Zhou; Brian H. Toby; Naresh S. Dalal; Harold W. Kroto; Anthony K. Cheetham","Multiferroic Behavior Associated with an Order-Disorder Hydrogen Bonding Transition in Metal-Organic Frameworks (MOFs) with the Perovskite ABX3 Architecture","Journal of the American Chemical Society","2009","131","","13625","13627","10.1021/ja904156s","","","0.71073","MoKα","","0.0561","0.0403","","","0.0883","0.093","","","","","","1.074","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105064","11.8137","0.0008","15.5303","0.0011","16.3912","0.0015","90","","90","","90","","3007.3","0.4","190","0.3","190","0.3","","","","","","","","6","P 1","P 1","1","","","","- C51 H36 N2 O8 Si Zn2 -","- C51 H36 N2 O8 Si Zn2 -","- C51 H36 N2 O8 Si Zn2 -","1","1","","Tendai Gadzikwa; Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp; SonBinh T. Nguyen","Selective Bifunctional Modification of a Non-catenated Metal-Organic Framework Material via ""Click"" Chemistry","Journal of the American Chemical Society","2009","131","","13613","13615","10.1021/ja904189d","","","0.71073","MoKα","","0.0894","0.0696","","","0.166","0.1767","","","","","","0.935","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105065","16.4174","0.001","12.8384","0.0008","17.5249","0.0011","90","","90.174","0.001","90","","3693.8","0.4","153","2","153","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C34 H54 Ga Si3 U -","- C34 H54 Ga Si3 U -","- C136 H216 Ga4 Si12 U4 -","4","2","","Stefan G. Minasian; Jamin L. Krinsky; Jeffrey D. Rinehart; Roy Copping; Tolek Tyliszczak; Markus Janousch; David K. Shuh; John Arnold","A Comparison of 4f vs 5f Metal-Metal Bonds in (CpSiMe3)3M-ECp* (M = Nd, U; E = Al, Ga; Cp* = C5Me5): Synthesis, Thermodynamics, Magnetism, and Electronic Structure","Journal of the American Chemical Society","2009","131","","13767","13783","10.1021/ja904565j","","","0.71073","MoKα","","0.0516","0.0419","","","0.0774","0.082","","","","","","0.997","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105066","8.3245","0.0005","22.2396","0.0012","28.9822","0.0016","90","","90","","90","","5365.6","0.5","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Nd Si3 -","- C24 H39 Nd Si3 -","- C192 H312 Nd8 Si24 -","8","1","","Stefan G. Minasian; Jamin L. Krinsky; Jeffrey D. Rinehart; Roy Copping; Tolek Tyliszczak; Markus Janousch; David K. Shuh; John Arnold","A Comparison of 4f vs 5f Metal-Metal Bonds in (CpSiMe3)3M-ECp* (M = Nd, U; E = Al, Ga; Cp* = C5Me5): Synthesis, Thermodynamics, Magnetism, and Electronic Structure","Journal of the American Chemical Society","2009","131","","13767","13783","10.1021/ja904565j","","","0.71073","MoKα","","0.0573","0.0349","","","0.0691","0.0765","","","","","","1.006","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105067","13.1352","0.001","13.1883","0.001","17.824","0.0013","90.58","0.001","103.009","0.001","109.119","0.001","2830.7","0.4","131","2","131","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H162 Ga2 Nd4 O2 Si10 -","- C100 H162 Ga2 Nd4 O2 Si10 -","- C100 H162 Ga2 Nd4 O2 Si10 -","1","0.5","","Stefan G. Minasian; Jamin L. Krinsky; Jeffrey D. Rinehart; Roy Copping; Tolek Tyliszczak; Markus Janousch; David K. Shuh; John Arnold","A Comparison of 4f vs 5f Metal-Metal Bonds in (CpSiMe3)3M-ECp* (M = Nd, U; E = Al, Ga; Cp* = C5Me5): Synthesis, Thermodynamics, Magnetism, and Electronic Structure","Journal of the American Chemical Society","2009","131","","13767","13783","10.1021/ja904565j","","","0.71073","MoKα","","0.0529","0.0396","","","0.0893","0.0979","","","","","","1.037","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105068","31.3199","0.0001","66.5281","0.0006","31.002","0.0001","90","","120.28","0.001","90","","55784.5","0.8","123","2","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Co10 H600 Mo88 Na10 O400 -","- Mo87.966 O353.69 -","- Mo351.864 O1414.76 -","4","1","","Hiroyuki Imai; Tomoyuki Akutagawa; Fumito Kudo; Mitsuhiro Ito; Kazuhiro Toyoda; Shin-ichiro Noro; Leroy Cronin; Takayoshi Nakamura","Structure, Magnetism, and Ionic Conductivity of the Gigantic {Mo176}-Wheel Assembly: Na15Fe3Co16[Mo176O528H3(H2O)80]Cl27.450H2O","Journal of the American Chemical Society","2009","131","","13578","13579","10.1021/ja9048042","","x-ray","0.689","","","","0.0752","","","","0.2627","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105069","22.211","0.002","7.9924","0.0008","16.8189","0.0016","90","","110.412","0.001","90","","2798.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 N2 O2 S -","- C13 H20 N2 O2 S -","- C104 H160 N16 O16 S8 -","8","1","","Richard S. Glass; Gordon L. Hug; Christian Schöneich; George S. Wilson; Larisa Kuznetsova; Tang-man Lee; Malika Ammam; Edward Lorance; Thomas Nauser; Gary S. Nichol; Takuhei Yamamoto","Neighboring Amide Participation in Thioether Oxidation: Relevance to Biological Oxidation","Journal of the American Chemical Society","2009","131","","13791","13805","10.1021/ja904895u","","","0.71073","MoKα","","0.0574","0.0465","","","0.114","0.124","","","","","","1.033","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105070","9.0746","0.0003","17.4596","0.0005","36.6618","0.001","90","","90","","90","","5808.7","0.3","295","2","295","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C29 H33 Br N2 O6 -","- C29 H33 Br N2 O6 -","- C232 H264 Br8 N16 O48 -","8","1","","Xiao-Hua Chen; Qiang Wei; Shi-Wei Luo; Han Xiao; Liu-Zhu Gong","Organocatalytic Synthesis of Spiro[pyrrolidin-3,3'-oxindoles] with High Enantiopurity and Structural Diversity","Journal of the American Chemical Society","2009","131","","13819","13825","10.1021/ja905302f","","","1.54184","CuKα","","0.1454","0.074","","","0.1609","0.1772","","","","","","1.056","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105071","11.8387","0.0006","4.987","0.0003","12.2899","0.0006","90","","107.049","0.003","90","","693.7","0.07","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C30 H36 O8 -","2","1","","Stephen P. Lathrop; Tomislav Rovis","Asymmetric Synthesis of Functionalized Cyclopentanones via a Multicatalytic Secondary Amine/N-Heterocyclic Carbene Catalyzed Cascade Sequence","Journal of the American Chemical Society","2009","131","","13628","13630","10.1021/ja905342e","","","0.71073","MoKα","","0.0526","0.0434","","","0.1091","0.1158","","","","","","1.035","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105072","5.7342","0.0005","15.4013","0.0012","13.9378","0.001","90","","93.861","0.003","90","","1228.11","0.17","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","2","","Stephen P. Lathrop; Tomislav Rovis","Asymmetric Synthesis of Functionalized Cyclopentanones via a Multicatalytic Secondary Amine/N-Heterocyclic Carbene Catalyzed Cascade Sequence","Journal of the American Chemical Society","2009","131","","13628","13630","10.1021/ja905342e","","","0.71073","MoKα","","0.0481","0.0385","","","0.0867","0.0911","","","","","","1.075","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105073","10.3296","0.0007","19.3034","0.0012","21.659","0.0014","90","","90","","90","","4318.7","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CpSc(CH2SiMe3)2(thf)","","","- C17 H35 O Sc Si2 -","- C17 H35 O Sc Si2 -","- C136 H280 O8 Sc8 Si16 -","8","1","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.0586","0.0433","","","0.1172","0.1241","","","","","","1.011","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105074","9.6699","0.0008","10.88","0.0009","21.3864","0.0017","90","","94.657","0.001","90","","2242.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(MeC5H4)Sc(CH2SiMe3)2(thf)","","","- C18 H37 O Sc Si2 -","- C18 H37 O Sc Si2 -","- C72 H148 O4 Sc4 Si8 -","4","1","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.0488","0.0375","","","0.097","0.1012","","","","","","1.003","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105075","10.6883","0.0019","10.871","0.002","11.368","0.002","87.149","0.002","75.32","0.002","89.132","0.002","1276.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(C5Me4H)Sc(CH2SiMe3)(thf)","","","- C21 H43 O Sc Si2 -","- C21 H43 O Sc Si2 -","- C42 H86 O2 Sc2 Si4 -","2","1","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.0689","0.0597","","","0.1671","0.1761","","","","","","1.046","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105076","11.4414","0.0005","14.9248","0.0007","17.1487","0.0008","105.954","0.001","90.514","0.001","105.852","0.001","2697.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Cp*Sc(CH2SiMe3)2(thf)","","","- C22 H45 O Sc Si2 -","- C22 H45 O Sc Si2 -","- C88 H180 O4 Sc4 Si8 -","4","2","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.0678","0.042","","","0.0994","0.1094","","","","","","1.025","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105077","10.627","0.003","11.68","0.003","13.541","0.004","83.223","0.004","85.051","0.004","80.193","0.004","1640.9","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(CpPPh2)Sc(CH2SiMe3)2(thf)","","","- C31 H45 P Sc Si2 -","- C31 H42 P Sc Si2 -","- C62 H84 P2 Sc2 Si4 -","2","1","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.0998","0.0537","","","0.116","0.1253","","","","","","1.001","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105078","10.8504","0.0016","11.2243","0.0016","12.3328","0.0018","66.873","0.002","76.458","0.002","80.993","0.002","1339.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(CpC6H4OMe)Sc(CH2SiMe3)2(thf)","","","- C24 H41 O Sc Si2 -","- C24 H41 O Sc Si2 -","- C48 H82 O2 Sc2 Si4 -","2","1","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.043","0.0366","","","0.1025","0.1065","","","","","","1.058","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105079","13.306","0.002","11.573","0.002","15.934","0.003","90","","95.471","0.003","90","","2442.5","0.7","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","(CpC6H4NMeCCH2)Sc(CH2SiMe3)","","","- C48 H78 N2 Sc2 Si2 -","- C48 H78 N2 Sc2 Si2 -","- C96 H156 N4 Sc4 Si4 -","2","0.5","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.0663","0.0403","","","0.0764","0.0807","","","","","","1.034","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105080","12.472","0.003","13.767","0.003","16.813","0.004","93.771","0.003","107.989","0.003","106.375","0.003","2597.1","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","Cp'Sc(CH2SiMe3)(thf)2","","","- C48 H48 B F20 O2 Sc Si2 -","- C48 H48 B F20 O2 Sc Si2 -","- C96 H96 B2 F40 O4 Sc2 Si4 -","2","1","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.0904","0.0517","","","0.1188","0.1307","","","","","","1.024","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105081","11.874","0.002","12.482","0.002","18.539","0.004","102.29","0.003","102.105","0.003","92.921","0.003","2611.8","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","(CpC6H4OMe)Sc(CH2SiMe3)(thf)2","","","- C52 H46 B F20 O3 Sc Si -","- C52 H46 B F20 O3 Sc Si -","- C104 H92 B2 F40 O6 Sc2 Si2 -","2","1","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.1622","0.0924","","","0.1837","0.2152","","","","","","1.045","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105082","12.691","0.005","19.134","0.007","20.044","0.007","68.881","0.005","89.92","0.005","89.596","0.005","4540","3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H124 N6 O14 Zn -","- C100 H124 N6 O14 Zn -","- C200 H248 N12 O28 Zn2 -","2","1","","Janet E. Lovett; Markus Hoffmann; Arjen Cnossen; Alexander T. J. Shutter; Hannah J. Hogben; Christopher W. M. Kay; Christiane R. Timmel; Harry L. Anderson","Probing Flexibility in Porphyrin-Based Molecular Wires Using Double Electron Electron Resonance","Journal of the American Chemical Society","2009","131","","13852","13859","10.1021/ja905796z","","","0.6939","synchrotron","","0.1262","0.073","","0.1061","0.0868","0.0868","","","","","","1.3046","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105083","32.5892","0.0012","15.3988","0.0006","28.4571","0.001","90","","124.734","0.003","90","","11736","0.9","325","2","325","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H71 N O11 -","- C51 H71 N O11 -","- C408 H568 N8 O88 -","8","1","","Paul G. Clark; Michael W. Day; Robert H. Grubbs","Switching and Extension of a [c2]Daisy-Chain Dimer Polymer","Journal of the American Chemical Society","2009","131","","13631","13633","10.1021/ja905924u","","","1.54178","CuKα","","0.1521","0.1087","","","0.1987","0.2031","","","","","","2.758","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4105084","13.566","0.004","15.65","0.005","29.776","0.009","90","","90","","90","","6322","3","103","2","103","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl4 N O5 P Pd S -","- C28 H28 Cl4 N O5 P Pd S -","- C224 H224 Cl32 N8 O40 P8 Pd8 S8 -","8","1","","Shusuke Noda; Akifumi Nakamura; Takuya Kochi; Lung Wa Chung; Keiji Morokuma; Kyoko Nozaki","Mechanistic Studies on the Formation of Linear Polyethylene Chain Catalyzed by Palladium Phosphine-Sulfonate Complexes: Experiment and Theoretical Studies","Journal of the American Chemical Society","2009","131","","14088","14100","10.1021/ja9047398","","","0.7107","MoKα","","0.0396","0.0372","","","0.0914","0.093","","","","","","1.11","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105085","11.595","0.0007","14.7764","0.0009","29.2387","0.0018","90","","90","","90","","5009.5","0.5","143","1","143","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H44 B2 K N O6 -","- C18 H44 B2 K N O6 -","- C144 H352 B16 K8 N8 O48 -","8","1","","Daniel W. Himmelberger; Chang Won Yoon; Martin E. Bluhm; Patrick J. Carroll; Larry G. Sneddon","Base-Promoted Ammonia Borane Hydrogen-Release","Journal of the American Chemical Society","2009","131","","14101","14110","10.1021/ja905015x","","","0.71073","MoKα","","0.0459","0.0374","","","0.0892","0.0943","","","","","","1.031","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105086","7.5161","0.0005","10.3189","0.0005","10.7196","0.0008","90","","89.877","0.006","90","","831.39","0.09","208","2","208","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 B N O2 -","- C17 H26 B N O2 -","- C34 H52 B2 N2 O4 -","2","1","","Kyoung Taek Kim; Jeroen J. L. M. Cornelissen; Roeland J. M. Nolte; Jan C. M. van Hest","Polymeric Monosaccharide Receptors Responsive at Neutral pH","Journal of the American Chemical Society","2009","131","","13908","13909","10.1021/ja905652w","","","0.71073","MoKα","","0.0526","0.042","","0.0891","0.0849","0.0891","","","1.106","","","1.106","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105087","10.604","0.006","12.799","0.007","15.992","0.009","90","","99.688","0.001","90","","2139","2","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Cl N3 O Pd -","- C23 H26 Cl N3 O Pd -","- C92 H104 Cl4 N12 O4 Pd4 -","4","1","","Polly L. Arnold; Melanie S. Sanford; Stephen M. Pearson","Chelating N-Heterocyclic Carbene Alkoxide as a Supporting Ligand for PdII/IV C-H Bond Functionalization Catalysis","Journal of the American Chemical Society","2009","131","","13912","13913","10.1021/ja905713t","","","0.71073","MoKα","","0.0758","0.038","","","0.0692","0.08","","","","","","1.044","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105088","13.5786","0.0007","12.6706","0.0006","15.1481","0.0008","90","","97.18","","90","","2585.8","0.2","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Cl2 N3 O2 Pd -","- C26 H31 Cl2 N3 O2 Pd -","- C104 H124 Cl8 N12 O8 Pd4 -","4","1","","Polly L. Arnold; Melanie S. Sanford; Stephen M. Pearson","Chelating N-Heterocyclic Carbene Alkoxide as a Supporting Ligand for PdII/IV C-H Bond Functionalization Catalysis","Journal of the American Chemical Society","2009","131","","13912","13913","10.1021/ja905713t","","","0.71073","MoKα","","0.0307","0.0261","","","0.0658","0.0688","","","","","","1.08","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105089","36.323","0.012","10.166","0.003","34.552","0.01","90","","99.372","0.009","90","","12588","7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C154 H132 B3 N23 -","- C154 H132 B3 N23 -","- C616 H528 B12 N92 -","4","1","","Barry A. Blight; Amaya Camara-Campos; Smilja Djurdjevic; Martin Kaller; David A. Leigh; Fiona M. McMillan; Hamish McNab; Alexandra M. Z. Slawin","AAA-DDD Triple Hydrogen Bond Complexes","Journal of the American Chemical Society","2009","131","","14116","14122","10.1021/ja906061v","","","1.54178","CuKα","","0.1103","0.0884","","","0.2417","0.2881","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105090","30.938","0.003","12.09","0.002","20.027","0.002","90","","110.221","0.01","90","","7029.2","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H68 F8 Fe N8 -","- C74 H68 F8 Fe N8 -","- C296 H272 F32 Fe4 N32 -","4","0.5","","Heather R. Lucas; Gerald J. Meyer; Kenneth D. Karlin","Carbon Monoxide and Nitrogen Monoxide Ligand Dynamics in Synthetic Heme and Heme-Copper Complex Systems","Journal of the American Chemical Society","2009","131","","13924","13925","10.1021/ja906172c","","","0.71073","MoKα","","0.0806","0.0546","","","0.1399","0.1548","","","","","","0.961","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105091","13.669","0.006","14.829","0.007","18.824","0.008","90","","91.964","0.008","90","","3813","3","143","2","143","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H39 Cl N2 O P Rh S -","- C46 H39 Cl N2 O P Rh S -","- C184 H156 Cl4 N8 O4 P4 Rh4 S4 -","4","1","","Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori","Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition Metal Complexes","Journal of the American Chemical Society","2009","131","","14123","14123","10.1021/ja907161j","","","0.7107","MoKα","","0.1435","0.1127","","","0.2041","0.2285","","","","","","1.264","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105092","46.377","0.009","26.689","0.005","12.107","0.002","90","","92.84","0.03","90","","14967","5","4","","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","JLG-12","","","- C180 H600 Ge139.73 N60 O339.45 -","- Ge139.728 O339.456 -","- Ge139.728 O339.456 -","1","0.125","","Xiaoyan Ren; Yi Li; Qinhe Pan; Jihong Yu; Ruren Xu; Ying Xu","A Crystalline Germanate with Mesoporous 30-Ring Channels","Journal of the American Chemical Society","2009","131","","14128","14129","10.1021/ja902413j","","","0.71073","MoKα","","0.1436","0.0938","","","0.2237","0.2436","","","","","","0.907","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105093","19.698","0.011","9.579","0.005","11.98","0.007","90","0.002","102.414","0.002","90","0.002","2208","2","103.15","","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H38 Ir N P2 -","- C19 H38 Ir N P2 -","- C76 H152 Ir4 N4 P8 -","4","0.5","","Ryo Tanaka; Makoto Yamashita; Kyoko Nozaki","Catalytic Hydrogenation of Carbon Dioxide Using Ir(III)-Pincer Complexes","Journal of the American Chemical Society","2009","131","","14168","14169","10.1021/ja903574e","","","0.7107","MoKα","","0.0503","0.0351","","","0.0727","0.0802","","","","","","1.061","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105094","12.0232","0.0002","15.6642","0.0003","18.963","0.0003","70.65","0.001","87.145","0.001","83.73","0.001","3349.13","0.1","193","2","193","2","","","","","","","chemical synthesis","5","P -1","-P 1","2","(dmpm)Mn(py)2","bis-pyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)manganese(II)","","- C77.61 H85.19 Mn2 N7.61 O0.4 -","- C77.605 H85.185 Mn2 N7.605 O0.395 -","- C155.21 H170.37 Mn4 N15.21 O0.79 -","2","1","","Evan R. King; Theodore A. Betley","Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands","Journal of the American Chemical Society","2009","131","","14374","14380","10.1021/ja903997a","","x-ray","0.71073","MoKα","","0.095","0.0484","","","0.0994","0.117","","","","","","0.998","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105095","14.1937","0.0002","10.4697","0.0001","23.1322","0.0003","90","","104.822","0.001","90","","3323.15","0.07","193","2","193","2","","","","","","","chemical synthesis","4","P 1 21/n 1","-P 2yn","14","(dmpm)Fe(py)2","bis-pyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)iron(II)","","- C39 H42 Fe N4 -","- C39 H42 Fe N4 -","- C156 H168 Fe4 N16 -","4","1","","Evan R. King; Theodore A. Betley","Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands","Journal of the American Chemical Society","2009","131","","14374","14380","10.1021/ja903997a","","x-ray","0.71073","MoKα","","0.0627","0.0392","","","0.0936","0.1059","","","","","","1.019","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105096","16.09","0.0008","12.823","0.0007","17.9711","0.0009","90","","114.562","0.001","90","","3372.3","0.3","193","2","193","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","(dmpm)Co(py)2","bis-pyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)cobalt(II)","","- C39 H42 Co N4 -","- C39 H42 Co N4 -","- C156 H168 Co4 N16 -","4","1","","Evan R. King; Theodore A. Betley","Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands","Journal of the American Chemical Society","2009","131","","14374","14380","10.1021/ja903997a","","x-ray","0.71073","MoKα","","0.0482","0.0382","","","0.0974","0.1057","","","","","","1.038","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105097","9.2319","0.001","27.39","0.003","14.7364","0.0015","90","","96.2208","0.0017","90","","3704.3","0.7","193","2","193","2","","","","","","","chemical synthesis","5","P 1 21/n 1","-P 2yn","14","(dmpm)Ni(py)2","bis-pyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)nickel(II)","","- C43 H50 N4 Ni O -","- C43 H50 N4 Ni O -","- C172 H200 N16 Ni4 O4 -","4","1","","Evan R. King; Theodore A. Betley","Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands","Journal of the American Chemical Society","2009","131","","14374","14380","10.1021/ja903997a","","x-ray","0.71073","MoKα","","0.0662","0.0463","","","0.1052","0.1162","","","","","","1.027","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105098","11.9617","0.0016","15.652","0.002","19.66","0.003","67.369","0.002","87.695","0.003","82.901","0.002","3371.3","0.8","193","2","193","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","(dmpm)Zn(py)2","bis-pyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)zinc(II)","","- C39 H42 N4 Zn -","- C39 H42 N4 Zn -","- C156 H168 N16 Zn4 -","4","2","","Evan R. King; Theodore A. Betley","Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands","Journal of the American Chemical Society","2009","131","","14374","14380","10.1021/ja903997a","","","0.71073","MoKα","","0.083","0.0488","","","0.1164","0.1313","","","","","","1.058","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105099","13.7199","0.0007","12.6669","0.0005","22.8413","0.0012","90","","103.487","0.003","90","","3860.1","0.3","193","2","193","2","","","","","","","chemical synthesis","7","P 1 21/n 1","-P 2yn","14","[(dmpm)CoCl(THF)][Li(THF)2]","(mono-tetrahydrofuran)(1,9-dimesitly-5,5-dimethyldipyrromethanato)cobalt(II) chloride (bis-tetrahydrofuran)lithiate","","- C41 H56 Cl Co Li N2 O3 -","- C41 H56 Cl Co Li N2 O3 -","- C164 H224 Cl4 Co4 Li4 N8 O12 -","4","1","","Evan R. King; Theodore A. Betley","Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands","Journal of the American Chemical Society","2009","131","","14374","14380","10.1021/ja903997a","","x-ray","0.71073","MoKα","","0.1955","0.0671","","","0.1242","0.1774","","","","","","0.927","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105100","10.7737","0.0003","23.0411","0.0005","16.5575","0.0004","90","","90.09","0.001","90","","4110.19","0.18","100","2","100","2","","","","","","","chemical synthesis","5","P 1 21/c 1","-P 2ybc","14","(dmpm)Fe(bpy)","bipyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)nickel(II)","","- C47 H56 Fe N4 O2 -","- C47 H56 Fe N4 O2 -","- C188 H224 Fe4 N16 O8 -","4","1","","Evan R. King; Theodore A. Betley","Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands","Journal of the American Chemical Society","2009","131","","14374","14380","10.1021/ja903997a","","x-ray","0.71073","MoKα","","0.0618","0.0418","","","0.1013","0.1122","","","","","","1.029","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105101","14.389","0.003","7.4555","0.001","21.93","0.009","90","","103.2","0.03","90","","2290.4","1.1","193","2","193","2","","","","","","","chemical synthesis","3","P 1 21/c 1","-P 2ybc","14","(dmpm)-2H","2,5-Dimesityl-7,7-dimethyl-7H-1,6-diazacyclopenta[a]pentalene","","- C29 H30 N2 -","- C29 H30 N2 -","- C116 H120 N8 -","4","1","","Evan R. King; Theodore A. Betley","Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands","Journal of the American Chemical Society","2009","131","","14374","14380","10.1021/ja903997a","","x-ray","0.71073","MoKα","","0.0683","0.0524","","","0.137","0.1528","","","","","","1.017","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105102","9.188","0.003","18.326","0.005","25.212","0.007","90","","98.618","0.005","90","","4197","2","113.1","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 Cl2 F3 O4 P2 Pt S -","- C44 H39 Cl2 F3 O4 P2 Pt S -","- C176 H156 Cl8 F12 O16 P8 Pt4 S4 -","4","1","","Takashi Ohshima; Yoshiki Miyamoto; Junji Ipposhi; Yasuhito Nakahara; Masaru Utsunomiya; Kazushi Mashima","Platinum-Catalyzed Direct Amination of Allylic Alcohols under Mild Conditions: Ligand and Microwave Effects, Substrate Scope, and Mechanistic Study","Journal of the American Chemical Society","2009","131","","14317","14328","10.1021/ja9046075","","","0.71075","MoKα","","","0.0616","","","","0.1612","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105103","8.9147","0.0003","22.8108","0.0006","6.9905","0.0002","90","","104.193","0.004","90","","1378.14","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl F N Pt -","- C15 H15 Cl F N Pt -","- C60 H60 Cl4 F4 N4 Pt4 -","4","1","","Sarah H. Crosby; Guy J. Clarkson; Jonathan P. Rourke","A Delicate Balance between sp2 and sp3 C-H Bond Activation: A Pt(II) Complex with a Dual Agostic Interaction","Journal of the American Chemical Society","2009","131","","14142","14143","10.1021/ja905046n","","","0.71073","MoKα","","0.0286","0.0216","","","0.0434","0.0444","","","","","","1.003","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105104","10.4454","0.0001","9.1995","0.0002","11.4117","0.0002","90","","112.762","0.001","90","","1011.18","0.03","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H18 B0.5 P2 Rh0.5 -","- C6 H18 B0.5 P2 Rh0.5 -","- C24 H72 B2 P8 Rh2 -","4","1","","Michael T. Mock; Robert G. Potter; Donald M. Camaioni; Jun Li; William G. Dougherty; W. Scott Kassel; Brendan Twamley; Daniel L. DuBois","Thermodynamic Studies and Hydride Transfer Reactions from a Rhodium Complex to BX3 Compounds","Journal of the American Chemical Society","2009","131","","14454","14465","10.1021/ja905287q","","","1.54178","CuKα","","0.0361","0.0308","","","0.0784","0.0824","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105105","30.0678","0.0005","9.3277","0.0001","17.4534","0.0003","90","","100.997","0.001","90","","4805.15","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H37 P4 Rh S -","- C18 H37 P4 Rh S -","- C144 H296 P32 Rh8 S8 -","8","1","","Michael T. Mock; Robert G. Potter; Donald M. Camaioni; Jun Li; William G. Dougherty; W. Scott Kassel; Brendan Twamley; Daniel L. DuBois","Thermodynamic Studies and Hydride Transfer Reactions from a Rhodium Complex to BX3 Compounds","Journal of the American Chemical Society","2009","131","","14454","14465","10.1021/ja905287q","","","1.54178","CuKα","","0.0242","0.0225","","","0.0588","0.0598","","","","","","1.029","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105106","13.0664","0.0011","13.0868","0.0011","13.553","0.0012","74.795","0.003","83.485","0.003","89.799","0.003","2221.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H62 B O P4 Rh S4 -","- C40 H62 B O P4 Rh S4 -","- C80 H124 B2 O2 P8 Rh2 S8 -","2","1","","Michael T. Mock; Robert G. Potter; Donald M. Camaioni; Jun Li; William G. Dougherty; W. Scott Kassel; Brendan Twamley; Daniel L. DuBois","Thermodynamic Studies and Hydride Transfer Reactions from a Rhodium Complex to BX3 Compounds","Journal of the American Chemical Society","2009","131","","14454","14465","10.1021/ja905287q","","","0.71073","MoKα","","0.0324","0.026","","","0.06","0.0627","","","","","","1.024","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105107","9.3217","0.0005","23.7165","0.0012","17.4337","0.0009","90","","94.144","0.001","90","","3844.1","0.3","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","[DMPE2Ph][(PhO)4B]","","","- C36 H52 B O4 P4 Rh -","- C36 H52 B O4 P4 Rh -","- C144 H208 B4 O16 P16 Rh4 -","4","1","","Michael T. Mock; Robert G. Potter; Donald M. Camaioni; Jun Li; William G. Dougherty; W. Scott Kassel; Brendan Twamley; Daniel L. DuBois","Thermodynamic Studies and Hydride Transfer Reactions from a Rhodium Complex to BX3 Compounds","Journal of the American Chemical Society","2009","131","","14454","14465","10.1021/ja905287q","","","0.71073","MoKα","","0.0404","0.0354","","","0.0781","0.081","","","","","","1.041","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105108","5.8212","0.0008","24.359","0.003","11.9665","0.0016","90","","94.553","0.004","90","","1691.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 B S3 -","- C18 H15 B S3 -","- C72 H60 B4 S12 -","4","1","","Michael T. Mock; Robert G. Potter; Donald M. Camaioni; Jun Li; William G. Dougherty; W. Scott Kassel; Brendan Twamley; Daniel L. DuBois","Thermodynamic Studies and Hydride Transfer Reactions from a Rhodium Complex to BX3 Compounds","Journal of the American Chemical Society","2009","131","","14454","14465","10.1021/ja905287q","","","0.71073","MoKα","","0.1187","0.0478","","","0.0796","0.0974","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105109","10.0577","0.0019","10.8143","0.001","13.1328","0.0019","90","","100.152","0.014","90","","1406.1","0.4","200","","200","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H10 B F4 Mn O4 -","- C11 H10 B F4 Mn O4 -","- C44 H40 B4 F16 Mn4 O16 -","4","2","","Antoine Eloi; Françoise Rose-Munch; Eric Rose","Resolution of Planar Chiral Cationic (η6-Arene)tricarbonylmanganese Complexes","Journal of the American Chemical Society","2009","131","","14178","14179","10.1021/ja905712k","","","0.71073","MoKα","","0.096","0.0727","","0.1149","0.0831","0.0797","","","","","","1.0744","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105110","7.3987","0.0011","9.934","0.0012","13.8457","0.0019","90","","91.739","0.011","90","","1017.2","0.2","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 Mn O5 -","- C21 H25 Mn O5 -","- C42 H50 Mn2 O10 -","2","1","","Antoine Eloi; Françoise Rose-Munch; Eric Rose","Resolution of Planar Chiral Cationic (η6-Arene)tricarbonylmanganese Complexes","Journal of the American Chemical Society","2009","131","","14178","14179","10.1021/ja905712k","","","0.71073","MoKα","","0.0308","0.0258","","0.0338","0.0298","0.0293","","","","","","1.0793","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105111","8.787","0.005","14.455","0.005","28.832","0.005","90","","90","","90","","3662","3","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H41 N7 O4 -","- C37 H45 N7 O6 -","- C148 H180 N28 O24 -","4","1","","Clémence Mocquet; Arnaud Salaün; Paul Claudon; Barbara Le Grel; Michel Potel; Gilles Guichard; Brigitte Jamart-Grégoire; Philippe Le Grel","Aza-β3-cyclopeptides: A New Way of Controlling Nitrogen Chirality","Journal of the American Chemical Society","2009","131","","14521","14525","10.1021/ja9058074","","x-ray","0.71069","MoKα","","0.0471","0.0443","","","0.0869","0.0883","","","","","","1.17","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105112","25.421","0.0017","25.421","","6.6885","0.0005","90","","90","","120","","3743.2","0.4","100","2","100","2","","","","","","","synthesis as described","4","R 3 :H","R 3","146","","","","- C46 H67 N11 O6 -","- C45.99 H66.99 N11.01 O6 -","- C137.97 H200.97 N33.03 O18 -","3","0.333333","","Clémence Mocquet; Arnaud Salaün; Paul Claudon; Barbara Le Grel; Michel Potel; Gilles Guichard; Brigitte Jamart-Grégoire; Philippe Le Grel","Aza-β3-cyclopeptides: A New Way of Controlling Nitrogen Chirality","Journal of the American Chemical Society","2009","131","","14521","14525","10.1021/ja9058074","","x-ray","0.71073","MoKα","","0.0454","0.0427","","","0.0957","0.0973","","","","","","1.069","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105113","11.31","0.003","28.101","0.006","11.975","0.003","90","","101.068","0.0013","90","","3735.1","1.6","120.15","","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H57 B N2 O3 Ti -","- C35 H57 B N2 O3 Ti -","- C140 H228 B4 N8 O12 Ti4 -","4","1","","Tomomi Terabayashi; Takashi Kajiwara; Makoto Yamashita; Kyoko Nozaki","Group-4 Transition-Metal Boryl Complexes: Syntheses, Structures, Boron-Metal Bonding Properties, and Application as a Polymerization Catalyst","Journal of the American Chemical Society","2009","131","","14162","14163","10.1021/ja905950g","","","0.7107","MoKα","","0.0554","0.0489","","","0.1108","0.1142","","","","","","1.11","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105114","18.7","0.003","12.582","0.002","19.211","0.004","90","","104.734","0.0005","90","","4371.4","1.3","121.15","","121","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H65 B Hf N2 -","- C50 H65 B Hf N2 -","- C200 H260 B4 Hf4 N8 -","4","1","","Tomomi Terabayashi; Takashi Kajiwara; Makoto Yamashita; Kyoko Nozaki","Group-4 Transition-Metal Boryl Complexes: Syntheses, Structures, Boron-Metal Bonding Properties, and Application as a Polymerization Catalyst","Journal of the American Chemical Society","2009","131","","14162","14163","10.1021/ja905950g","","","0.7107","MoKα","","0.0343","0.0299","","","0.0706","0.0748","","","","","","1.066","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105115","8.6071","0.0005","17.832","0.0009","14.8374","0.0007","90","","99.225","0.001","90","","2247.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Cl10 Ir2 N6 Pd -","- C32 H52 Cl10 Ir2 N6 Pd -","- C64 H104 Cl20 Ir4 N12 Pd2 -","2","0.5","","Alessandro Zanardi; José A. Mata; Eduardo Peris","Well-Defined Ir/Pd Complexes with a Triazolyl-diylidene Bridge as Catalysts for Multiple Tandem Reactions","Journal of the American Chemical Society","2009","131","","14531","14537","10.1021/ja906028g","","x-ray","0.71073","MoKα","","0.0697","0.0373","","","0.0745","0.0841","","","","","","1.022","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105116","9.1008","0.001","8.805","0.001","14.0629","0.0015","90","","105.996","0.002","90","","1083.3","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H25 Cl2 F6 Ir N3 P -","- C15 H25 Cl2 F6 Ir N3 P -","- C30 H50 Cl4 F12 Ir2 N6 P2 -","2","1","","Alessandro Zanardi; José A. Mata; Eduardo Peris","Well-Defined Ir/Pd Complexes with a Triazolyl-diylidene Bridge as Catalysts for Multiple Tandem Reactions","Journal of the American Chemical Society","2009","131","","14531","14537","10.1021/ja906028g","","x-ray","0.71073","MoKα","","0.0573","0.0438","","","0.0978","0.1043","","","","","","1.008","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105117","28.963","0.0008","13.9348","0.0004","23.0014","0.0007","90","","126.64","0.001","90","","7448.9","0.4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 Cl12.5 Ir N4 Pd -","- C23 H32 Cl12.5 Ir N4 Pd -","- C184 H256 Cl100 Ir8 N32 Pd8 -","8","1","","Alessandro Zanardi; José A. Mata; Eduardo Peris","Well-Defined Ir/Pd Complexes with a Triazolyl-diylidene Bridge as Catalysts for Multiple Tandem Reactions","Journal of the American Chemical Society","2009","131","","14531","14537","10.1021/ja906028g","","x-ray","0.71073","MoKα","","0.0628","0.0485","","","0.1346","0.1442","","","","","","1.039","","","","has coordinates,has disorder","264764","2021-05-03","08:11:06",""
"4105118","7.328","","6.743","","10.816","","90","","90","","90","","534.448","","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H Ce O6 -","- C3 H Ce O6 -","- C12 H4 Ce4 O24 -","4","1","","Jin Chong Tan; Joshua D. Furman; Anthony K. Cheetham","Relating Mechanical Properties and Chemical Bonding in an Inorganic-Organic Framework Material: A Single-Crystal Nanoindentation Study","Journal of the American Chemical Society","2009","131","","14252","14254","10.1021/ja9060307","","","0.71073","MoKα","","0.0174","0.0171","","","0.0432","0.0444","","","","","","1.079","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105119","16.33","0.003","16.55","0.003","27.623","0.005","90","","105.873","0.003","90","","7181","2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84.5 H102 Ge2 O4 -","- C84.5 H102 Ge2 O4 -","- C338 H408 Ge8 O16 -","4","1","","Xinping Wang; Yang Peng; Marilyn M. Olmstead; James C. Fettinger; Philip P. Power","An Unsymmetric Oxo/Imido-Bridged Germanium-Centered Singlet Diradicaloid","Journal of the American Chemical Society","2009","131","","14164","14165","10.1021/ja906053y","","","0.71073","MoKα","","0.1158","0.0924","","","0.2316","0.242","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105120","11.878","0.005","12.684","0.005","20.133","0.008","95.349","0.006","96.099","0.006","95.729","0.006","2984","2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","D*Ge(O)(NPh)GeD*.0.5toluene","","","- C70.5 H85 Ge2 N O -","- C70.5 H85 Ge2 N O -","- C141 H170 Ge4 N2 O2 -","2","1","","Xinping Wang; Yang Peng; Marilyn M. Olmstead; James C. Fettinger; Philip P. Power","An Unsymmetric Oxo/Imido-Bridged Germanium-Centered Singlet Diradicaloid","Journal of the American Chemical Society","2009","131","","14164","14165","10.1021/ja906053y","","","0.71073","MoKα","","0.1777","0.1091","","","0.2718","0.2956","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105121","37.31","0.007","22.077","0.004","13.469","0.003","90","","96.178","0.003","90","","11030","4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe2(O)(H2O)2BPG2DEV](ClO4)2","","","- C41 H44 Cl2 Fe2 N6 O21 -","- C41 H44 Cl2 Fe2 N6 O21.0004 -","- C328 H352 Cl16 Fe16 N48 O168.003 -","8","1","","Simone Friedle; Jeremy J. Kodanko; Anna J. Morys; Takahiro Hayashi; Pierre Moënne-Loccoz; Stephen J. Lippard","Modeling the Syn Disposition of Nitrogen Donors in Non-Heme Diiron Enzymes. Synthesis, Characterization, and Hydrogen Peroxide Reactivity of Diiron(III) Complexes with the Syn N-Donor Ligand H2BPG2DEV","Journal of the American Chemical Society","2009","131","","14508","14520","10.1021/ja906137y","","","0.71073","MoKα","","0.1199","0.0674","","","0.172","0.2031","","","","","","1.028","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105122","33.486","0.011","17.521","0.006","38.95","0.013","90","","90","","90","","22852","13","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Fe2(O)(O2CAriPrO)BPG2DEV](ClO4)","","","- C55.5 H59.44 Cl2.56 Fe2 N6 O16.97 -","- C55.5 H59.443 Cl2.557 Fe2 N6 O16.9715 -","- C888 H951.088 Cl40.912 Fe32 N96 O271.544 -","16","2","","Simone Friedle; Jeremy J. Kodanko; Anna J. Morys; Takahiro Hayashi; Pierre Moënne-Loccoz; Stephen J. Lippard","Modeling the Syn Disposition of Nitrogen Donors in Non-Heme Diiron Enzymes. Synthesis, Characterization, and Hydrogen Peroxide Reactivity of Diiron(III) Complexes with the Syn N-Donor Ligand H2BPG2DEV","Journal of the American Chemical Society","2009","131","","14508","14520","10.1021/ja906137y","","","0.71073","MoKα","","0.0993","0.0702","","","0.1817","0.2052","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105123","29.39","0.02","19.541","0.013","16.328","0.011","90","","103.023","0.012","90","","9136","11","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe2(O)(CO3)BPG2DEV]","","","- C46 H54 Fe2 N6 O16 -","- C46 H54 Fe2 N6 O16 -","- C368 H432 Fe16 N48 O128 -","8","1","","Simone Friedle; Jeremy J. Kodanko; Anna J. Morys; Takahiro Hayashi; Pierre Moënne-Loccoz; Stephen J. Lippard","Modeling the Syn Disposition of Nitrogen Donors in Non-Heme Diiron Enzymes. Synthesis, Characterization, and Hydrogen Peroxide Reactivity of Diiron(III) Complexes with the Syn N-Donor Ligand H2BPG2DEV","Journal of the American Chemical Society","2009","131","","14508","14520","10.1021/ja906137y","","","0.71073","MoKα","","0.0902","0.0621","","","0.1411","0.1533","","","","","","1.081","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105124","12.9471","0.0005","10.05","0.0004","14.9118","0.0006","90","","101.843","0.0004","90","","1898.99","0.13","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 O2 Si -","- C19 H36 O2 Si -","- C76 H144 O8 Si4 -","4","1","","Michel Prévost; K. A. Woerpel","Insertions of Silylenes into Vinyl Epoxides: Diastereoselective Synthesis of Functionalized, Optically Active trans-Dioxasilacyclooctenes","Journal of the American Chemical Society","2009","131","","14182","14183","10.1021/ja906204a","","","0.71073","MoKα","","0.0335","0.0304","","","0.0832","0.0861","","","","","","1.049","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105125","8.2287","0.0006","18.2598","0.0013","20.6213","0.0015","103.53","0.0009","90.5933","0.0009","102.354","0.0009","2936.7","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H48 O7 Si -","- C28 H48 O7 Si -","- C112 H192 O28 Si4 -","4","2","","Michel Prévost; K. A. Woerpel","Insertions of Silylenes into Vinyl Epoxides: Diastereoselective Synthesis of Functionalized, Optically Active trans-Dioxasilacyclooctenes","Journal of the American Chemical Society","2009","131","","14182","14183","10.1021/ja906204a","","","0.71073","MoKα","","0.0522","0.04","","","0.0991","0.1058","","","","","","1.022","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105126","5.0947","0.0009","22.762","0.004","24.163","0.004","90","","90","","90","","2802.1","0.8","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N O10 -","- C28 H33 N O10 -","- C112 H132 N4 O40 -","4","1","","Marlin Penner; Vivek Rauniyar; Ludwig T. Kaspar; Dennis G. Hall","Catalytic Asymmetric Synthesis of Palmerolide A via Organoboron Methodology","Journal of the American Chemical Society","2009","131","","14216","14217","10.1021/ja906429c","","","0.71073","MoKα","","0.1255","0.0591","","","0.0943","0.1124","","","","","","1.03","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105127","14.9202","0.0016","14.1025","0.0015","15.2798","0.0016","90","","101.111","0.001","90","","3154.8","0.6","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H36 B N -","- C37 H36 B N -","- C148 H144 B4 N4 -","4","1","","Chul Baik; Zachary M. Hudson; Hazem Amarne; Suning Wang","Enhancing the Photochemical Stability of N,C-Chelate Boryl Compounds: C-C Bond Formation versus C=C Bond cis,trans-Isomerization","Journal of the American Chemical Society","2009","131","","14549","14559","10.1021/ja906430s","","","0.71073","MoKα","","0.0848","0.0552","","","0.1503","0.164","","","","","","1.103","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105128","14.8343","0.0003","13.9749","0.0003","15.5452","0.0003","90","","102.543","0.002","90","","3145.73","0.11","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 B N -","- C40 H41 B N -","- C160 H164 B4 N4 -","4","1","","Chul Baik; Zachary M. Hudson; Hazem Amarne; Suning Wang","Enhancing the Photochemical Stability of N,C-Chelate Boryl Compounds: C-C Bond Formation versus C=C Bond cis,trans-Isomerization","Journal of the American Chemical Society","2009","131","","14549","14559","10.1021/ja906430s","","","0.71073","MoKα","","0.0993","0.0608","","","0.1546","0.1808","","","","","","1.038","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105129","18.4312","0.0011","11.1173","0.0008","15.6979","0.0009","90","","112.743","0.004","90","","2966.5","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 B Cl2 N -","- C35 H35 B Cl2 N -","- C140 H140 B4 Cl8 N4 -","4","1","","Chul Baik; Zachary M. Hudson; Hazem Amarne; Suning Wang","Enhancing the Photochemical Stability of N,C-Chelate Boryl Compounds: C-C Bond Formation versus C=C Bond cis,trans-Isomerization","Journal of the American Chemical Society","2009","131","","14549","14559","10.1021/ja906430s","","","0.71073","MoKα","","0.1758","0.0604","","","0.1073","0.148","","","","","","0.959","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105130","16.582","0.004","17.149","0.004","19.939","0.006","79.126","0.004","65.471","0.003","64.616","0.003","4660","2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H96 B3 N3 -","- C99 H96 B3 N3 -","- C198 H192 B6 N6 -","2","1","","Chul Baik; Zachary M. Hudson; Hazem Amarne; Suning Wang","Enhancing the Photochemical Stability of N,C-Chelate Boryl Compounds: C-C Bond Formation versus C=C Bond cis,trans-Isomerization","Journal of the American Chemical Society","2009","131","","14549","14559","10.1021/ja906430s","","","0.71073","MoKα","","0.1993","0.0672","","","0.1325","0.1619","","","","","","0.786","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105131","7.344","0.006","10.456","0.008","19.492","0.015","90","","90.422","0.009","90","","1497","2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H30 I2 O8 -","- C32.32 H30 I2 O8 -","- C64.64 H60 I4 O16 -","2","1","","Hidehiro Suematsu; Tsutomu Katsuki","Iridium(III) Catalyzed Diastereo- and Enantioselective C-H Bond Functionalization","Journal of the American Chemical Society","2009","131","","14218","14219","10.1021/ja9065267","","","0.71073","MoKα","","0.1071","0.1053","","","0.2618","0.263","","","","","","1.244","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105132","27.695","0.008","15.054","0.005","32.739","0.011","90","0.0014","102.696","0.0016","90","0.0014","13316","7","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C78 H84 O6 Si3 -","- C78 H84 O6 Si3 -","- C624 H672 O48 Si24 -","8","2","","Shunsuke Furukawa; Junji Kobayashi; Takayuki Kawashima","Development of a Sila-Friedel-Crafts Reaction and Its Application to the Synthesis of Dibenzosilole Derivatives","Journal of the American Chemical Society","2009","131","","14192","14193","10.1021/ja906566r","","","0.7107","MoKα","","0.1961","0.1489","","","0.3862","0.4551","","","","","","1.58","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105133","18.846","0.0006","17.5996","0.0005","27.546","0.0008","90","","90","","90","","9136.5","0.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H72 Ir N O P2 Si -","- C47 H72 Ir N O P2 Si -","- C376 H576 Ir8 N8 O8 P16 Si8 -","8","1","","Erin Morgan; Darren F. MacLean; Robert McDonald; Laura Turculet","Rhodium and Iridium Amido Complexes Supported by Silyl Pincer Ligation: Ammonia N-H Bond Activation by a [PSiP]Ir Complex","Journal of the American Chemical Society","2009","131","","14234","14236","10.1021/ja906646v","","","0.71073","MoKα","","0.0423","0.0236","","","0.0523","0.0618","","","","","","1.088","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105134","11.962","0.0006","18.534","0.0009","18.73","0.001","90","","103.205","0.0006","90","","4042.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 P3 Rh Si -","- C40 H64 P3 Rh Si -","- C160 H256 P12 Rh4 Si4 -","4","1","","Erin Morgan; Darren F. MacLean; Robert McDonald; Laura Turculet","Rhodium and Iridium Amido Complexes Supported by Silyl Pincer Ligation: Ammonia N-H Bond Activation by a [PSiP]Ir Complex","Journal of the American Chemical Society","2009","131","","14234","14236","10.1021/ja906646v","","","0.71073","MoKα","","0.0318","0.0264","","","0.0659","0.0693","","","","","","1.038","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105135","12.0501","0.0006","19.8548","0.001","17.779","0.0009","90","","91.6341","0.0007","90","","4251.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H66 Ir N P2 Si -","- C45 H66 Ir N P2 Si -","- C180 H264 Ir4 N4 P8 Si4 -","4","1","","Erin Morgan; Darren F. MacLean; Robert McDonald; Laura Turculet","Rhodium and Iridium Amido Complexes Supported by Silyl Pincer Ligation: Ammonia N-H Bond Activation by a [PSiP]Ir Complex","Journal of the American Chemical Society","2009","131","","14234","14236","10.1021/ja906646v","","","0.71073","MoKα","","0.0369","0.0262","","","0.0572","0.061","","","","","","1.043","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105136","11.7712","0.0019","17.415","0.003","20.937","0.003","90","","105.739","0.002","90","","4131.1","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H62 N P2 Rh Si -","- C43 H62 N P2 Rh Si -","- C172 H248 N4 P8 Rh4 Si4 -","4","1","","Erin Morgan; Darren F. MacLean; Robert McDonald; Laura Turculet","Rhodium and Iridium Amido Complexes Supported by Silyl Pincer Ligation: Ammonia N-H Bond Activation by a [PSiP]Ir Complex","Journal of the American Chemical Society","2009","131","","14234","14236","10.1021/ja906646v","","","0.71073","MoKα","","0.111","0.0519","","","0.1021","0.1241","","","","","","1.009","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105137","11.403","","12.964","","18.047","","74.12","","89.69","","86.76","","2561.8","","213","","213","","","","","","","","","7","P 1","P 1","1","","","","- C132 H94 B2 Cu2 F8 Fe2 N10 -","- C132 H94 B2 Cu2 F8 Fe2 N10 -","- C132 H94 B2 Cu2 F8 Fe2 N10 -","1","1","","Shoko Kume; Kuniharu Nomoto; Tetsuro Kusamoto; Hiroshi Nishihara","Intramolecular Electron Arrangement with a Rotative Trigger","Journal of the American Chemical Society","2009","131","","14198","14199","10.1021/ja906684g","","","0.71073","MoKα","","","0.0527","","","","0.1493","","","","","","1.082","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105138","11.807","0.005","11.176","0.005","40.409","0.005","90","0.005","94.775","0.005","90","0.005","5314","3","213","","213","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H51 B Cu F4 Fe N5 -","- C68 H51 B Cu F4 Fe N5 -","- C272 H204 B4 Cu4 F16 Fe4 N20 -","4","1","","Shoko Kume; Kuniharu Nomoto; Tetsuro Kusamoto; Hiroshi Nishihara","Intramolecular Electron Arrangement with a Rotative Trigger","Journal of the American Chemical Society","2009","131","","14198","14199","10.1021/ja906684g","","","0.71073","MoKα","","","0.072","","","","0.1952","","","","","","1.081","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105139","12.3398","0.0008","12.9936","0.0008","24.7548","0.0016","90","","90","","90","","3969.1","0.4","153","2","153","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 Cl5 F Ga N2 P6 -","- C30 H39 Cl5 F Ga N2 P6 -","- C120 H156 Cl20 F4 Ga4 N8 P24 -","4","1","","Michael H. Holthausen; Jan J. Weigand","Preparation of the [(DippNP)~2~(P~4~)~2~]^2+^-Dication by the Reaction of [DippNPCl]2 and a Lewis Acid with P~4~","Journal of the American Chemical Society","2009","131","","14210","14211","10.1021/ja906878q","","","0.71073","MoKα","","0.0291","0.0251","","","0.0608","0.0626","","","","","","1.036","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105140","24.2241","0.0017","11.4374","0.0008","21.2238","0.0015","90","","115.093","0.001","90","","5325.3","0.6","153","2","153","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Cl14 Ga4 N2 P10 -","- C24 H34 Cl14 Ga4 N2 P10 -","- C96 H136 Cl56 Ga16 N8 P40 -","4","0.5","","Michael H. Holthausen; Jan J. Weigand","Preparation of the [(DippNP)~2~(P~4~)~2~]^2+^-Dication by the Reaction of [DippNPCl]2 and a Lewis Acid with P~4~","Journal of the American Chemical Society","2009","131","","14210","14211","10.1021/ja906878q","","","0.71073","MoKα","","0.0441","0.0301","","","0.0691","0.0745","","","","","","1.022","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105141","57.185","0.003","57.185","0.003","57.185","0.003","90","","90","","90","","187002","17","150","2","150","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C23.04 H36.83 Fe7 Na5 O50.92 -","- C22 H14 Fe7 Na2 O45 -","- C2112 H1344 Fe672 Na192 O4320 -","96","1","","Zhi-Ming Zhang; Shuang Yao; Yang-Guang Li; Rodolphe Clérac; Ying Lu; Zhong-Min Su; En-Bo Wang","Protein-Sized Chiral Fe168 Cages with NbO-Type Topology","Journal of the American Chemical Society","2009","131","","14600","14601","10.1021/ja903776h","","","0.71073","MoKα","","0.0883","0.0616","","","0.143","0.1533","","","","","","0.96","","","","has coordinates,has disorder","289031","2024-01-11","08:35:58",""
"4105142","57.1261","0.0017","57.1261","0.0017","57.1261","0.0017","90","","90","","90","","186425","10","150","2","150","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C23.04 H36.83 Fe7 Na5 O50.92 -","- C22 H14 Fe7 Na2 O45.5 -","- C2112 H1344 Fe672 Na192 O4368 -","96","1","","Zhi-Ming Zhang; Shuang Yao; Yang-Guang Li; Rodolphe Clérac; Ying Lu; Zhong-Min Su; En-Bo Wang","Protein-Sized Chiral Fe168 Cages with NbO-Type Topology","Journal of the American Chemical Society","2009","131","","14600","14601","10.1021/ja903776h","","","0.71073","MoKα","","0.1018","0.0596","","","0.157","0.2018","","","","","","1.084","","","","has coordinates,has disorder","289031","2024-01-11","08:36:03",""
"4105143","8.6689","0.0013","10.3474","0.0014","10.8645","0.0016","76.576","0.007","67.489","0.007","76.621","0.007","864.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H55 Hf2 I N2 -","- C37.0018 H55.0054 Hf2 I0.9982 N2 -","- C37.0018 H55.0054 Hf2 I0.9982 N2 -","1","0.5","","Donald J. Knobloch; David Benito-Garagorri; Wesley H. Bernskoetter; Ivan Keresztes; Emil Lobkovsky; Hannah Toomey; Paul J. Chirik","Addition of Methyl Triflate to a Hafnocene Dinitrogen Complex: Stepwise N2 Methylation and Conversion to a Hafnocene Hydrazonato Compound","Journal of the American Chemical Society","2009","131","","14903","14912","10.1021/ja904436a","","","0.71073","MoKα","","0.0603","0.0452","","","0.1071","0.111","","","","","","1.082","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105144","13.4973","0.0009","13.4973","0.0009","13.3928","0.0008","90","","90","","90","","2439.9","0.3","150","1","150","1","","","","","","","","5","I 4/m","-I 4","87","","","","- C48 H57 Fe4 O0.5 Si4 -","- C48 H56 Fe4 O0.5 Si4 -","- C96 H112 Fe8 O Si8 -","2","0.125","","David E. Herbert; Joe B. Gilroy; Wing Yan Chan; Laurent Chabanne; Anne Staubitz; Alan J. Lough; Ian Manners","Redox-Active Metallomacrocycles and Cyclic Metallopolymers: Photocontrolled Ring-Opening Oligomerization and Polymerization of Silicon-Bridged [1]Ferrocenophanes Using Substitutionally-Labile Lewis Bases as Initiators","Journal of the American Chemical Society","2009","131","","14958","14968","10.1021/ja904928c","","","0.71073","MoKα","","0.0624","0.0474","","","0.1352","0.146","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105145","12.9003","0.0003","15.3544","0.0004","15.9986","0.0003","69.935","0.013","89.91","0.014","69.945","0.013","2771.8","0.4","150","1","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H70 Fe5 Si5 -","- C60 H70 Fe5 Si5 -","- C120 H140 Fe10 Si10 -","2","1","","David E. Herbert; Joe B. Gilroy; Wing Yan Chan; Laurent Chabanne; Anne Staubitz; Alan J. Lough; Ian Manners","Redox-Active Metallomacrocycles and Cyclic Metallopolymers: Photocontrolled Ring-Opening Oligomerization and Polymerization of Silicon-Bridged [1]Ferrocenophanes Using Substitutionally-Labile Lewis Bases as Initiators","Journal of the American Chemical Society","2009","131","","14958","14968","10.1021/ja904928c","","","0.71073","MoKα","","0.081","0.0466","","","0.1072","0.1236","","","","","","1.03","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105146","9.9248","0.0014","9.9248","0.0014","67.014","0.013","90","","90","","90","","6601","1.8","150","1","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C72 H84 Fe6 Si6 -","- C72 H84 Fe6 Si6 -","- C288 H336 Fe24 Si24 -","4","0.5","","David E. Herbert; Joe B. Gilroy; Wing Yan Chan; Laurent Chabanne; Anne Staubitz; Alan J. Lough; Ian Manners","Redox-Active Metallomacrocycles and Cyclic Metallopolymers: Photocontrolled Ring-Opening Oligomerization and Polymerization of Silicon-Bridged [1]Ferrocenophanes Using Substitutionally-Labile Lewis Bases as Initiators","Journal of the American Chemical Society","2009","131","","14958","14968","10.1021/ja904928c","","","0.71073","MoKα","","0.1014","0.055","","","0.1045","0.1255","","","","","","1.069","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105147","13.3855","0.0003","13.7448","0.0002","27.3253","0.0007","94.058","0.0013","98.887","0.001","113.06","0.0012","4522.19","0.17","150","1","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H98 Fe7 Si7 -","- C84 H98 Fe7 Si7 -","- C168 H196 Fe14 Si14 -","2","1","","David E. Herbert; Joe B. Gilroy; Wing Yan Chan; Laurent Chabanne; Anne Staubitz; Alan J. Lough; Ian Manners","Redox-Active Metallomacrocycles and Cyclic Metallopolymers: Photocontrolled Ring-Opening Oligomerization and Polymerization of Silicon-Bridged [1]Ferrocenophanes Using Substitutionally-Labile Lewis Bases as Initiators","Journal of the American Chemical Society","2009","131","","14958","14968","10.1021/ja904928c","","","0.71073","MoKα","","0.0774","0.0528","","","0.1438","0.1543","","","","","","1.069","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105148","10.653","0.009","12.153","0.009","13.824","0.012","90","","101.614","0.004","90","","1753","2","103.15","","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 O3 P S -","- C18 H27 O3 P S -","- C72 H108 O12 P4 S4 -","4","1","","Shingo Ito; Kagehiro Munakata; Akifumi Nakamura; Kyoko Nozaki","Copolymerization of Vinyl Acetate with Ethylene by Palladium/Alkylphosphine-Sulfonate Catalysts","Journal of the American Chemical Society","2009","131","","14606","14607","10.1021/ja9050839","","","0.7107","MoKα","","0.1114","0.092","","","0.1848","0.195","","","","","","1.208","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105149","13.59","0.003","16.051","0.004","16.89","0.004","90","","111.273","0.0011","90","","3433.2","1.4","103.15","","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl6 N O3 P Pd S -","- C28 H40 Cl6 N O3 P Pd S -","- C112 H160 Cl24 N4 O12 P4 Pd4 S4 -","4","1","","Shingo Ito; Kagehiro Munakata; Akifumi Nakamura; Kyoko Nozaki","Copolymerization of Vinyl Acetate with Ethylene by Palladium/Alkylphosphine-Sulfonate Catalysts","Journal of the American Chemical Society","2009","131","","14606","14607","10.1021/ja9050839","","","0.7107","MoKα","","0.0335","0.0308","","","0.0721","0.0737","","","","","","1.08","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105150","14.071","0.003","14.362","0.003","17.44","0.004","90","","113.129","0.0008","90","","3241.1","1.2","103.15","","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H78 Cl12 N2 O6 P2 Pd2 S2 -","- C48 H78 Cl12 N2 O6 P2 Pd2 S2 -","- C96 H156 Cl24 N4 O12 P4 Pd4 S4 -","2","0.5","","Shingo Ito; Kagehiro Munakata; Akifumi Nakamura; Kyoko Nozaki","Copolymerization of Vinyl Acetate with Ethylene by Palladium/Alkylphosphine-Sulfonate Catalysts","Journal of the American Chemical Society","2009","131","","14606","14607","10.1021/ja9050839","","","0.7107","MoKα","","0.0381","0.0329","","","0.0734","0.0766","","","","","","1.09","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105151","16.0272","0.0011","16.0272","0.0011","59.8917","0.0011","90","","90","","120","","13323.3","1.3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C54 H90 Co3 N12 Na12 O57 -","- C54 H24 Co3 N12 Na12 O56.99 -","- C324 H144 Co18 N72 Na72 O341.94 -","6","0.166667","","Marie-Claire Dul; Emilio Pardo; Rodrigue Lescouëzec; Lise-Marie Chamoreau; Françoise Villain; Yves Journaux; Rafael Ruiz-García; Joan Cano; Miguel Julve; Francesc Lloret; Jorge Pasán; Catalina Ruiz-Pérez","Redox Switch-Off of the Ferromagnetic Coupling in a Mixed-Spin Tricobalt(II) Triple Mesocate","Journal of the American Chemical Society","2009","131","","14614","14615","10.1021/ja9052202","","x-ray","0.71073","Mokα","","0.161","0.1162","","","0.3119","0.3565","","","","","","1.039","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105152","5.72385","0.0001","14.0831","0.0003","14.9468","0.0003","90","","90","","90","","1204.85","0.04","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","","Tomoyuki Mashiko; Naoya Kumagai; Masakatsu Shibasaki","Managing Highly Coordinative Substrates in Asymmetric Catalysis: A Catalytic Asymmetric Amination with a Lanthanum-Based Ternary Catalyst","Journal of the American Chemical Society","2009","131","","14990","14999","10.1021/ja9052653","","","1.54187","CuKα","","","0.0341","","","","0.0962","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105153","10.23","0.002","14.66","0.003","15.92","0.003","90","","101.55","0.03","90","","2339.2","0.8","10","2","10","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","C23H29O5F3S","","- C23 H29 F3 O5 S -","- C23 F3 O5 S -","- C92 F12 O20 S4 -","4","1","","Jörg Hallmann; Wolfgang Morgenroth; Carsten Paulmann; Jav Davaasambuu; Qingyu Kong; Michael Wulff; Simone Techert","Time-Resolved X-ray Diffraction of the Photochromic α-Styrylpyrylium Trifluoromethanesulfonate Crystal Films Reveals Ultrafast Structural Switching","Journal of the American Chemical Society","2009","131","","15018","15025","10.1021/ja905484u","","","0.62","","","0.0436","0.0423","","","0.1103","0.1154","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105154","10.83","0.002","13.87","0.003","16.02","0.003","90","","105.82","0.03","90","","2315.3","0.9","293","2","10","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","C46H58O10F6S2","","- C46 H58 F6 O10 S2 -","- C46 F6 O10 S2 -","- C92 F12 O20 S4 -","2","0.5","","Jörg Hallmann; Wolfgang Morgenroth; Carsten Paulmann; Jav Davaasambuu; Qingyu Kong; Michael Wulff; Simone Techert","Time-Resolved X-ray Diffraction of the Photochromic α-Styrylpyrylium Trifluoromethanesulfonate Crystal Films Reveals Ultrafast Structural Switching","Journal of the American Chemical Society","2009","131","","15018","15025","10.1021/ja905484u","","","0.62","","","0.0495","0.0511","","","0.1414","0.136","","","","","","1.059","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105155","10.23","0.002","14.66","0.003","15.92","0.003","90","","102.9","0.3","90","","2327","3","360","2","360","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 F3 O5 S -","- C46 F6 O10 S2 -","- C184 F24 O40 S8 -","4","1","","Jörg Hallmann; Wolfgang Morgenroth; Carsten Paulmann; Jav Davaasambuu; Qingyu Kong; Michael Wulff; Simone Techert","Time-Resolved X-ray Diffraction of the Photochromic α-Styrylpyrylium Trifluoromethanesulfonate Crystal Films Reveals Ultrafast Structural Switching","Journal of the American Chemical Society","2009","131","","15018","15025","10.1021/ja905484u","","","0.71073","synchrotronradiation","","0.0898","0.0823","","","0.1703","0.1754","","","","","","1.142","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105156","8.235","0.002","26.588","0.006","15.749","0.004","90","","101.539","0.0011","90","","3378.6","1.4","113.1","","113.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 B N7 O2 Rh S -","- C31 H47 B N7 O2 Rh S -","- C124 H188 B4 N28 O8 Rh4 S4 -","4","1","","Yoshiyuki Misumi; Hidetake Seino; Yasushi Mizobe","Heterolytic Cleavage of Hydrogen Molecule by Rhodium Thiolate Complexes That Catalyze Chemoselective Hydrogenation of Imines under Ambient Conditions","Journal of the American Chemical Society","2009","131","","14636","14637","10.1021/ja905835u","","","0.7107","MoKα","","","0.0341","","","","0.1145","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105157","5.6956","0.0008","11.8505","0.0017","22.719","0.003","90","","90","","90","","1533.4","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","En Zhang; Chun-An Fan; Yong-Qiang Tu; Fu-Min Zhang; Yan-Lin Song","Organocatalytic Asymmetric Vinylogous α-Ketol Rearrangement: Enantioselective Construction of Chiral All-Carbon Quaternary Stereocenters in Spirocyclic Diketones via Semipinacol-Type 1,2-Carbon Migration","Journal of the American Chemical Society","2009","131","","14626","14627","10.1021/ja906291n","","","0.71073","MoKα","","0.0553","0.0411","","","0.0918","0.0987","","","","","","1.043","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105158","11.662","0.006","6.404","0.003","21.73","0.01","90","","97.407","0.008","90","","1609.3","1.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 Br O2 -","- C18 H21 Br O2 -","- C72 H84 Br4 O8 -","4","2","","En Zhang; Chun-An Fan; Yong-Qiang Tu; Fu-Min Zhang; Yan-Lin Song","Organocatalytic Asymmetric Vinylogous α-Ketol Rearrangement: Enantioselective Construction of Chiral All-Carbon Quaternary Stereocenters in Spirocyclic Diketones via Semipinacol-Type 1,2-Carbon Migration","Journal of the American Chemical Society","2009","131","","14626","14627","10.1021/ja906291n","","","0.71073","MoKα","","0.1107","0.0483","","","0.0922","0.1102","","","","","","0.976","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105159","8.1452","0.0006","17.3379","0.0012","24.364","0.0017","90","","90","","90","","3440.7","0.4","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Cl N2 O3 -","- C18 H19 Cl N2 O3 -","- C144 H152 Cl8 N16 O24 -","8","2","","S. Corey Valdez; James L. Leighton","Tandem Asymmetric Aza-Darzens/Ring-Opening Reactions: Dual Functionality from the Silane Lewis Acid","Journal of the American Chemical Society","2009","131","","14638","14639","10.1021/ja9066354","","","0.71073","MoKα","","0.0723","0.054","","","0.1455","0.1595","","","","","","1.044","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105160","5.7656","0.0004","8.9612","0.0006","29.955","0.002","90","","90","","90","","1547.68","0.18","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","S. Corey Valdez; James L. Leighton","Tandem Asymmetric Aza-Darzens/Ring-Opening Reactions: Dual Functionality from the Silane Lewis Acid","Journal of the American Chemical Society","2009","131","","14638","14639","10.1021/ja9066354","","","0.71073","MoKα","","0.0389","0.0355","","","0.1006","0.1039","","","","","","1.032","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105161","13.6331","0.0009","11.0404","0.0007","22.001","0.0015","90","","102.501","0.001","90","","3233","0.4","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33.5 H42 Br N3 O3 -","- C26 H24 Br N3 O3 -","- C104 H96 Br4 N12 O12 -","4","2","","S. Corey Valdez; James L. Leighton","Tandem Asymmetric Aza-Darzens/Ring-Opening Reactions: Dual Functionality from the Silane Lewis Acid","Journal of the American Chemical Society","2009","131","","14638","14639","10.1021/ja9066354","","","0.71073","MoKα","","0.079","0.0478","","","0.1242","0.1355","","","","","","0.845","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105162","15.742","0.003","26.645","0.005","17.681","0.004","90","","103.16","0.03","90","","7221","3","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H40.5 N1.5 O7 Si -","- C41 H40.5 N1.5 O7 Si -","- C328 H324 N12 O56 Si8 -","8","4","","K. C. Nicolaou; Jochen Becker; Yee Hwee Lim; Alexandre Lemire; Thomas Neubauer; Ana Montero","Total Synthesis and Biological Evaluation of (+)- and (-)-Bisanthraquinone Antibiotic BE-43472B and Related Compounds","Journal of the American Chemical Society","2009","131","","14812","14826","10.1021/ja9073694","","","0.71073","MoKα","","0.1624","0.0925","","","0.2073","0.2501","","","","","","0.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105163","11.151","0.002","27.735","0.006","9.5831","0.0019","90","","109.99","0.03","90","","2785.2","1.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 O10 -","- C34 H34 O10 -","- C136 H136 O40 -","4","1","","K. C. Nicolaou; Jochen Becker; Yee Hwee Lim; Alexandre Lemire; Thomas Neubauer; Ana Montero","Total Synthesis and Biological Evaluation of (+)- and (-)-Bisanthraquinone Antibiotic BE-43472B and Related Compounds","Journal of the American Chemical Society","2009","131","","14812","14826","10.1021/ja9073694","","","0.71073","MoKα","","0.1025","0.0575","","","0.1309","0.1534","","","","","","1.008","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105164","12.657","0.003","14.294","0.003","28.298","0.006","90","","90","","90","","5120","2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H22 O9 -","- C32 H22 O9 -","- C256 H176 O72 -","8","2","","K. C. Nicolaou; Jochen Becker; Yee Hwee Lim; Alexandre Lemire; Thomas Neubauer; Ana Montero","Total Synthesis and Biological Evaluation of (+)- and (-)-Bisanthraquinone Antibiotic BE-43472B and Related Compounds","Journal of the American Chemical Society","2009","131","","14812","14826","10.1021/ja9073694","","","0.71073","MoKα","","0.1375","0.0904","","","0.1804","0.2038","","","","","","1.106","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105165","12.608","0.003","14.246","0.003","28.197","0.006","90","","90","","90","","5064.6","1.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H22 O9 -","- C32 H22 O9 -","- C256 H176 O72 -","8","2","","K. C. Nicolaou; Jochen Becker; Yee Hwee Lim; Alexandre Lemire; Thomas Neubauer; Ana Montero","Total Synthesis and Biological Evaluation of (+)- and (-)-Bisanthraquinone Antibiotic BE-43472B and Related Compounds","Journal of the American Chemical Society","2009","131","","14812","14826","10.1021/ja9073694","","","0.71073","MoKα","","0.1161","0.0769","","","0.1444","0.1604","","","","","","1.114","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4105166","13.416","0.003","13.731","0.003","15.84","0.003","66.45","0.007","81.445","0.008","88.26","0.008","2643.8","1","153","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50.54 H50 F12 N10 O4 P2 Ru2 -","- C50.518 H50 F12 N10 O4 P2 Ru2 -","- C101.036 H100 F24 N20 O8 P4 Ru4 -","2","1","","Fernando Bozoglian; Sophie Romain; Mehmed Z. Ertem; Tanya K. Todorova; Cristina Sens; Joaquim Mola; Montserrat Rodríguez; Isabel Romero; Jordi Benet-Buchholz; Xavier Fontrodona; Christopher J. Cramer; Laura Gagliardi; Antoni Llobet","The Ru-Hbpp Water Oxidation Catalyst","Journal of the American Chemical Society","2009","131","","15176","15187","10.1021/ja9036127","","","0.71073","MoKα","","0.0562","0.0437","","","0.119","0.1262","","","","","","1.052","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4105167","9.327","0.003","15.377","0.005","35.421","0.011","90","","90","","90","","5080","3","300","2","300","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C44 H31 F16 N10 O3 P2 Ru2 S -","- C44 H31 F16 N10 O3 P2 Ru2 S -","- C176 H124 F64 N40 O12 P8 Ru8 S4 -","4","0.5","","Fernando Bozoglian; Sophie Romain; Mehmed Z. Ertem; Tanya K. Todorova; Cristina Sens; Joaquim Mola; Montserrat Rodríguez; Isabel Romero; Jordi Benet-Buchholz; Xavier Fontrodona; Christopher J. Cramer; Laura Gagliardi; Antoni Llobet","The Ru-Hbpp Water Oxidation Catalyst","Journal of the American Chemical Society","2009","131","","15176","15187","10.1021/ja9036127","","","0.71073","MoKα","","0.2306","0.1037","","","0.241","0.3152","","","","","","1.041","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105168","12.973","0.005","16.288","0.006","25.794","0.01","90","","90","","90","","5450","4","573","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 Cl4 N10 O14 Ru2 -","- C46 H36 Cl4 N10 O14 Ru2 -","- C184 H144 Cl16 N40 O56 Ru8 -","4","1","","Fernando Bozoglian; Sophie Romain; Mehmed Z. Ertem; Tanya K. Todorova; Cristina Sens; Joaquim Mola; Montserrat Rodríguez; Isabel Romero; Jordi Benet-Buchholz; Xavier Fontrodona; Christopher J. Cramer; Laura Gagliardi; Antoni Llobet","The Ru-Hbpp Water Oxidation Catalyst","Journal of the American Chemical Society","2009","131","","15176","15187","10.1021/ja9036127","","","0.71073","MoKα","","0.0928","0.0563","","","0.1444","0.1637","","","","","","0.987","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105169","24.3673","0.0009","24.3673","0.0009","10.6844","0.0013","90","","90","","120","","5494.1","0.7","293","2","293","2","","","","","","","","4","P 65","P 65","170","Boc-D-Pro-Aib-Leu-Aib-Val-OMe","t-Butyloxycarbonyl-D-prolyl-alpha-aminoisobutyryl-leucyl -alpha-aminoisobutyryl-valyl-methyl ester","","- C30 H53 N5 O8 -","- C30 H53 N5 O8 -","- C180 H318 N30 O48 -","6","1","","Upadhyayula S. Raghavender; Subrayashastry Aravinda; Narayanaswamy Shamala; Rajkishor Rai; Padmanabhan Balaram","Characterization of Water Wires inside Hydrophobic Tubular Peptide Structures","Journal of the American Chemical Society","2009","131","","15130","15132","10.1021/ja9038906","","","0.71073","MoKα","","0.2226","0.0671","","","0.1446","0.2053","","","","","","0.932","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105170","24.292","0.0013","24.292","0.0013","10.4838","0.0011","90","","90","","120","","5357.7","0.7","293","2","293","2","","","","","","","","4","P 65","P 65","170","Boc-D-Pro-Aib-Val-Aib-Val-OMe","t-Butyloxycarbonyl-D-prolyl-alpha-aminoisobutyryl-valyl -alpha-aminoisobutyryl-valyl-methyl ester","","- C29 H51 N5 O9 -","- C29 H51 N5 O9 -","- C174 H306 N30 O54 -","6","1","","Upadhyayula S. Raghavender; Subrayashastry Aravinda; Narayanaswamy Shamala; Rajkishor Rai; Padmanabhan Balaram","Characterization of Water Wires inside Hydrophobic Tubular Peptide Structures","Journal of the American Chemical Society","2009","131","","15130","15132","10.1021/ja9038906","","","0.71073","MoKα","","0.0715","0.0554","","","0.1546","0.1765","","","","","","0.88","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105171","24.3161","0.0003","24.3161","0.0003","10.4805","0.0001","90","","90","","120","","5366.62","0.11","293","2","293","2","","","","","","","","4","P 65","P 65","170","Boc-D-Pro-Aib-Val-Aib-Val-OMe","t-Butyloxycarbonyl-D-prolyl-alpha-aminoisobutyryl-valyl -alpha-aminoisobutyryl-valyl-methyl ester","","- C29 H51 N5 O8.17 -","- C29 H51 N5 O8.17 -","- C174 H306 N30 O49.02 -","6","1","","Upadhyayula S. Raghavender; Subrayashastry Aravinda; Narayanaswamy Shamala; Rajkishor Rai; Padmanabhan Balaram","Characterization of Water Wires inside Hydrophobic Tubular Peptide Structures","Journal of the American Chemical Society","2009","131","","15130","15132","10.1021/ja9038906","","","1.54178","CuKα","","0.0637","0.0617","","","0.1844","0.1855","","","","","","1.039","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105172","16.996","0.005","12.515","0.005","16.344","0.005","90","0.005","100.107","0.005","90","0.005","3423","2","297","2","297","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C152 H160 N16 O8 S8 -","8","2","","Nan Li; Xiao-Hua Chen; Jin Song; Shi-Wei Luo; Wu Fan; Liu-Zhu Gong","Highly Enantioselective Organocatalytic Biginelli and Biginelli-Like Condensations: Reversal of the Stereochemistry by Tuning the 3,3'-Disubstituents of Phosphoric Acids","Journal of the American Chemical Society","2009","131","","15301","15310","10.1021/ja905320q","","","1.54184","CuKα","","0.0436","0.0401","","","0.0741","0.0756","","","","","","0.999","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105173","12.782","0.005","11.75","0.005","13.392","0.005","90","0.005","98.644","0.005","90","0.005","1988.5","1.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Br N2 S -","- C20 H21 Br N2 S -","- C80 H84 Br4 N8 S4 -","4","2","","Nan Li; Xiao-Hua Chen; Jin Song; Shi-Wei Luo; Wu Fan; Liu-Zhu Gong","Highly Enantioselective Organocatalytic Biginelli and Biginelli-Like Condensations: Reversal of the Stereochemistry by Tuning the 3,3'-Disubstituents of Phosphoric Acids","Journal of the American Chemical Society","2009","131","","15301","15310","10.1021/ja905320q","","","1.54184","CuKα","","0.0593","0.0353","","","0.0624","0.0676","","","","","","1.006","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105174","8.328","0.002","10.116","0.003","7.2451","0.0019","90","","91.338","0.004","90","","610.2","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 Ba O6 -","- C4 H4 Ba O6 -","- C16 H16 Ba4 O24 -","4","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0341","0.0326","","","0.0819","0.0831","","","","","","1.074","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105175","10.8268","0.0007","9.9887","0.0007","8.525","0.0006","90","","126.588","0.001","90","","740.27","0.09","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 Ba O7 -","- C4 H6 Ba O7 -","- C16 H24 Ba4 O28 -","4","0.5","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0216","0.0214","","","0.0508","0.0508","","","","","","1.045","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105176","17.593","0.006","7.906","0.003","9.462","0.003","90","","121.066","0.005","90","","1127.3","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Ca O6 -","- C4 H4 Ca O6 -","- C32 H32 Ca8 O48 -","8","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.041","0.0344","","","0.0822","0.0872","","","","","","1.061","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105177","6.2584","0.0015","8.251","0.002","10.448","0.003","94.887","0.006","105.914","0.006","107.662","0.005","486","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H12 Ca O10 -","- C4 H12 Ca O10 -","- C8 H24 Ca2 O20 -","2","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0746","0.0517","","","0.1211","0.1284","","","","","","1.015","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105178","7.6418","0.001","9.9656","0.0013","7.2395","0.0009","90","","90","","90","","551.33","0.12","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C4 H4 Ca O6 -","- C4 H4 Ca O6 -","- C16 H16 Ca4 O24 -","4","0.5","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0477","0.0468","","","0.1201","0.1213","","","","","","1.063","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105179","6.4031","0.0006","8.4315","0.0008","10.4933","0.001","95.196","0.002","106.402","0.002","107.052","0.002","510.2","0.08","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H12 O10 Sr -","- C4 H12 O10 Sr -","- C8 H24 O20 Sr2 -","2","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0384","0.0302","","","0.068","0.0705","","","","","","1.03","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105180","6.482","0.0007","7.977","0.0008","16.6234","0.0017","90","","95.501","0.002","90","","855.59","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Ba O8 -","- C4 H8 Ba O8 -","- C16 H32 Ba4 O32 -","4","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0419","0.0336","","","0.085","0.0904","","","","","","1.096","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105181","18.7973","0.0016","5.1127","0.0004","18.5512","0.0016","90","","104.305","0.002","90","","1727.6","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H9 Ba O8.5 -","- C4 H9 Ba O8.5 -","- C32 H72 Ba8 O68 -","8","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0588","0.0375","","","0.0678","0.072","","","","","","1.037","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4105182","6.6143","0.0005","7.1191","0.0005","7.8433","0.0006","90","","98.334","0.002","90","","365.42","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H6 O7 Sr -","- C4 H6 O7 Sr -","- C8 H12 O14 Sr2 -","2","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.057","0.0554","","","0.137","0.1392","","","","","","1.069","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105183","18.306","0.003","8.0984","0.0013","9.6058","0.0015","90","","121.334","0.003","90","","1216.4","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 O6 Sr -","- C4 H4 O6 Sr -","- C32 H32 O48 Sr8 -","8","1","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0786","0.0455","","","0.094","0.1081","","","","","","1.045","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105184","7.8865","0.001","10.0448","0.001","7.5186","0.0008","90","","90","","90","","595.61","0.12","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C4 H4 O6 Sr -","- C4 H4 O6 Sr -","- C16 H16 O24 Sr4 -","4","0.5","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0274","0.0265","","","0.0677","0.0683","","","","","","1.087","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105185","13.8313","0.0007","14.4109","0.0007","22.1159","0.001","90","","91.609","0.001","90","","4406.4","0.4","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ar[tBu]N)3Mo(N=c(NMe2)(SPh))","","","- C45 H65 Mo N5 S -","- C45 H65 Mo N5 S -","- C180 H260 Mo4 N20 S4 -","4","1","","Meaghan E. Germain; Manuel Temprado; Annie Castonguay; Olga P. Kryatova; Elena V. Rybak-Akimova; John J. Curley; Arjun Mendiratta; Yi-Chou Tsai; Christopher C. Cummins; Rajeev Prabhakar; James E. McDonough; Carl D. Hoff","Coordination-Mode Control of Bound Nitrile Radical Complex Reactivity: Intercepting End-on Nitrile-Mo(III) Radicals at Low Temperature","Journal of the American Chemical Society","2009","131","","15412","15423","10.1021/ja905849a","","","0.71073","MoKα","","0.0448","0.0356","","","0.0878","0.0936","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105186","21.7964","0.0002","13.1712","0.0002","25.5387","0.0003","90","","113.759","0.0005","90","","6710.37","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 B F26 P2 Rh -","- C62 H70 B F26 P2 Rh -","- C248 H280 B4 F104 P8 Rh4 -","4","1","","Thomas M. Douglas; Adrian B. Chaplin; Andrew S. Weller; Xinzheng Yang; Michael B. Hall","Monomeric and Oligomeric Amine-Borane σ-Complexes of Rhodium. Intermediates in the Catalytic Dehydrogenation of Amine-Boranes","Journal of the American Chemical Society","2009","131","","15440","15456","10.1021/ja906070r","","","0.71073","MoKα","","0.1291","0.0906","","","0.2499","0.2825","","","","","","1.023","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105187","50.6131","0.0004","19.6787","0.0002","14.3994","0.0001","90","","90","","90","","14341.8","0.2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C60 H84 B3 F24 N2 P2 Rh -","- C60 H84 B3 F24 N2 P2 Rh -","- C480 H672 B24 F192 N16 P16 Rh8 -","8","2","","Thomas M. Douglas; Adrian B. Chaplin; Andrew S. Weller; Xinzheng Yang; Michael B. Hall","Monomeric and Oligomeric Amine-Borane σ-Complexes of Rhodium. Intermediates in the Catalytic Dehydrogenation of Amine-Boranes","Journal of the American Chemical Society","2009","131","","15440","15456","10.1021/ja906070r","","","0.71073","MoKα","","0.0718","0.0563","","","0.1357","0.1465","","","","","","1.076","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105188","11.5072","0.0006","16.0988","0.0008","17.1281","0.0008","76.541","0.003","72.712","0.003","77.066","0.004","2905.3","0.3","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C120 H85 F36 N12 O18.5 -","- C120 H84 F22.8 N12 O18.5 -","- C120 H84 F22.8 N12 O18.5 -","1","1","","Sylvain Koeller; Joji Kadota; Alain Deffieux; Frédéric Peruch; Stéphane Massip; Jean-Michel Léger; Jean-Pierre Desvergne; Brigitte Bibal","Ring-Opening Polymerization of l-Lactide Efficiently Triggered by an Amido-Indole. X-ray Structure of a Complex betweenl-Lactide and the Hydrogen-Bonding Organocatalyst","Journal of the American Chemical Society","2009","131","","15088","15089","10.1021/ja906119t","","","1.5418","CuKα","","0.2294","0.1435","","","0.37","0.4685","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105189","6.0401","0.0006","16.3369","0.0017","16.3744","0.0017","62.3777","0.0013","88.881","0.0014","84.8132","0.0014","1425.3","0.3","148","2","148","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","2","","Matthew S. Dowling; Christopher D. Vanderwal","Ring-Closing Metathesis of Allylsilanes/Electrophilic Desilylation To Prepareexo-Methylidenecycloalkanes. Short Syntheses of Teucladiol and Poitediol","Journal of the American Chemical Society","2009","131","","15090","15091","10.1021/ja906241w","","","0.71073","MoKα","","0.0749","0.0472","","","0.103","0.1145","","","","","","1.037","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105190","11.2195","0.0008","33.928","0.002","16.4312","0.0011","90","","107.115","0.005","90","","5977.6","0.7","248","2","248","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H14 Cl F30 O4.5 S2 -","- C66.5 H13 Cl F30 O4.5 S1.999 -","- C266 H52 Cl4 F120 O18 S7.996 -","4","1","","J. Sreedhar Reddy; Venkataramanarao G. Anand","Aromatic Expanded Isophlorins: Stable 30π Annulene Analogues with Diverse Structural Features","Journal of the American Chemical Society","2009","131","","15433","15439","10.1021/ja906290d","","","0.71073","MoKα","","0.1374","0.0973","","","0.2476","0.2821","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105191","24.7594","0.0008","7.9014","0.0003","21.7277","0.0006","90","","90","","90","","4250.7","0.2","173","2","173","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C66 H22 F30 O8 S3 -","- C66 H12 F30 O8.004 S3 -","- C132 H24 F60 O16.008 S6 -","2","0.25","","J. Sreedhar Reddy; Venkataramanarao G. Anand","Aromatic Expanded Isophlorins: Stable 30π Annulene Analogues with Diverse Structural Features","Journal of the American Chemical Society","2009","131","","15433","15439","10.1021/ja906290d","","","0.71073","MoKα","","0.1582","0.1161","","","0.2816","0.3325","","","","","","1.383","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105192","9.7036","0.0004","12.8407","0.0005","15.7989","0.0006","101.927","0.002","92.695","0.002","94.785","0.002","1915.18","0.13","248","2","248","2","","","","","","","","6","P 1","P 1","1","","","","- C70 H16 Cl12 F30 S3 Se3 -","- C70 H16 Cl12 F30 S3 Se3 -","- C70 H16 Cl12 F30 S3 Se3 -","1","1","","J. Sreedhar Reddy; Venkataramanarao G. Anand","Aromatic Expanded Isophlorins: Stable 30π Annulene Analogues with Diverse Structural Features","Journal of the American Chemical Society","2009","131","","15433","15439","10.1021/ja906290d","","","0.71073","MoKα","","0.1058","0.0505","","","0.1238","0.1523","","","","","","1.015","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105193","9.4066","0.001","13.0693","0.0014","15.5194","0.0017","103.922","0.002","90.72","0.002","96.358","0.002","1839","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H16 Cl12 F30 S6 -","- C70.002 H16.002 Cl12 F30 S6 -","- C70.002 H16.002 Cl12 F30 S6 -","1","0.5","","J. Sreedhar Reddy; Venkataramanarao G. Anand","Aromatic Expanded Isophlorins: Stable 30π Annulene Analogues with Diverse Structural Features","Journal of the American Chemical Society","2009","131","","15433","15439","10.1021/ja906290d","","","0.71073","MoKα","","0.0679","0.0544","","","0.1059","0.1134","","","","","","0.809","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105194","9.7879","0.0003","12.8233","0.0004","15.7687","0.0006","102.336","0.002","92.709","0.002","94.913","0.002","1922","0.11","248","2","248","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H16 Cl12 F30 S4 Se2 -","- C70 H16 Cl12 F30 S4 Se2 -","- C70 H16 Cl12 F30 S4 Se2 -","1","0.5","","J. Sreedhar Reddy; Venkataramanarao G. Anand","Aromatic Expanded Isophlorins: Stable 30π Annulene Analogues with Diverse Structural Features","Journal of the American Chemical Society","2009","131","","15433","15439","10.1021/ja906290d","","","0.71073","MoKα","","0.0883","0.0598","","","0.1631","0.1835","","","","","","1.024","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105195","14.7891","0.0015","10.9697","0.0011","13.8057","0.0015","90","","111.807","0.002","90","","2079.5","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C24 H64 As N4 P5 Si4 -","- C24 H64 As0.934 N4 P4.934 Si4 -","- C48 H128 As1.868 N8 P9.868 Si8 -","2","1","","Brandi M. Cossairt; Christopher C. Cummins","Properties and Reactivity Patterns of AsP3: An Experimental and Computational Study of Group 15 Elemental Molecules","Journal of the American Chemical Society","2009","131","","15501","15511","10.1021/ja906294m","","","0.71073","MoKα","","0.0741","0.0513","","","0.1123","0.1258","","","","","","1.032","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105196","22.7716","0.0005","22.7817","0.0004","24.361","0.0008","101.588","0.001","101.552","0.001","113.098","0.001","10828","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","AsP3FeCp*(dppe)","","","- C60 H59 As B Cl0.75 Fe P5 -","- C60.75 H60.5 As B Cl1.5 Fe P5 -","- C486 H484 As8 B8 Cl12 Fe8 P40 -","8","4","","Brandi M. Cossairt; Christopher C. Cummins","Properties and Reactivity Patterns of AsP3: An Experimental and Computational Study of Group 15 Elemental Molecules","Journal of the American Chemical Society","2009","131","","15501","15511","10.1021/ja906294m","","","1.54178","CuKα","","0.0806","0.0668","","","0.1771","0.1871","","","","","","1.052","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105197","12.202","0.002","9.2582","0.0015","17.37","0.003","90","","96.076","0.003","90","","1951.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Br O4 -","- C22 H23 Br O4 -","- C88 H92 Br4 O16 -","4","1","","Dixit Parmar; Lorna A. Duffy; Dhandapani V. Sadasivam; Hiroshi Matsubara; Paul A. Bradley; Robert A. Flowers; David J. Procter","Studies on the Mechanism, Selectivity, and Synthetic Utility of Lactone Reduction Using SmI2 and H2O","Journal of the American Chemical Society","2009","131","","15467","15473","10.1021/ja906396u","","","0.71073","MoKα","","0.0422","0.0312","","","0.0741","0.0784","","","","","","1.021","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105198","34.548","0.002","14.5329","0.001","19.1876","0.0013","90","","78.504","0.002","90","","9440.5","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium tetrahydrofuran Uranium(IV) hexakis(benzyl)","","- C52 H58 K2 O2.5 U -","- C52 H58 K2 O2.5 U -","- C416 H464 K16 O20 U8 -","8","2","","Skye Fortier; Brent C. Melot; Guang Wu; Trevor W. Hayton","Homoleptic Uranium(IV) Alkyl Complexes: Synthesis and Characterization","Journal of the American Chemical Society","2009","131","","15512","15521","10.1021/ja906516e","","","0.71073","MoKα","","0.1429","0.0976","","","0.2363","0.2492","","","","","","1.121","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4105199","10.9396","0.0008","28.544","0.002","32.502","0.002","90","","90","","90","","10149.1","1.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Uranium(IV) pentakis(methylenetrimethylsilane) lithium dodecakis(tert-butoxide) chloride","","- C68 H163 Cl Li14 O12 Si5 U -","- C68 H163 Cl Li14 O12 Si5 U -","- C272 H652 Cl4 Li56 O48 Si20 U4 -","4","1","","Skye Fortier; Brent C. Melot; Guang Wu; Trevor W. Hayton","Homoleptic Uranium(IV) Alkyl Complexes: Synthesis and Characterization","Journal of the American Chemical Society","2009","131","","15512","15521","10.1021/ja906516e","","","0.71073","MoKα","","0.0751","0.0448","","","0.0928","0.1116","","","","","","0.923","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105200","10.4775","0.0013","16.944","0.002","13.7753","0.0017","90","","103.39","0.002","90","","2379.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Lithium tetrakis(tetrahydrofuran) pentakis(neopentyl) uranium(IV)","","- C41 H37 Li O4 U -","- C41 Li O4 U -","- C82 Li2 O8 U2 -","2","0.5","","Skye Fortier; Brent C. Melot; Guang Wu; Trevor W. Hayton","Homoleptic Uranium(IV) Alkyl Complexes: Synthesis and Characterization","Journal of the American Chemical Society","2009","131","","15512","15521","10.1021/ja906516e","","","0.71073","MoKα","","0.0663","0.0534","","","0.1377","0.158","","","","","","1.106","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105201","13.9454","0.0017","15.3124","0.0016","25.567","0.003","90","","90","","90","","5459.5","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Lithium bis(tetramethylethylenediamine) hexamethyl Uranium(IV)","","- C18 H50 Li2 N4 U -","- C18 H38 Li2 N4 U -","- C144 H304 Li16 N32 U8 -","8","1","","Skye Fortier; Brent C. Melot; Guang Wu; Trevor W. Hayton","Homoleptic Uranium(IV) Alkyl Complexes: Synthesis and Characterization","Journal of the American Chemical Society","2009","131","","15512","15521","10.1021/ja906516e","","","0.71073","MoKα","","0.1031","0.0568","","","0.129","0.1528","","","","","","1.075","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105202","16.9278","0.0018","7.4154","0.0008","35.492","0.004","90","","95.125","0.002","90","","4437.4","0.8","203","2","203","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H19 Br I N O4 -","- C20 H19 Br I N O4 -","- C160 H152 Br8 I8 N8 O32 -","8","4","","David B. Guthrie; Steven J. Geib; Dennis P. Curran","Synthesis of Highly Enantioenriched 3,4-Dihydroquinolin-2-ones by 6-Exo-trig Radical Cyclizations of Axially Chiral α-Halo-ortho-alkenyl Anilides","Journal of the American Chemical Society","2009","131","","15492","15500","10.1021/ja9066282","","","0.71073","MoKα","","0.1007","0.0764","","","0.1861","0.1965","","","","","","1.298","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105203","10.5601","0.0018","7.3873","0.0013","14.727","0.003","90","","101.49","0.004","90","","1125.8","0.4","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 Br N O4 -","- C24 H28 Br N O4 -","- C48 H56 Br2 N2 O8 -","2","1","","David B. Guthrie; Steven J. Geib; Dennis P. Curran","Synthesis of Highly Enantioenriched 3,4-Dihydroquinolin-2-ones by 6-Exo-trig Radical Cyclizations of Axially Chiral α-Halo-ortho-alkenyl Anilides","Journal of the American Chemical Society","2009","131","","15492","15500","10.1021/ja9066282","","","0.71073","MoKα","","0.0747","0.05","","","0.1159","0.1338","","","","","","0.823","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105204","12.012","0.003","9.305","0.002","22.056","0.005","90","","101.822","0.005","90","","2412.9","1","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N O5 -","- C27 H33 N O5 -","- C108 H132 N4 O20 -","4","1","","David B. Guthrie; Steven J. Geib; Dennis P. Curran","Synthesis of Highly Enantioenriched 3,4-Dihydroquinolin-2-ones by 6-Exo-trig Radical Cyclizations of Axially Chiral α-Halo-ortho-alkenyl Anilides","Journal of the American Chemical Society","2009","131","","15492","15500","10.1021/ja9066282","","","0.71073","MoKα","","0.1066","0.057","","","0.1323","0.1537","","","","","","0.922","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105205","34.444","0.003","34.444","0.003","46.286","0.006","90","","90","","120","","47556","9","200","2","200","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Na7[(V=O)7Na7(H2O)7(b-CD)2].65H2O (1)","","- C84 H256 Na14 O149 V7 -","- C84 H112 Na7 O84 V7 -","- C756 H1008 Na63 O756 V63 -","9","0.5","","Norihisa Hoshino; Motohiro Nakano; Hiroyuki Nojiri; Wolfgang Wernsdorfer; Hiroki Oshio","Templating Odd Numbered Magnetic Rings: Oxovanadium Heptagons Sandwiched by β-Cyclodextrins","Journal of the American Chemical Society","2009","131","","15100","15101","10.1021/ja9066496","","","0.71073","MoKα","","0.104","0.0709","","","0.1761","0.1912","","","","","","0.924","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105206","21.322","0.008","18.694","0.007","23.798","0.009","90","","100.184","0.006","90","","9336","6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Na7[(V=O)7Na7(H2O)7(b-CD)2].39H2O (2)","","- C84 H204 Na14 O123 V7 -","- C84 H112 Na7 O84 V7 -","- C168 H224 Na14 O168 V14 -","2","1","","Norihisa Hoshino; Motohiro Nakano; Hiroyuki Nojiri; Wolfgang Wernsdorfer; Hiroki Oshio","Templating Odd Numbered Magnetic Rings: Oxovanadium Heptagons Sandwiched by β-Cyclodextrins","Journal of the American Chemical Society","2009","131","","15100","15101","10.1021/ja9066496","","","0.71073","MoKα","","0.1137","0.0772","","","0.1925","0.2067","","","","","","0.883","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105207","12.589","0.002","14.928","0.003","15.567","0.003","90","","90","","90","","2925.5","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H20 N2 S -","- C15 H20 N2 S -","- C120 H160 N16 S8 -","8","1","","Zitao Wang; Yang Wang; Wen-Xiong Zhang; Zhaomin Hou; Zhenfeng Xi","Efficient One-Pot Synthesis of 2,3-Dihydropyrimidinthiones via Multicomponent Coupling of Terminal Alkynes, Elemental Sulfur, and Carbodiimides","Journal of the American Chemical Society","2009","131","","15108","15109","10.1021/ja9069419","","","0.71073","MoKα","","0.0704","0.0379","","","0.0661","0.0713","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105208","23.185","0.007","9.352","0.003","18.826","0.006","90","","121.493","0.018","90","","3481","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H58 Ca O2 Si6 -","- C22 H58 Ca O2 Si6 -","- C88 H232 Ca4 O8 Si24 -","4","0.5","","KaKing Yan; Brianna M. Upton; Arkady Ellern; Aaron D. Sadow","Lewis Acid-Mediated β-Hydride Abstraction Reactions of Divalent M(C(SiHMe2)3)2THF2(M = Ca, Yb)","Journal of the American Chemical Society","2009","131","","15110","15111","10.1021/ja9070865","","","0.71073","MoKα","","0.1185","0.0804","","","0.1921","0.2165","","","","","","1.037","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105209","11.0485","0.0015","23.131","0.003","15.359","0.002","90","","96.616","0.002","90","","3899.1","0.9","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 B Ca F15 O2 Si3 -","- C33 H38 B Ca F15 O2 Si3 -","- C132 H152 B4 Ca4 F60 O8 Si12 -","4","1","","KaKing Yan; Brianna M. Upton; Arkady Ellern; Aaron D. Sadow","Lewis Acid-Mediated β-Hydride Abstraction Reactions of Divalent M(C(SiHMe2)3)2THF2(M = Ca, Yb)","Journal of the American Chemical Society","2009","131","","15110","15111","10.1021/ja9070865","","","0.71073","MoKα","","0.0626","0.0418","","","0.099","0.1093","","","","","","1.013","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105210","8.512","0.007","8.569","0.007","9.253","0.009","104.555","0.019","91.47","0.02","114.49","0.02","588","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H40 Si6 -","- C14 H40 Si6 -","- C14 H40 Si6 -","1","0.5","","KaKing Yan; Brianna M. Upton; Arkady Ellern; Aaron D. Sadow","Lewis Acid-Mediated β-Hydride Abstraction Reactions of Divalent M(C(SiHMe2)3)2THF2(M = Ca, Yb)","Journal of the American Chemical Society","2009","131","","15110","15111","10.1021/ja9070865","","","0.71073","MoKα","","0.1016","0.0771","","","0.1992","0.2429","","","","","","1.034","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105211","22.792","0.012","9.284","0.004","18.655","0.01","90","","121.189","0.016","90","","3377","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H58 O2 Si6 Yb -","- C22 H58 O2 Si6 Yb -","- C88 H232 O8 Si24 Yb4 -","4","0.5","","KaKing Yan; Brianna M. Upton; Arkady Ellern; Aaron D. Sadow","Lewis Acid-Mediated β-Hydride Abstraction Reactions of Divalent M(C(SiHMe2)3)2THF2(M = Ca, Yb)","Journal of the American Chemical Society","2009","131","","15110","15111","10.1021/ja9070865","","","0.71073","MoKα","","0.048","0.0329","","","0.0627","0.0684","","","","","","1.029","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105212","10.2093","0.0008","15.3491","0.0012","24.6786","0.0019","90","","90","","90","","3867.2","0.5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Yb(HBPh3)2THF","bis(hydridotriphenylborato)tetrahydrofuran ytterbium(II)","","- C47 H48 B2 O Yb -","- C47 H48 B2 O Yb -","- C188 H192 B8 O4 Yb4 -","4","1","","KaKing Yan; Brianna M. Upton; Arkady Ellern; Aaron D. Sadow","Lewis Acid-Mediated β-Hydride Abstraction Reactions of Divalent M(C(SiHMe2)3)2THF2(M = Ca, Yb)","Journal of the American Chemical Society","2009","131","","15110","15111","10.1021/ja9070865","","","0.71073","MoKα","","0.0279","0.024","","","0.0544","0.0559","","","","","","1.006","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105213","11.0583","0.0007","23.1942","0.0014","15.371","0.0009","90","","97.032","0.001","90","","3912.8","0.4","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 B F15 O2 Si3 Yb -","- C33 H38 B F15 O2 Si3 Yb -","- C132 H152 B4 F60 O8 Si12 Yb4 -","4","1","","KaKing Yan; Brianna M. Upton; Arkady Ellern; Aaron D. Sadow","Lewis Acid-Mediated β-Hydride Abstraction Reactions of Divalent M(C(SiHMe2)3)2THF2(M = Ca, Yb)","Journal of the American Chemical Society","2009","131","","15110","15111","10.1021/ja9070865","","","0.71073","MoKα","","0.0262","0.0215","","","0.0526","0.0549","","","","","","1.032","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105214","9.98","0.0004","21.6272","0.0007","17.1","0.0007","90","","90.7161","0.0013","90","","3690.6","0.2","123","2","123","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","tetraallyl-C60","","","- C72 H20 -","- C72 H20 -","- C288 H80 -","4","1","","Masakazu Nambo; Atsushi Wakamiya; Shigehiro Yamaguchi; Kenichiro Itami","Regioselective Unsymmetrical Tetraallylation of C60 through Palladium Catalysis","Journal of the American Chemical Society","2009","131","","15112","15113","10.1021/ja9071173","","","0.71069","MoKa","","0.1915","0.095","","","0.23","0.2943","","","","","","1.024","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105215","16.505","0.005","10.134","0.003","20.035","0.006","90","","109.164","0.004","90","","3165.4","1.6","123","2","123","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,2-diallyl-C60","","","- C66 H10 -","- C66 H10 -","- C264 H40 -","4","1","","Masakazu Nambo; Atsushi Wakamiya; Shigehiro Yamaguchi; Kenichiro Itami","Regioselective Unsymmetrical Tetraallylation of C60 through Palladium Catalysis","Journal of the American Chemical Society","2009","131","","15112","15113","10.1021/ja9071173","","","0.7107","MoKa","","0.1484","0.1226","","","0.344","0.363","","","","","","1.318","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105216","12.0154","0.0013","10.6506","0.0011","13.5976","0.0014","90","","94.059","0.002","90","","1735.7","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H44 Cl2 N2 Ru -","- C37 H46 Cl2 N2 Ru -","- C74 H92 Cl4 N4 Ru2 -","2","1","","Kung-Pern Wang; Sang Young Yun; Daesung Lee; Donald J. Wink","Structure and Reactivity of Alkyne-Chelated Ruthenium Alkylidene Complexes","Journal of the American Chemical Society","2009","131","","15114","15115","10.1021/ja907155r","","","0.71073","MoKα","","0.0475","0.0379","","","0.0762","0.0798","","","","","","1.005","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105217","8.4902","0.0005","11.6888","0.0009","7.6132","0.0005","90","","90","","90","","755.54","0.09","296","2","296","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- Cs2 K O14 Si4 U2 -","- Cs2 K O14 Si4 U2 -","- Cs4 K2 O28 Si8 U4 -","2","0.125","","Cheng-Shiuan Lee; Sue-Lein Wang; Kwang-Hwa Lii","Cs2K(UO)2Si4O12: A Mixed-Valence Uranium(IV,V) Silicate","Journal of the American Chemical Society","2009","131","","15116","15117","10.1021/ja9071805","","","0.71073","MoKα","","0.0142","0.0138","","","0.0345","0.0347","","","","","","1.195","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105218","11.022","0.007","18.809","0.013","11.102","0.008","90","","109.586","0.011","90","","2168","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Br N2 O P -","- C24 H23 Br N2 O P -","- C96 H92 Br4 N8 O4 P4 -","4","1","","Joshua P. Abell; Hisashi Yamamoto","Dual-Activation Asymmetric Strecker Reaction of Aldimines and Ketimines Catalyzed by a Tethered Bis(8-quinolinolato) Aluminum Complex","Journal of the American Chemical Society","2009","131","","15118","15119","10.1021/ja907268g","","","0.71073","MoKα","","0.0949","0.0723","","","0.1349","0.1408","","","","","","1.165","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105219","19.943","0.006","19.943","0.006","10.142","0.004","90","","90","","120","","3493","2","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C23 H23 Br N2 O P -","- C23 H23 Br N2 O P -","- C138 H138 Br6 N12 O6 P6 -","6","1","","Joshua P. Abell; Hisashi Yamamoto","Dual-Activation Asymmetric Strecker Reaction of Aldimines and Ketimines Catalyzed by a Tethered Bis(8-quinolinolato) Aluminum Complex","Journal of the American Chemical Society","2009","131","","15118","15119","10.1021/ja907268g","","","0.71073","MoKα","","0.0702","0.0482","","","0.1082","0.1138","","","","","","0.917","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105220","24.3013","0.0009","24.3013","0.0009","54.57","0.003","90","","90","","90","","32226","2","100","2","100","2","","","","","","","","4","P -4 c 2","P -4 -2c","116","BeBTB","","","- C54 H36 Be6 O18 -","- C54 H36 Be6 O18 -","- C432 H288 Be48 O144 -","8","1","","Kenji Sumida; Matthew R. Hill; Satoshi Horike; Anne Dailly; Jeffrey R. Long","Synthesis and Hydrogen Storage Properties of Be12(OH)12(1,3,5-benzenetribenzoate)4","Journal of the American Chemical Society","2009","131","","15120","15121","10.1021/ja9072707","","","1.54178","CuKα","","0.0363","0.0315","","","0.0849","0.0863","","","","","","0.961","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105221","19.38","0.004","15.591","0.003","14.358","0.003","90","","92.26","0.03","90","","4334.9","1.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H49 F6 N3 O7 S3 -","- C37 H49 F6 N3 O7 S3 -","- C148 H196 F24 N12 O28 S12 -","4","0.5","","Caleb D. Martin; Christine M. Le; Paul J. Ragogna","Remarkably Stable Chalcogen(II) Dications","Journal of the American Chemical Society","2009","131","","15126","15127","10.1021/ja9073968","","","0.71073","MoKα","","0.0818","0.0496","","","0.1137","0.1297","","","","","","1.034","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105222","19.3723","0.0011","15.4754","0.0009","14.5351","0.0007","90","","91.768","0.002","90","","4355.5","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H49 F6 N3 O7 S2 Se -","- C37 H49 F6 N3 O7 S2 Se -","- C148 H196 F24 N12 O28 S8 Se4 -","4","0.5","","Caleb D. Martin; Christine M. Le; Paul J. Ragogna","Remarkably Stable Chalcogen(II) Dications","Journal of the American Chemical Society","2009","131","","15126","15127","10.1021/ja9073968","","","0.71073","MoKα","","0.0537","0.0434","","","0.1088","0.1149","","","","","","1.037","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105223","11.995","0.002","8.2243","0.0016","16.523","0.003","90","","100.76","0.03","90","","1601.3","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H26 F6 N4 O6 S2 Te -","- C27 H26 F6 N4 O6 S2 Te -","- C54 H52 F12 N8 O12 S4 Te2 -","2","1","","Caleb D. Martin; Christine M. Le; Paul J. Ragogna","Remarkably Stable Chalcogen(II) Dications","Journal of the American Chemical Society","2009","131","","15126","15127","10.1021/ja9073968","","","0.71073","MoKα","","0.0452","0.0362","","","0.0871","0.0988","","","","","","1.101","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105224","9.115","0.003","9.932","0.003","12.311","0.004","79.456","0.009","89.201","0.01","63.883","0.009","981","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 O4 S -","- C24 H16 O4 S -","- C48 H32 O8 S2 -","2","1","","Amit Basak; Sanket Das; Dibyendu Mallick; Eluvathingal D. Jemmis","Which One Is Preferred: Myers-Saito Cyclization of Ene-Yne-Allene or Garratt-Braverman Cyclization of Conjugated Bisallenic Sulfone? A Theoretical and Experimental Study","Journal of the American Chemical Society","2009","131","","15695","15704","10.1021/ja9023644","","","0.71073","MoKα","","0.1465","0.0764","","","0.1859","0.2094","","","","","","0.985","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105225","14.311","0.003","18.36","0.004","21.044","0.004","90","","90","","90","","5529","2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H49.25 B3 Cl3.25 N O7 S0.75 -","- C59.203 H49.274 B3 Cl3.274 N O7 S0.783 -","- C236.812 H197.096 B12 Cl13.096 N4 O28 S3.132 -","4","1","","Gang Hu; Li Huang; Rui H. Huang; William D. Wulff","Evidence for a Boroxinate Based Brønsted Acid Derivative of VAPOL as the Active Catalyst in the Catalytic Asymmetric Aziridination Reaction","Journal of the American Chemical Society","2009","131","","15615","15617","10.1021/ja904589k","","","0.71073","MoKα","","0.1545","0.0895","","","0.2242","0.245","","","","","","1.413","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105226","12.865","0.003","17.944","0.004","21.546","0.004","90","","90","","90","","4973.9","1.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H47 B3 Cl2 N2 O7 -","- C60 H47 B3 Cl2 N2 O7 -","- C240 H188 B12 Cl8 N8 O28 -","4","1","","Gang Hu; Li Huang; Rui H. Huang; William D. Wulff","Evidence for a Boroxinate Based Brønsted Acid Derivative of VAPOL as the Active Catalyst in the Catalytic Asymmetric Aziridination Reaction","Journal of the American Chemical Society","2009","131","","15615","15617","10.1021/ja904589k","","","0.71073","MoKα","","0.083","0.0469","","","0.1174","0.1384","","","","","","0.894","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105227","9.1653","0.0011","11.1937","0.0013","14.2705","0.0017","78.851","0.002","89.57","0.002","89.34","0.002","1436.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H41 F6 N O Os P2 -","- C26 H41 F6 N O Os P2 -","- C52 H82 F12 N2 O2 Os2 P4 -","2","1","","Ruth Castro-Rodrigo; Miguel A. Esteruelas; Sara Fuertes; Ana M. López; Fernando López; José L. Mascareñas; Silvia Mozo; Enrique Oñate; Lucía Saya; Lara Villarino","Formation of Osmium- and Ruthenium-Cyclobutylidene Complexes by Ring Expansion of Alkylidenecyclopropanes","Journal of the American Chemical Society","2009","131","","15572","15573","10.1021/ja904893j","","","0.71073","MoKα","","0.0453","0.038","","","0.0759","0.0781","","","","","","1.104","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105228","14.356","0.009","14.579","0.009","30.45","0.018","90","","90","","90","","6373","7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28.2 H42.4 B2 F4 N7 O0.4 Os P -","- C28.2 H42.4 B2 F4 N7 O0.4 Os P -","- C225.6 H339.2 B16 F32 N56 O3.2 Os8 P8 -","8","1","","Ruth Castro-Rodrigo; Miguel A. Esteruelas; Sara Fuertes; Ana M. López; Fernando López; José L. Mascareñas; Silvia Mozo; Enrique Oñate; Lucía Saya; Lara Villarino","Formation of Osmium- and Ruthenium-Cyclobutylidene Complexes by Ring Expansion of Alkylidenecyclopropanes","Journal of the American Chemical Society","2009","131","","15572","15573","10.1021/ja904893j","","","0.71073","MoKα","","0.0833","0.0641","","","0.112","0.1182","","","","","","1.226","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105229","10.4105","0.0005","10.8685","0.0006","16.5368","0.001","77.003","0.003","76.36","0.002","64.354","0.002","1622.99","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H50 Cl N O2 P Rh -","- C34 H50 Cl N O2 P Rh -","- C68 H100 Cl2 N2 O4 P2 Rh2 -","2","1","","Derek M. Dalton; Kevin M. Oberg; Robert T. Yu; Ernest E. Lee; Stéphane Perreault; Mark Emil Oinen; Melissa L. Pease; Guillaume Malik; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2 + 2 + 2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity","Journal of the American Chemical Society","2009","131","","15717","15728","10.1021/ja905065j","","","0.71073","MoKα","","0.041","0.0336","","","0.0761","0.0792","","","","","","1.104","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105230","11.2417","0.0005","14.6792","0.0006","21.3614","0.0009","90","","90","","90","","3525","0.3","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Cl N O2 P Rh Si2 -","- C36 H46 Cl N O2 P Rh Si2 -","- C144 H184 Cl4 N4 O8 P4 Rh4 Si8 -","4","1","","Derek M. Dalton; Kevin M. Oberg; Robert T. Yu; Ernest E. Lee; Stéphane Perreault; Mark Emil Oinen; Melissa L. Pease; Guillaume Malik; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2 + 2 + 2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity","Journal of the American Chemical Society","2009","131","","15717","15728","10.1021/ja905065j","","","0.71073","MoKα","","0","0.0453","","","0.0863","0.1035","","","","","","0.996","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105231","10.8877","0.0003","18.0279","0.0005","11.1484","0.0003","90","","91.924","0.001","90","","2187","0.1","120","","120","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H50 Cl5 N O4 P Rh -","- C43 H50 Cl5 N O4 P Rh -","- C86 H100 Cl10 N2 O8 P2 Rh2 -","2","1","","Derek M. Dalton; Kevin M. Oberg; Robert T. Yu; Ernest E. Lee; Stéphane Perreault; Mark Emil Oinen; Melissa L. Pease; Guillaume Malik; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2 + 2 + 2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity","Journal of the American Chemical Society","2009","131","","15717","15728","10.1021/ja905065j","","","0.71073","MoKα","","0.0786","0.0511","","","0.1067","0.1195","","","","","","1.005","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105232","15.3754","0.0004","17.3853","0.0004","18.1214","0.0004","90","","90","","90","","4844","0.2","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H64 Cl N O4 P Rh -","- C51 H64 Cl N O4 P Rh -","- C204 H256 Cl4 N4 O16 P4 Rh4 -","4","1","","Derek M. Dalton; Kevin M. Oberg; Robert T. Yu; Ernest E. Lee; Stéphane Perreault; Mark Emil Oinen; Melissa L. Pease; Guillaume Malik; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2 + 2 + 2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity","Journal of the American Chemical Society","2009","131","","15717","15728","10.1021/ja905065j","","","0.71073","MoKα","","0.0916","0.0532","","","0.1025","0.1183","","","","","","1.006","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105233","10.8926","0.0007","18.1189","0.0011","11.223","0.0007","90","","91.835","0.003","90","","2213.9","0.2","120","","120","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H52 Cl5 N O4 P Rh -","- C45 H52 Cl5 N O4 P Rh -","- C90 H104 Cl10 N2 O8 P2 Rh2 -","2","1","","Derek M. Dalton; Kevin M. Oberg; Robert T. Yu; Ernest E. Lee; Stéphane Perreault; Mark Emil Oinen; Melissa L. Pease; Guillaume Malik; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2 + 2 + 2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity","Journal of the American Chemical Society","2009","131","","15717","15728","10.1021/ja905065j","","","0.71073","MoKα","","0.0246","0.0232","","","0.0574","0.0581","","","","","","1.018","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105234","16.861","0.003","10.925","0.002","23.401","0.005","90","","110.76","0.03","90","","4030.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H61 P Si6 Zr -","- C31 H61 P Si6 Zr -","- C124 H244 P4 Si24 Zr4 -","4","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.0787","0.0634","","","0.2189","0.2438","","","","","","0.994","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105235","11.365","0.002","15.798","0.003","17.117","0.003","90","","90","","90","","3073.3","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H47 P Si5 Zr -","- C22 H47 P Si5 Zr -","- C88 H188 P4 Si20 Zr4 -","4","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.1111","0.0646","","","0.1102","0.1255","","","","","","0.889","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105236","9.878","0.002","10.085","0.002","16.779","0.003","90.47","0.03","90.22","0.03","117.42","0.03","1483.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H46 Si6 Ti -","- C22 H46 Si6 Ti -","- C44 H92 Si12 Ti2 -","2","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.17","0.0984","","","0.2191","0.2586","","","","","","1.014","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105237","16.908","0.003","10.926","0.002","23.415","0.005","90","","110.94","0.03","90","","4039.9","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H63 Ge2 Hf P Si4 -","- C32 H63 Ge2 Hf P Si4 -","- C128 H252 Ge8 Hf4 P4 Si16 -","4","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.0578","0.0452","","","0.0901","0.0947","","","","","","1.073","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105238","11.461","0.002","11.77","0.002","13.139","0.003","84","0.03","84.43","0.03","86.36","0.03","1751.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H55 Ge2 P Si4 Zr -","- C25 H55 Ge2 P Si4 Zr -","- C50 H110 Ge4 P2 Si8 Zr2 -","2","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.1","0.0712","","","0.1462","0.1606","","","","","","1.026","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105239","10.982","0.002","11.835","0.002","17.5","0.004","86.81","0.03","87.77","0.03","75.29","0.03","2195.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H64 Hf Si6 Sn3 -","- C28 H64 Hf Si6 Sn3 -","- C56 H128 Hf2 Si12 Sn6 -","2","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.08","0.0701","","","0.2179","0.2332","","","","","","1.109","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105240","10.916","0.002","11.849","0.002","17.496","0.003","87.04","0.03","87.75","0.03","76.3","0.03","2194.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H64 Si6 Sn3 Zr -","- C28 H64 Si6 Sn3 Zr -","- C56 H128 Si12 Sn6 Zr2 -","2","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.1202","0.0885","","","0.1501","0.1621","","","","","","1.204","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105241","16.865","0.003","10.921","0.002","23.394","0.005","90","","110.88","0.03","90","","4025.8","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H63 Ge Hf P Si5 -","- C32 H63 Ge Hf P Si5 -","- C128 H252 Ge4 Hf4 P4 Si20 -","4","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.0526","0.044","","","0.0939","0.0975","","","","","","1.144","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105242","19.289","0.004","12.751","0.003","10.29","0.002","90","","117.74","0.03","90","","2240","1","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H72 Ge4 Si8 -","- C24 H72 Ge4 Si8 -","- C48 H144 Ge8 Si16 -","2","0.5","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.0631","0.0527","","","0.1166","0.1235","","","","","","1.059","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105243","15.508","0.0004","16.1827","0.0005","16.3415","0.0006","90.5519","0.0011","99.3054","0.0011","103.893","0.0016","3923.7","0.2","130","2","130","2","","","","","","","","8","P -1","-P 1","2","ML097_3","ML097_3","","- C134 H209 F24 N12 O4.5 P4 Pd6 Tl4 -","- C134 H209 F24 N12 O4.5 P4 Pd6 Tl4 -","- C134 H209 F24 N12 O4.5 P4 Pd6 Tl4 -","1","0.5","","Michael P. Lanci; Matthew S. Remy; Werner Kaminsky; James M. Mayer; Melanie S. Sanford","Oxidatively Induced Reductive Elimination from (tBu2bpy)Pd(Me)2: Palladium(IV) Intermediates in a One-Electron Oxidation Reaction","Journal of the American Chemical Society","2009","131","","15618","15620","10.1021/ja905816q","","","0.71073","MoKα","","0.1167","0.0549","","","0.1133","0.135","","","","","","0.96","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105244","14.0829","0.0003","14.0829","0.0003","5.9129","0.0003","90","","90","","120","","1015.58","0.06","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 31","P 31","144","","","","- C16 H15 Cl O -","- C16 H15 Cl O -","- C48 H45 Cl3 O3 -","3","1","","Lucie E. Zimmer; André B. Charette","Enantioselective Synthesis of 1,2,3-Trisubstituted Cyclopropanes Usinggem-Dizinc Reagents","Journal of the American Chemical Society","2009","131","","15624","15626","10.1021/ja906033g","","","1.54178","CuKα","","0.0605","0.0597","","","0.1567","0.1574","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105245","3.769","0.0005","18.064","0.002","9.6698","0.0013","90","","99.88","0.01","90","","648.59","0.14","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,8-Di(4-pyridyl)-1,3,5,7-octatetrayne","","- C18 H8 N2 -","- C18 H8 N2 -","- C36 H16 N4 -","2","0.5","","Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce; Santiago Martín; Richard J. Nichols; Simon J. Higgins; Víctor M. García-Suárez; Colin J. Lambert","Oligoyne Single Molecule Wires","Journal of the American Chemical Society","2009","131","","15647","15654","10.1021/ja9061129","","","0.71073","MoKα","","0.0647","0.0448","","","0.108","0.1172","","","","","","1.044","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105246","6.2122","0.0004","12.8417","0.0009","12.9157","0.0009","84.887","0.003","79.116","0.003","80.662","0.003","996.59","0.12","203","","","","","","","","","","Carreira laboratory","4","P -1","-P 1","2","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","2","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0871","0.0523","","","0.1355","0.1659","","","","","","0.904","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105247","16.4","0.002","5.6769","0.0008","10.0838","0.0013","90","","104.045","0.009","90","","910.7","0.2","22","","","","","","","","","","Carreira laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.094","0.0548","","","0.1511","0.1848","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105248","16.226","0.0011","7.1681","0.0004","8.4596","0.0004","90","","90.878","0.002","90","","983.82","0.1","203","","","","","","","","","","LOC ETH Zurich","4","P 1 21/c 1","-P 2ybc","14","","3,4,5-trichlorohexane-1,2-diol","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0811","0.0709","","","0.1776","0.1915","","","","","","1.387","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105249","5.8807","0.0001","15.3856","0.0004","10.3567","0.0003","90","","92.8583","0.0009","90","","935.89","0.04","223","","","","","","","","","","LOC ETH Zurich","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0349","0.0313","","","0.1006","0.1078","","","","","","0.896","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105250","5.9791","0.0002","9.9546","0.0004","15.7432","0.0006","90","","90","","90","","937.03","0.06","173","","","","","","","","","","LOC ETH Zurich","4","P 21 21 21","P 2ac 2ab","19","","(2R,3S,4R,5R)-2,4,5-trichlorohexane-1,3-diol","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0434","0.0389","","","0.1049","0.1124","","","","","","0.812","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105251","19.6489","0.0006","5.0979","0.0002","20.4002","0.0006","90","","111.962","0.002","90","","1895.16","0.11","223","","","","","","","","","","LOC ETH Zurich","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C48 H88 Cl24 O16 -","8","2","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0789","0.0597","","","0.1502","0.1751","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105252","10.0179","0.0003","10.8181","0.0003","17.9104","0.0005","90","","90","","90","","1941.03","0.1","203","","","","","","","","","","LOC ETH Zurich","4","P b n a","-P 2ac 2b","60","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C48 H88 Cl24 O16 -","8","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0392","0.0336","","","0.1174","0.1248","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105253","8.0208","0.0008","6.0426","0.0006","9.7977","0.001","90","","95.619","0.005","90","","472.58","0.08","293","","","","","","","","","","LOC ETH Zurich, CN796_2_1_1","4","P 1 21 1","P 2yb","4","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C12 H22 Cl6 O4 -","2","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0912","0.0641","","","0.1589","0.1833","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105254","12.7354","0.0004","8.1967","0.0003","10.1268","0.0003","90","","109.523","0.002","90","","996.34","0.06","223","","","","","","","","","","LOC ETH Zurich","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0436","0.0396","","","0.1466","0.1527","","","","","","1.253","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105255","12.7131","0.0005","5.0275","0.0002","15.2227","0.0006","90","","109.055","0.002","90","","919.65","0.06","223","","","","","","","","","","LOC ETH Zurich","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0532","0.0372","","","0.1108","0.1424","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105256","15.9264","0.0008","6.2254","0.0003","9.5377","0.0004","90","","104.182","0.002","90","","916.82","0.07","223","","","","","","","","","","LOC ETH Zurich","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.1095","0.1015","","","0.2943","0.2983","","","","","","2.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105257","8.509","0.0006","13.1425","0.0007","9.904","0.0006","90","","92.759","0.008","90","","1106.28","0.12","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","","Ron Siewertsen; Hendrikje Neumann; Bengt Buchheim-Stehn; Rainer Herges; Christian Näther; Falk Renth; Friedrich Temps","Highly Efficient Reversible Z-E Photoisomerization of a Bridged Azobenzene with Visible Light through Resolved S1(nπ*) Absorption Bands","Journal of the American Chemical Society","2009","131","","15594","15595","10.1021/ja906547d","","","0.71073","MoKα","","0.0682","0.0481","","","0.1251","0.1372","","","","","","1.048","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105258","19.115","0.002","13.0015","0.0014","19.112","0.002","90","","113.704","0.005","90","","4349.1","0.8","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chlorido{2,6-bis[1-(2,6-diisopropylphenylimino-κ<i>N</i>)ethyl]pyridine- κ<i>N</i>(.1-)}nickel(II)‒toluene (1/2)","","- C47 H59 Cl N3 Ni -","- C47 H59 Cl N3 Ni -","- C188 H236 Cl4 N12 Ni4 -","4","1","","Tony D. Manuel; Jan-Uwe Rohde","Reaction of a Redox-Active Ligand Complex of Nickel with Dioxygen Probes Ligand-Radical Character","Journal of the American Chemical Society","2009","131","","15582","15583","10.1021/ja9065943","","","0.71073","MoKα","","0.1343","0.0577","","","0.1296","0.1679","","","","","","1","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105259","14.1976","0.0015","15.7496","0.0017","16.8785","0.0018","90","","107.454","0.005","90","","3600.4","0.7","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido{6-[1-(2,6-diisopropylphenylimino-κ<i>N</i>)ethyl]pyridyl- κ<i>N</i>-2-<i>N</i>-(2,6-diisopropylphenyl)carboxamidato- κ<i>N</i>}nickel(II)‒nitromethane (1/2)","","- C34 H46 Cl N5 Ni O5 -","- C34 H46 Cl N5 Ni O5 -","- C136 H184 Cl4 N20 Ni4 O20 -","4","1","","Tony D. Manuel; Jan-Uwe Rohde","Reaction of a Redox-Active Ligand Complex of Nickel with Dioxygen Probes Ligand-Radical Character","Journal of the American Chemical Society","2009","131","","15582","15583","10.1021/ja9065943","","","0.71073","MoKα","","0.0637","0.0403","","","0.0904","0.1029","","","","","","1.028","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105260","34.1837","0.0003","34.1837","0.0003","34.1837","0.0003","90","","90","","90","","39944.5","0.6","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C36 H88 Ge12 Nd8 O68 -","- C36 Ge12 Nd8 O54.98 -","- C576 Ge192 Nd128 O879.68 -","16","0.333333","","Huan He; Gao-Juan Cao; Shou-Tian Zheng; Guo-Yu Yang","Lanthanide Germanate Cluster Organic Frameworks Constructed from {Ln8Ge12} or {Ln11Ge12} Cage Cluster Building Blocks","Journal of the American Chemical Society","2009","131","","15588","15589","10.1021/ja906735v","","","0.71073","MoKα","","0.0556","0.0513","","","0.1438","0.1471","","","","","","1.093","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105261","32.2786","0.0011","32.2786","0.0011","32.2786","0.0011","90","","90","","90","","33631","2","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C72 H132 Cl Ge12 N6 O91 Pr11 -","- C72 Cl0.99 Ge12 N6 O74 Pr11 -","- C576 Cl7.92 Ge96 N48 O592 Pr88 -","8","0.166667","","Huan He; Gao-Juan Cao; Shou-Tian Zheng; Guo-Yu Yang","Lanthanide Germanate Cluster Organic Frameworks Constructed from {Ln8Ge12} or {Ln11Ge12} Cage Cluster Building Blocks","Journal of the American Chemical Society","2009","131","","15588","15589","10.1021/ja906735v","","","0.71073","MoKα","","0.0568","0.056","","","0.1504","0.1509","","","","","","1.096","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105262","32.1918","0.0002","32.1918","0.0002","32.1918","0.0002","90","","90","","90","","33360.7","0.4","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C72 H132 Cl Ge12 N6 Nd11 O91 -","- C72 Cl0.99 Ge12 N6 Nd11 O72.98 -","- C576 Cl7.92 Ge96 N48 Nd88 O583.84 -","8","0.166667","","Huan He; Gao-Juan Cao; Shou-Tian Zheng; Guo-Yu Yang","Lanthanide Germanate Cluster Organic Frameworks Constructed from {Ln8Ge12} or {Ln11Ge12} Cage Cluster Building Blocks","Journal of the American Chemical Society","2009","131","","15588","15589","10.1021/ja906735v","","","0.71073","MoKα","","0.0665","0.0663","","","0.1629","0.1637","","","","","","1.096","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105263","32.0221","0.0011","32.0221","0.0011","32.0221","0.0011","90","","90","","90","","32836","2","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C72 H124 Cl Eu11 Ge12 N6 O87 -","- C72 Eu11 Ge12 N6 O70.04 -","- C576 Eu88 Ge96 N48 O560.32 -","8","0.166667","","Huan He; Gao-Juan Cao; Shou-Tian Zheng; Guo-Yu Yang","Lanthanide Germanate Cluster Organic Frameworks Constructed from {Ln8Ge12} or {Ln11Ge12} Cage Cluster Building Blocks","Journal of the American Chemical Society","2009","131","","15588","15589","10.1021/ja906735v","","","0.71073","MoKα","","0.056","0.0516","","","0.1467","0.1648","","","","","","1.091","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105264","32.0142","0.0004","32.0142","0.0004","32.0142","0.0004","90","","90","","90","","32811.6","0.7","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C72 H122 Cl Gd11 Ge12 N6 O86 -","- C72 Gd11 Ge12 N6 O69.98 -","- C576 Gd88 Ge96 N48 O559.84 -","8","0.166667","","Huan He; Gao-Juan Cao; Shou-Tian Zheng; Guo-Yu Yang","Lanthanide Germanate Cluster Organic Frameworks Constructed from {Ln8Ge12} or {Ln11Ge12} Cage Cluster Building Blocks","Journal of the American Chemical Society","2009","131","","15588","15589","10.1021/ja906735v","","","0.71073","MoKα","","0.0578","0.0577","","","0.1531","0.1533","","","","","","1.066","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105265","10.154","0.002","11.161","0.002","19.7","0.004","90","","90","","90","","2232.6","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C96 H108 N4 O24 -","4","1","","K. C. Nicolaou; G. Scott Tria; David J. Edmonds; Moumita Kar","Total Syntheses of (\±)-Platencin and (-)-Platencin","Journal of the American Chemical Society","2009","131","","15909","15917","10.1021/ja906801g","","","0.71073","MoKα","","0.095","0.0696","","","0.1569","0.169","","","","","","1.092","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105266","6.0634","0.0012","11.813","0.002","16.238","0.003","90","","90","","90","","1163.1","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O2 -","- C13 H20 O2 -","- C52 H80 O8 -","4","1","","K. C. Nicolaou; G. Scott Tria; David J. Edmonds; Moumita Kar","Total Syntheses of (\±)-Platencin and (-)-Platencin","Journal of the American Chemical Society","2009","131","","15909","15917","10.1021/ja906801g","","","0.71073","MoKα","","0.0465","0.0414","","","0.1136","0.1178","","","","","","1.069","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105267","22.0808","0.0008","16.6729","0.0006","14.5623","0.0005","90","","90","","90","","5361.1","0.3","130","2","130","2","","","","","","","","6","P b c n","-P 2n 2ab","60","D-63","D-63","","- C23 H25 F6 N3 O5 Pd -","- C23 H25 F6 N3 O5 Pd -","- C184 H200 F48 N24 O40 Pd8 -","8","1","","Paul A. Sibbald; Carolyn F. Rosewall; Rodney D. Swartz; Forrest E. Michael","Mechanism of N-Fluorobenzenesulfonimide Promoted Diamination and Carboamination Reactions: Divergent Reactivity of a Pd(IV) Species","Journal of the American Chemical Society","2009","131","","15945","15951","10.1021/ja906915w","","","0.71073","MoKα","","0.1382","0.0544","","","0.1131","0.141","","","","","","0.986","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105268","10.9042","0.0012","18.895","0.002","15.2167","0.0016","90","","109.945","0.002","90","","2947.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 Ir O P2 -","- C31 H49 Ir O P2 -","- C124 H196 Ir4 O4 P8 -","4","1","","Jongwook Choi; Yuriy Choliy; Xiawei Zhang; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of sp3 C-O Bonds via Oxidative Addition of C-H Bonds","Journal of the American Chemical Society","2009","131","","15627","15629","10.1021/ja906930u","","","0.71073","MoKα","","0.0508","0.0339","","","0.0726","0.0788","","","","","","1.023","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105269","54.624","0.003","11.2955","0.0006","22.5933","0.0011","90","","102.985","0.001","90","","13583.7","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H49 F6 Ir O P2 -","- C33 H49 F6 Ir O P2 -","- C528 H784 F96 Ir16 O16 P32 -","16","2","","Jongwook Choi; Yuriy Choliy; Xiawei Zhang; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of sp3 C-O Bonds via Oxidative Addition of C-H Bonds","Journal of the American Chemical Society","2009","131","","15627","15629","10.1021/ja906930u","","","0.71073","MoKα","","0.066","0.0494","","","0.1257","0.1346","","","","","","1.098","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105270","11.2722","0.0008","30.082","0.002","11.4828","0.0008","90","","116.13","0.001","90","","3495.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35.25 H52 F5 Ir O P2 -","- C35.125 H52 F5 Ir O P2 -","- C140.5 H208 F20 Ir4 O4 P8 -","4","1","","Jongwook Choi; Yuriy Choliy; Xiawei Zhang; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of sp3 C-O Bonds via Oxidative Addition of C-H Bonds","Journal of the American Chemical Society","2009","131","","15627","15629","10.1021/ja906930u","","","0.71073","MoKα","","0.039","0.0347","","","0.0799","0.0818","","","","","","1.028","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105271","11.7698","0.0008","19.4207","0.0014","14.9529","0.0011","90","","110.538","0.001","90","","3200.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31.71 H48.42 F4 Ir O P2 -","- C31.71 H48.42 F4 Ir O P2 -","- C126.84 H193.68 F16 Ir4 O4 P8 -","4","1","","Jongwook Choi; Yuriy Choliy; Xiawei Zhang; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of sp3 C-O Bonds via Oxidative Addition of C-H Bonds","Journal of the American Chemical Society","2009","131","","15627","15629","10.1021/ja906930u","","","0.71073","MoKα","","0.0289","0.0248","","","0.0537","0.0552","","","","","","1.009","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105272","10.6099","0.0006","13.2209","0.0008","21.7424","0.0013","90","","104.037","0.001","90","","2958.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 Ir O P2 -","- C30 H49 Ir O P2 -","- C120 H196 Ir4 O4 P8 -","4","1","","Jongwook Choi; Yuriy Choliy; Xiawei Zhang; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of sp3 C-O Bonds via Oxidative Addition of C-H Bonds","Journal of the American Chemical Society","2009","131","","15627","15629","10.1021/ja906930u","","","0.71073","MoKα","","0.0386","0.0275","","","0.0575","0.0617","","","","","","0.967","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105273","10.7003","0.0009","14.8286","0.0013","20.0664","0.0018","90","","100.499","0.002","90","","3130.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 F4 Ir O P2 -","- C31 H44 F4 Ir O P2 -","- C124 H176 F16 Ir4 O4 P8 -","4","1","","Jongwook Choi; Yuriy Choliy; Xiawei Zhang; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of sp3 C-O Bonds via Oxidative Addition of C-H Bonds","Journal of the American Chemical Society","2009","131","","15627","15629","10.1021/ja906930u","","","0.71073","MoKα","","0.0367","0.0275","","","0.0593","0.0623","","","","","","0.998","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105274","7.3186","0.0007","22.46","0.02","13.2979","0.0013","90","","93.896","0.005","90","","2181","2","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O -","- C18 H20 O -","- C108 H120 O6 -","6","3","","Sébastien R. Goudreau; André B. Charette","In Situ Generation of Zinc Carbenoids from Diazo Compounds and Zinc Salts: Asymmetric Synthesis of 1,2,3-Substituted Cyclopropanes","Journal of the American Chemical Society","2009","131","","15633","15635","10.1021/ja9074776","","","1.54178","CuKα","","0.0467","0.0406","","","0.1067","0.1118","","","","","","1.025","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105275","13.177","0.0011","15.864","0.0014","16.2706","0.0014","90","","90","","90","","3401.2","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H22 B F15 Fe Zr -","- C39 H22 B F15 Fe Zr -","- C156 H88 B4 F60 Fe4 Zr4 -","4","1","","Alberto Ramos; Edwin Otten; Douglas W. Stephan","Stabilizing Zr and Ti Cations by Interaction With a Ferrocenyl Fragment","Journal of the American Chemical Society","2009","131","","15610","15611","10.1021/ja9077446","","","0.71073","MoKα","","0.0395","0.0301","","","0.0678","0.0714","","","","","","1.033","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105276","13.4146","0.0016","15.9532","0.0017","16.5904","0.0017","90","","90","","90","","3550.4","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H26 B F15 Fe Zr -","- C41 H26 B F15 Fe Zr -","- C164 H104 B4 F60 Fe4 Zr4 -","4","1","","Alberto Ramos; Edwin Otten; Douglas W. Stephan","Stabilizing Zr and Ti Cations by Interaction With a Ferrocenyl Fragment","Journal of the American Chemical Society","2009","131","","15610","15611","10.1021/ja9077446","","","0.71073","MoKα","","0.0628","0.0401","","","0.0757","0.0835","","","","","","1.014","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105277","12.7013","0.0006","15.4895","0.0008","22.0666","0.0011","110.254","0.002","97.413","0.002","91.311","0.002","4028.2","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C43.5 H32.25 B Br0.25 F15 Fe P Zr -","- C43.5 H31 B Br0.25 F15 Fe P Zr -","- C174 H124 B4 Br F60 Fe4 P4 Zr4 -","4","2","","Alberto Ramos; Edwin Otten; Douglas W. Stephan","Stabilizing Zr and Ti Cations by Interaction With a Ferrocenyl Fragment","Journal of the American Chemical Society","2009","131","","15610","15611","10.1021/ja9077446","","","0.71073","MoKα","","0.0552","0.0346","","","0.0787","0.0883","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105278","9.7656","0.0003","28.7619","0.0007","16.3906","0.0004","90","","106.234","0.001","90","","4420.2","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 B F15 Fe N P Ti -","- C46 H44 B F15 Fe N P Ti -","- C184 H176 B4 F60 Fe4 N4 P4 Ti4 -","4","1","","Alberto Ramos; Edwin Otten; Douglas W. Stephan","Stabilizing Zr and Ti Cations by Interaction With a Ferrocenyl Fragment","Journal of the American Chemical Society","2009","131","","15610","15611","10.1021/ja9077446","","","0.71073","MoKα","","0.0476","0.0371","","","0.0835","0.0875","","","","","","1.062","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105279","12.1242","0.0008","21.3988","0.0011","23.125","0.003","90","","90","","90","","5999.6","0.9","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Mo Zn12 -","- C40 H30 Mo Zn12 -","- C160 H120 Mo4 Zn48 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.1424","0.0676","","","0.1712","0.195","","","","","","0.832","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105280","12.745","0.003","23.559","0.005","18.921","0.005","90","","93.81","0.02","90","","5669","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Ga4 Mo Zn4 -","- C44 H72 Ga4 Mo Zn4 -","- C176 H288 Ga16 Mo4 Zn16 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.1446","0.0622","","","0.1536","0.2094","","","","","","0.91","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105281","17.3477","0.0008","17.5178","0.0009","18.8957","0.0009","90","","94.774","0.004","90","","5722.4","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H84 Ga2 Mo Zn8 -","- C52 H84 Ga2 Mo Zn8 -","- C208 H336 Ga8 Mo4 Zn32 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.0925","0.0382","","","0.0818","0.1253","","","","","","0.816","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105282","17.2946","0.0011","17.39","0.002","18.725","0.002","90","","94.516","0.007","90","","5614.1","1","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H84 Ru Zn10 -","- C52 H84 Ru Zn10 -","- C208 H336 Ru4 Zn40 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.158","0.0468","","","0.0839","0.1084","","","","","","0.832","","","","has coordinates,has disorder","178798","2020-10-21","18:00:00",""
"4105283","12.5205","0.0004","23.2905","0.0007","22.5218","0.0008","90","","123.522","0.002","90","","5475.2","0.3","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H72 Ga0 Ru Zn8 -","- C44 H72 Ru Zn8 -","- C176 H288 Ru4 Zn32 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.0951","0.0533","","","0.1456","0.1559","","","","","","0.968","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105284","19.584","0.0007","12.5029","0.0005","17.3314","0.0006","90","","90","","90","","4243.7","0.3","113","2","113","2","","","","","","","","3","P m c 21","P 2c -2","26","","","","- C36 Rh Zn9 -","- C36 Rh Zn9 -","- C144 Rh4 Zn36 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.0854","0.0399","","","0.0927","0.1402","","","","","","0.916","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105285","16.9525","0.0007","16.583","0.0004","23.4379","0.0009","90","","110.783","0.004","90","","6160.2","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H72 Ga Rh Zn7 -","- C44 H72 Ga Rh Zn7 -","- C176 H288 Ga4 Rh4 Zn28 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.072","0.0383","","","0.1055","0.11","","","","","","0.882","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105286","29.9453","0.0013","20.8547","0.0006","22.1767","0.0007","90","","126.644","0.003","90","","11112.2","0.8","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 F0 Ni Zn8 -","- C44 H72 Ni Zn8 -","- C352 H576 Ni8 Zn64 -","8","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.0819","0.0372","","","0.0907","0.1001","","","","","","0.78","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105287","12.6106","0.0003","23.3762","0.0009","18.9914","0.0007","90","","93.411","0.003","90","","5588.5","0.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Ga0 Pd Zn8 -","- C44 H72 Pd Zn8 -","- C176 H288 Pd4 Zn32 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.0709","0.0433","","","0.1248","0.141","","","","","","0.939","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105288","12.5896","0.0012","23.1888","0.0008","19.066","0.004","90","","93.262","0.011","90","","5557.1","1.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H69 Ga0 Pt Zn8 -","- C44 H69 Pt Zn8 -","- C176 H276 Pt4 Zn32 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.0787","0.0455","","","0.1266","0.1384","","","","","","0.994","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105289","17.2256","0.0003","17.7766","0.0003","18.5676","0.0003","90","","90","","90","","5685.63","0.17","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C52 H90 O Pt Zn8 -","- C52 H90 O Pt Zn8 -","- C208 H360 O4 Pt4 Zn32 -","4","0.5","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.0435","0.0234","","","0.0532","0.057","","","","","","0.949","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105290","15.0956","0.0011","27.0921","0.0019","25.7271","0.0018","90","","106.834","0.002","90","","10070.8","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H61 Mo6 N1.5 O25 P0.5 Zn2 -","- C32 H4 Mo6 N1.5 O24 P0.5 Zn2 -","- C256 H32 Mo48 N12 O192 P4 Zn16 -","8","1","","L. Marleny Rodriguez-Albelo; A. Rabdel Ruiz-Salvador; Alvaro Sampieri; Dewi W. Lewis; Ariel Gómez; Brigitte Nohra; Pierre Mialane; Jérôme Marrot; Francis Sécheresse; Caroline Mellot-Draznieks; Rosa Ngo Biboum; Bineta Keita; Louis Nadjo; Anne Dolbecq","Zeolitic Polyoxometalate-Based Metal-Organic Frameworks (Z-POMOFs): Computational Evaluation of Hypothetical Polymorphs and the Successful Targeted Synthesis of the Redox-Active Z-POMOF1","Journal of the American Chemical Society","2009","131","","16078","16087","10.1021/ja905009e","","","0.71073","MoKα","","0.1024","0.0618","","","0.1303","0.1457","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105291","5.7817","0.001","5.7817","","5.7817","","90","","90","","90","","193.27","0.03","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cu0.5 In0.5 Se -","- Cu0.5 In0.5 Se -","- Cu2 In2 Se4 -","4","0.0416667","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.12991","","10.01","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4105292","5.7937","0.0025","5.7937","","11.554","0.008","90","","90","","90","","387.8","0.3","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu In Se2 -","- Cu In Se2 -","- Cu4 In4 Se8 -","4","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.2789","","8.68","","","","","","","has coordinates,has Fobs","178798","2020-10-21","18:00:00",""
"4105293","5.7886","0.0005","5.7886","","5.7886","","90","","90","","90","","193.964","0.017","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cu In Se -","- Cu In Se -","- Cu4 In4 Se4 -","4","0.0416667","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.21111","","18.52","","","","","","","has coordinates,has Fobs","178798","2020-10-21","18:00:00",""
"4105294","5.7852","0.0013","5.7852","","11.5964","0.0016","90","","90","","90","","388.11","0.1","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu In Se2 -","- Cu In Se2 -","- Cu4 In4 Se8 -","4","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.26008","","14.14","","","","","","","has coordinates,has Fobs","178798","2020-10-21","18:00:00",""
"4105295","6.9986","0.0004","6.9986","","7.1357","0.0006","90","","90","","120","","302.68","0.03","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","","","- Cu3 P -","- Cu3 P -","- Cu18 P6 -","6","0.5","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.47963","","25.52","","","","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105296","6.469","0.007","6.469","","4.203","0.005","90","","90","","90","","175.9","0.3","","","","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- Cu3 Se2 -","- Cu3 Se2 -","- Cu6 Se4 -","2","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.21824","","6.35","","","","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105297","6.66","0.05","6.66","","4.102","0.012","90","","90","","90","","181.9","1.5","","","","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- Cu3 Se2 -","- Cu3 Se2 -","- Cu6 Se4 -","2","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.05031","","8.35","","","","","","","has coordinates,has Fobs","178798","2020-10-21","18:00:00",""
"4105298","5.0252","0.0009","6.1941","0.0011","3.7447","0.0007","90","","90","","90","","116.56","0.04","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Cu Se2 -","- Cu Se2 -","- Cu2 Se4 -","2","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.34194","","16.26","","","","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105299","8.5116","0.0006","8.534","0.0006","11.9392","0.001","75.976","0.003","82.396","0.003","74.39","0.004","808.26","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C32 H42 N2 O8 S2 -","2","1","","Vanessa M. Williams; Jong Rock Kong; Byoung Joon Ko; Yogita Mantri; Jennifer S. Brodbelt; Mu-Hyun Baik; Michael J. Krische","ESI-MS, DFT, and Synthetic Studies on the H2-Mediated Coupling of Acetylene: Insertion of C=X Bonds into Rhodacyclopentadienes and Brønsted Acid Cocatalyzed Hydrogenolysis of Organorhodium Intermediates","Journal of the American Chemical Society","2009","131","","16054","16062","10.1021/ja906225n","","","0.71073","MoKα","","0.1399","0.1255","","","0.2089","0.2114","","","","","","3.102","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105300","20.398","0.0001","20.398","0.0001","20.398","0.0001","90","","90","","90","","8487.17","0.07","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C36 H12 In3 N2.5 O24 -","- C36 H12 In3 O24 -","- C144 H48 In12 O96 -","4","0.0833333","","Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu","Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties","Journal of the American Chemical Society","2009","131","","16027","16029","10.1021/ja906302t","","","0.71073","MoKα","","0.0432","0.042","","","0.1361","0.1372","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105301","29.1453","0.0001","29.1453","0.0001","16.991","0.0002","90","","90","","120","","12499.3","0.16","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C72 H96 In3 N3 O24 -","- C72 H96 In3 N3 O24 -","- C432 H576 In18 N18 O144 -","6","0.333333","","Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu","Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties","Journal of the American Chemical Society","2009","131","","16027","16029","10.1021/ja906302t","","","0.71073","MoKα","","","0.0307","","","0.0755","0.0771","","","","","","1.013","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105302","29.155","0.002","29.155","0.002","17.367","0.003","90","","90","","120","","12784","3","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C84 H117 In3 N3 O24 -","- C84 H117 In3 N3 O24 -","- C504 H702 In18 N18 O144 -","6","0.333333","","Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu","Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties","Journal of the American Chemical Society","2009","131","","16027","16029","10.1021/ja906302t","","","0.71073","MoKα","","0.0732","0.0584","","","0.1289","0.147","","","","","","1.052","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105303","20.431","0.0001","20.431","0.0001","20.431","0.0001","90","","90","","90","","8528.43","0.07","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C36 H12 In3 N0 O24 -","- C36 H12 In3 O24 -","- C144 H48 In12 O96 -","4","0.0833333","","Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu","Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties","Journal of the American Chemical Society","2009","131","","16027","16029","10.1021/ja906302t","","","0.71073","MoKα","","0.0638","0.0547","","","0.1632","0.1663","","","","","","1.13","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105304","20.4639","0.0001","20.4639","0.0001","20.4639","0.0001","90","","90","","90","","8569.69","0.07","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C54 H60 In3 N3 O33 -","- C54 In3 N3 O33 -","- C216 In12 N12 O132 -","4","0.0833333","","Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu","Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties","Journal of the American Chemical Society","2009","131","","16027","16029","10.1021/ja906302t","","","0.71073","MoKα","","0.0716","0.059","","","0.1676","0.173","","","","","","1.113","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105305","20.4029","0.0008","20.4029","0.0008","20.4029","0.0008","90","","90","","90","","8493.3","0.6","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C36 H12 In3 N0 O24 -","- C36 H12 In3 O24 -","- C144 H48 In12 O96 -","4","0.0833333","","Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu","Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties","Journal of the American Chemical Society","2009","131","","16027","16029","10.1021/ja906302t","","","0.71073","MoKα","","0.0576","0.0482","","","0.1398","0.1481","","","","","","1.073","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105306","20.3878","0.0004","20.3878","0.0004","20.3878","0.0004","90","","90","","90","","8474.4","0.3","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C36 H0 In3 N0 O24 -","- C36 In3 O24 -","- C144 In12 O96 -","4","0.0833333","","Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu","Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties","Journal of the American Chemical Society","2009","131","","16027","16029","10.1021/ja906302t","","","0.71073","MoKα","","0.0405","0.0385","","","0.136","0.1369","","","","","","1.323","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105307","11.4455","0.0007","14.181","0.0008","16.6488","0.001","77.11","0.001","74.535","0.001","66.732","0.001","2371.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Molybdenum AsP2","","","- C43.98 H58.03 As Mo N3 O5 P2 W -","- C43.982 H58.036 As Mo N3 O5 P2 W -","- C87.964 H116.072 As2 Mo2 N6 O10 P4 W2 -","2","1","","Heather A. Spinney; Nicholas A. Piro; Christopher C. Cummins","Triple-Bond Reactivity of an AsP Complex Intermediate: Synthesis Stemming from Molecular Arsenic, As4","Journal of the American Chemical Society","2009","131","","16233","16243","10.1021/ja906550h","","","0.71073","MoKα","","0.039","0.0283","","","0.0607","0.0652","","","","","","1.032","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105308","11.749","0.0005","16.47","0.0007","17.3444","0.0007","69.876","0.001","78.401","0.001","87.067","0.001","3086.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(Mes*NPAs)Nb(N[Np]Ar)3","","","- C61 H99 As N4 Nb O P -","- C61 H99 As N4 Nb O P -","- C122 H198 As2 N8 Nb2 O2 P2 -","2","1","","Heather A. Spinney; Nicholas A. Piro; Christopher C. Cummins","Triple-Bond Reactivity of an AsP Complex Intermediate: Synthesis Stemming from Molecular Arsenic, As4","Journal of the American Chemical Society","2009","131","","16233","16243","10.1021/ja906550h","","","0.71073","MoKα","","0.0667","0.0413","","","0.0939","0.1033","","","","","","1.012","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105309","13.8402","0.0016","9.094","0.001","15.3767","0.0017","90","","109.567","0.002","90","","1823.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","AsPW(CO)5 Cyclohexadiene Trap","","","- C17 H16 As O5 P W -","- C17 H16 As O5 P W -","- C68 H64 As4 O20 P4 W4 -","4","1","","Heather A. Spinney; Nicholas A. Piro; Christopher C. Cummins","Triple-Bond Reactivity of an AsP Complex Intermediate: Synthesis Stemming from Molecular Arsenic, As4","Journal of the American Chemical Society","2009","131","","16233","16243","10.1021/ja906550h","","","0.71073","MoKα","","0.0178","0.0155","","","0.0351","0.0362","","","","","","1.051","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105310","15.411","0.007","7.065","0.003","18.782","0.009","90","","102.912","0.008","90","","1993.3","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","AsPW(CO)5 Butadiene trap","","","- C17 H20 As O5 P W -","- C17 H20 As O5 P W -","- C68 H80 As4 O20 P4 W4 -","4","1","","Heather A. Spinney; Nicholas A. Piro; Christopher C. Cummins","Triple-Bond Reactivity of an AsP Complex Intermediate: Synthesis Stemming from Molecular Arsenic, As4","Journal of the American Chemical Society","2009","131","","16233","16243","10.1021/ja906550h","","","0.71073","MoKα","","0.0273","0.021","","","0.0518","0.0551","","","","","","1.057","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105311","13.998","0.003","25.218","0.005","19.476","0.004","90","","95.353","0.004","90","","6845","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","niobium arsenide anion","","","- C63 H112 As N3 Na Nb O10 -","- C63 H112 As N3 Na Nb O10 -","- C252 H448 As4 N12 Na4 Nb4 O40 -","4","1","","Heather A. Spinney; Nicholas A. Piro; Christopher C. Cummins","Triple-Bond Reactivity of an AsP Complex Intermediate: Synthesis Stemming from Molecular Arsenic, As4","Journal of the American Chemical Society","2009","131","","16233","16243","10.1021/ja906550h","","","0.71073","MoKα","","0.0743","0.0414","","","0.0908","0.1055","","","","","","1.029","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105312","20.6006","0.001","11.2495","0.0005","22.3478","0.001","90","","115.889","0.001","90","","4659.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H74 As N3 Na Nb O -","- C45.504 H74.008 As N3 Na Nb O1.001 -","- C182.016 H296.032 As4 N12 Na4 Nb4 O4.004 -","4","1","","Heather A. Spinney; Nicholas A. Piro; Christopher C. Cummins","Triple-Bond Reactivity of an AsP Complex Intermediate: Synthesis Stemming from Molecular Arsenic, As4","Journal of the American Chemical Society","2009","131","","16233","16243","10.1021/ja906550h","","","0.71073","MoKα","","0.0492","0.0344","","","0.0803","0.0886","","","","","","1.037","","","","has coordinates,has disorder","286259","2023-09-07","06:02:01",""
"4105313","10.5271","0.0009","13.3224","0.0009","15.1121","0.0013","90","","109.569","0.006","90","","1997","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 B Fe Li O2 -","- C18 H32 B Fe Li O2 -","- C72 H128 B4 Fe4 Li4 O8 -","4","1","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.0574","0.0454","","","0.1214","0.1262","","","","","","1.072","","","","has coordinates","264764","2021-05-03","08:11:06",""
"4105314","11.1642","0.0013","11.4223","0.0014","11.9409","0.0015","73.147","0.01","81.396","0.01","87.087","0.01","1440.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 B Fe Li O -","- C14 H22 B Fe Li O -","- C56 H88 B4 Fe4 Li4 O4 -","4","2","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.065","0.0344","","","0.0662","0.0722","","","","","","0.857","","","","has coordinates","264764","2021-05-03","08:11:06",""
"4105315","14.798","0.003","15.367","0.003","17.476","0.004","103.324","0.016","92.741","0.016","99.274","0.016","3801.6","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.33 H81.33 B4 Fe2 Li4 O5.33 -","- C41.3333 H81.3333 B4 Fe2 Li4 O5.33333 -","- C124 H244 B12 Fe6 Li12 O16 -","3","1.5","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.1554","0.0535","","","0.079","0.1018","","","","","","0.667","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105316","16.2127","0.0018","5.8859","0.0009","25.442","0.003","90","","90","","90","","2427.8","0.5","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H17 B Fe S -","- C12 H17 B Fe S -","- C96 H136 B8 Fe8 S8 -","8","2","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.084","0.0436","","","0.0905","0.101","","","","","","0.787","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105317","5.944","0.002","9.561","0.003","9.609","0.003","113.82","0.02","97.85","0.03","92.99","0.03","491.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 B2 Fe N2 -","- C18 H34 B2 Fe N2 -","- C18 H34 B2 Fe N2 -","1","0.5","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.1506","0.1251","","","0.3335","0.3527","","","","","","1.237","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105318","7.4731","0.0011","29.742","0.005","9.3452","0.0018","90","","90.12","0.014","90","","2077.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 B Fe2 -","- C26 H29 B Fe2 -","- C104 H116 B4 Fe8 -","4","1","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.1359","0.0652","","","0.1323","0.1544","","","","","","0.811","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105319","12.778","0.003","12.778","0.003","6.697","0.0014","90","","90","","120","","947","0.4","173","2","173","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C18 H33 B -","- C18 H33 B -","- C36 H66 B2 -","2","0.166667","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.1477","0.1134","","","0.3059","0.3449","","","","","","1.075","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105320","7.675","0.0006","10.6775","0.0006","27.069","0.002","90","","96.613","0.006","90","","2203.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 B Fe2 -","- C28 H25 B Fe2 -","- C112 H100 B4 Fe8 -","4","1","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.0643","0.0495","","","0.1203","0.1259","","","","","","1.125","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105321","7.3279","0.0004","10.6551","0.0004","27.7377","0.0016","90","","91.604","0.005","90","","2164.9","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 B Fe2 -","- C26 H29 B Fe2 -","- C104 H116 B4 Fe8 -","4","1","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.0307","0.0287","","","0.0603","0.0624","","","","","","1.066","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105322","20.701","0.005","43.699","0.011","8.231","0.002","90","","90","","90","","7446","3","90","2","90","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C48 H52 Ge -","- C48 H52 Ge -","- C384 H416 Ge8 -","8","0.5","","Yang Peng; Jing-Dong Guo; Bobby D. Ellis; Zhongliang Zhu; James C. Fettinger; Shigeru Nagase; Philip P. Power","Reaction of Hydrogen or Ammonia with Unsaturated Germanium or Tin Molecules under Ambient Conditions: Oxidative Addition versus Arene Elimination","Journal of the American Chemical Society","2009","131","","16272","16282","10.1021/ja9068408","","","0.71073","MoKα","","0.0673","0.0462","","","0.1017","0.1118","","","","","","1.009","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105323","8.5642","0.001","21.275","0.003","23.86","0.003","90","","89.973","0.002","90","","4347.4","1","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H61 Ge N -","- C55 H61 Ge N -","- C220 H244 Ge4 N4 -","4","1","","Yang Peng; Jing-Dong Guo; Bobby D. Ellis; Zhongliang Zhu; James C. Fettinger; Shigeru Nagase; Philip P. Power","Reaction of Hydrogen or Ammonia with Unsaturated Germanium or Tin Molecules under Ambient Conditions: Oxidative Addition versus Arene Elimination","Journal of the American Chemical Society","2009","131","","16272","16282","10.1021/ja9068408","","","0.71073","MoKα","","0.0333","0.0308","","","0.0804","0.0818","","","","","","1.03","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105324","13.581","0.002","35.514","0.006","11.6831","0.0019","90","","99.55","0.003","90","","5556.8","1.5","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C67 H85 Ge N -","- C67 H85 Ge N -","- C268 H340 Ge4 N4 -","4","0.5","","Yang Peng; Jing-Dong Guo; Bobby D. Ellis; Zhongliang Zhu; James C. Fettinger; Shigeru Nagase; Philip P. Power","Reaction of Hydrogen or Ammonia with Unsaturated Germanium or Tin Molecules under Ambient Conditions: Oxidative Addition versus Arene Elimination","Journal of the American Chemical Society","2009","131","","16272","16282","10.1021/ja9068408","","","0.71069","MoKα","","0.1275","0.0746","","","0.124","0.1381","","","","","","1.037","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105325","8.6345","0.0012","12.8195","0.0018","21.717","0.003","102.628","0.0019","95.034","0.002","93.0434","0.0019","2330.2","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H62 N2 Sn2 -","- C55 H62 N2 Sn2 -","- C110 H124 N4 Sn4 -","2","1","","Yang Peng; Jing-Dong Guo; Bobby D. Ellis; Zhongliang Zhu; James C. Fettinger; Shigeru Nagase; Philip P. Power","Reaction of Hydrogen or Ammonia with Unsaturated Germanium or Tin Molecules under Ambient Conditions: Oxidative Addition versus Arene Elimination","Journal of the American Chemical Society","2009","131","","16272","16282","10.1021/ja9068408","","","0.71073","MoKα","","0.0429","0.0325","","","0.0838","0.087","","","","","","1.066","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105326","5.3337","0.0003","8.4781","0.0005","10.0357","0.0006","90","","99.05","0.006","90","","448.16","0.05","295","1","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O -","- C9 H15 N O -","- C18 H30 N2 O2 -","2","1","","William J. Nodes; David R. Nutt; Ann M. Chippindale; Alexander J. A. Cobb","Enantioselective Intramolecular Michael Addition of Nitronates onto Conjugated Esters: Access to Cyclic γ-Amino Acids with up to Three Stereocenters","Journal of the American Chemical Society","2009","131","","16016","16017","10.1021/ja9070915","","","1.5418","CuKα","","0.0341","0.0321","","0.0377","0.0376","0.0376","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105327","14.5595","0.0015","12.4587","0.0013","15.6241","0.0017","90","","97.105","0.003","90","","2812.3","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H86 N6 O11 -","- C51 H86 N6 O11 -","- C102 H172 N12 O22 -","2","1","","Li Guo; Yonggui Chi; Aaron M. Almeida; Ilia A. Guzei; Brian K. Parker; Samuel H. Gellman","Stereospecific Synthesis of Conformationally Constrained γ-Amino Acids: New Foldamer Building Blocks That Support Helical Secondary Structure","Journal of the American Chemical Society","2009","131","","16018","16020","10.1021/ja907233q","","","1.54178","Cu-Kα","","0.0445","0.0419","","","0.1049","0.107","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105328","10.77","0.003","17.053","0.005","11.738","0.004","90","","99.878","0.019","90","","2123.9","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H64 N4 O7 -","- C44 H64 N4 O7 -","- C88 H128 N8 O14 -","2","1","","Li Guo; Yonggui Chi; Aaron M. Almeida; Ilia A. Guzei; Brian K. Parker; Samuel H. Gellman","Stereospecific Synthesis of Conformationally Constrained γ-Amino Acids: New Foldamer Building Blocks That Support Helical Secondary Structure","Journal of the American Chemical Society","2009","131","","16018","16020","10.1021/ja907233q","","","1.54178","Cu-Kα","","0.0272","0.027","","","0.0706","0.0708","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105329","6.9458","0.0014","6.5551","0.0013","9.955","0.002","90","","90.42","0.003","90","","453.24","0.16","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- K4 P8 Te4 -","- K4 P8 Te4 -","- K4 P8 Te4 -","1","0.25","","In Chung; Jung-Hwan Song; Myung Gil Kim; Christos D. Malliakas; Angela L. Karst; Arthur J. Freeman; David P. Weliky; Mercouri G. Kanatzidis","The Tellurophosphate K4P8Te4: Phase-Change Properties, Exfoliation, Photoluminescence in Solution and Nanospheres","Journal of the American Chemical Society","2009","131","","16303","16312","10.1021/ja907273g","","","0.71073","MoKα","","0.056","0.0397","","","0.0889","0.0958","","","","","","1.099","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105330","14.485","0.003","19.552","0.004","29.126","0.006","90","","90","","90","","8249","3","153.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C75 H110 N2 O32 -","- C75 H110 N2 O32 -","- C300 H440 N8 O128 -","4","1","","Jun Terao; Susumu Tsuda; Yuji Tanaka; Kento Okoshi; Tetsuaki Fujihara; Yasushi Tsuji; Nobuaki Kambe","Synthesis of Organic-Soluble Conjugated Polyrotaxanes by Polymerization of Linked Rotaxanes","Journal of the American Chemical Society","2009","131","","16004","16005","10.1021/ja9074437","","","0.7107","MoKα","","","0.103","","","","0.2319","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105331","10.681","0.002","15.35","0.003","18.887","0.004","90","","92.59","0.03","90","","3093.4","1.1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","6-KetoDipp-Triflate","","","- C31 H41 F3 N2 O5 S -","- C31 H41 F3 N2 O5 S -","- C124 H164 F12 N8 O20 S4 -","4","1","","Todd W. Hudnall; Christopher W. Bielawski","An N,N'-Diamidocarbene: Studies in C-H Insertion, Reversible Carbonylation, and Transition-Metal Coordination Chemistry","Journal of the American Chemical Society","2009","131","","16039","16041","10.1021/ja907481w","","","0.71073","MoKα","","0.0987","0.0666","","","0.142","0.171","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105332","15.726","0.003","9.803","0.002","17.111","0.003","90","","90","","90","","2637.9","0.9","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","6-KetoDipp-carbene","","","- C30 H40 N2 O2 -","- C30 H40 N2 O2 -","- C120 H160 N8 O8 -","4","1","","Todd W. Hudnall; Christopher W. Bielawski","An N,N'-Diamidocarbene: Studies in C-H Insertion, Reversible Carbonylation, and Transition-Metal Coordination Chemistry","Journal of the American Chemical Society","2009","131","","16039","16041","10.1021/ja907481w","","","0.71073","MoKα","","0.0475","0.0385","","","0.0897","0.1024","","","","","","1.005","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105333","10.617","0.002","11.695","0.002","16.402","0.003","82.83","0.03","87.57","0.03","79.23","0.03","1984.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","6-KetoDipp-Ketene","","","- C37 H58 N3 Na O3 Si2 -","- C37 H58 N3 Na O3 Si2 -","- C74 H116 N6 Na2 O6 Si4 -","2","1","","Todd W. Hudnall; Christopher W. Bielawski","An N,N'-Diamidocarbene: Studies in C-H Insertion, Reversible Carbonylation, and Transition-Metal Coordination Chemistry","Journal of the American Chemical Society","2009","131","","16039","16041","10.1021/ja907481w","","","0.71073","MoKα","","0.2894","0.1038","","","0.1437","0.2015","","","","","","1.028","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105334","16.468","0.003","19.084","0.004","11.224","0.002","90","","90","","90","","3527.4","1.2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","6-KetoDipp-Ir(COD)Cl","","","- C38 H52 Cl Ir N2 O2 -","- C38 H52 Cl Ir N2 O2 -","- C152 H208 Cl4 Ir4 N8 O8 -","4","0.5","","Todd W. Hudnall; Christopher W. Bielawski","An N,N'-Diamidocarbene: Studies in C-H Insertion, Reversible Carbonylation, and Transition-Metal Coordination Chemistry","Journal of the American Chemical Society","2009","131","","16039","16041","10.1021/ja907481w","","","0.71073","MoKα","","0.0438","0.0257","","","0.0714","0.1083","","","","","","1.005","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105335","10.0543","0.0003","26.7727","0.0008","16.572","0.0005","90","","103.799","0.001","90","","4332.1","0.2","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H68 N3 O2 Si2 Y -","- C38 H68 N3 O2 Si2 Y -","- C152 H272 N12 O8 Si8 Y4 -","4","1","","John W. Kramer; Daniel S. Treitler; Erin W. Dunn; Pascal M. Castro; Thierry Roisnel; Christophe M. Thomas; Geoffrey W. Coates","Polymerization of Enantiopure Monomers Using Syndiospecific Catalysts: A New Approach To Sequence Control in Polymer Synthesis","Journal of the American Chemical Society","2009","131","","16042","16044","10.1021/ja9075327","","x-ray","0.71073","MoKα","","0.0653","0.0409","","","0.0901","0.0982","","","","","","1.031","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105336","9.9384","0.0005","14.0259","0.0009","16.6178","0.0012","104.902","0.003","98.051","0.003","100.395","0.003","2159","0.2","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C86 H150 N4 O6 Y2 -","- C86 H150 N4 O6 Y2 -","- C86 H150 N4 O6 Y2 -","1","0.5","","John W. Kramer; Daniel S. Treitler; Erin W. Dunn; Pascal M. Castro; Thierry Roisnel; Christophe M. Thomas; Geoffrey W. Coates","Polymerization of Enantiopure Monomers Using Syndiospecific Catalysts: A New Approach To Sequence Control in Polymer Synthesis","Journal of the American Chemical Society","2009","131","","16042","16044","10.1021/ja9075327","","x-ray","0.71073","MoKα","","0.0924","0.0574","","","0.1189","0.131","","","","","","0.975","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105337","16.09457","0.00026","16.09457","","3.98958","0.00008","90","","90","","90","","1033.44","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley","Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response","Journal of the American Chemical Society","2009","131","","16012","16013","10.1021/ja908238w","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.18414","","","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105338","16.07661","0.00018","16.07661","","3.94232","0.00006","90","","90","","90","","1018.92","0.019","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley","Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response","Journal of the American Chemical Society","2009","131","","16012","16013","10.1021/ja908238w","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.12574","","","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105339","15.90088","0.00027","15.90088","","3.80246","0.00008","90","","90","","90","","961.41","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley","Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response","Journal of the American Chemical Society","2009","131","","16012","16013","10.1021/ja908238w","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.09667","","","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105340","15.83767","0.00024","15.83767","","3.73814","0.00007","90","","90","","90","","937.64","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley","Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response","Journal of the American Chemical Society","2009","131","","16012","16013","10.1021/ja908238w","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.08648","","","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105341","15.78087","0.00028","15.78087","","3.6909","0.00008","90","","90","","90","","919.17","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley","Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response","Journal of the American Chemical Society","2009","131","","16012","16013","10.1021/ja908238w","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.07402","","","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105342","10.1169","0.0002","14.662","0.0003","21.1692","0.0005","90","","90","","90","","3140.11","0.12","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C144 H144 O40 -","8","1","","Philip Magnus; Neeraj Sane; Benjamin P. Fauber; Vince Lynch","Concise Syntheses of (-)-Galanthamine and (\±)-Codeine via Intramolecular Alkylation of a Phenol Derivative","Journal of the American Chemical Society","2009","131","","16045","16047","10.1021/ja9085534","","","0.71073","MoKα","","0.0793","0.048","","","0.1134","0.1307","","","","","","0.988","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105343","9.6329","0.0002","20.8917","0.0006","7.191","0.0003","90","","109.168","0.0013","90","","1366.94","0.08","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O6 -","- C16 H15.94 O6 -","- C64 H63.76 O24 -","4","1","","Philip Magnus; Neeraj Sane; Benjamin P. Fauber; Vince Lynch","Concise Syntheses of (-)-Galanthamine and (\±)-Codeine via Intramolecular Alkylation of a Phenol Derivative","Journal of the American Chemical Society","2009","131","","16045","16047","10.1021/ja9085534","","","0.71073","MoKα","","0.064","0.042","","","0.0927","0.1028","","","","","","1.032","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105344","27.2222","0.0004","6.6121","0.0001","19.9706","0.0005","90","","105.697","0.001","90","","3460.57","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 B N2 O4 -","- C18 H23 B N2 O4 -","- C144 H184 B8 N16 O32 -","8","2","","Philip Magnus; Neeraj Sane; Benjamin P. Fauber; Vince Lynch","Concise Syntheses of (-)-Galanthamine and (\±)-Codeine via Intramolecular Alkylation of a Phenol Derivative","Journal of the American Chemical Society","2009","131","","16045","16047","10.1021/ja9085534","","","1.54187","CuKα","","0.2992","0.1482","","","0.1543","0.2138","","","","","","1.753","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105345","8.4748","0.0002","18.2912","0.0004","11.1855","0.0003","90","","95.346","0.0009","90","","1726.37","0.07","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C76 H76 N4 O24 -","4","1","","Philip Magnus; Neeraj Sane; Benjamin P. Fauber; Vince Lynch","Concise Syntheses of (-)-Galanthamine and (\±)-Codeine via Intramolecular Alkylation of a Phenol Derivative","Journal of the American Chemical Society","2009","131","","16045","16047","10.1021/ja9085534","","","0.71073","MoKα","","0.0737","0.0445","","","0.1018","0.1162","","","","","","0.997","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105346","8.7189","0.0002","9.8011","0.0003","11.0087","0.0003","106.745","0.001","92.89","0.001","109.487","0.001","837.99","0.04","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C38 H42 N2 O12 -","2","1","","Philip Magnus; Neeraj Sane; Benjamin P. Fauber; Vince Lynch","Concise Syntheses of (-)-Galanthamine and (\±)-Codeine via Intramolecular Alkylation of a Phenol Derivative","Journal of the American Chemical Society","2009","131","","16045","16047","10.1021/ja9085534","","","0.71073","MoKα","","0.0578","0.0386","","","0.0903","0.102","","","","","","1.011","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105347","5.7876","0.001","5.7876","","11.6045","0.0014","90","","90","","90","","388.71","0.08","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu In Se2 -","- Cu In Se2 -","- Cu4 In4 Se8 -","4","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.05031","","8.35","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105348","18.5035","0.0005","22.3371","0.0006","23.7134","0.0007","90","","90","","90","","9801.1","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H48 Cl16 N4 O18 Rh2 -","- C60 H48 Cl16 N4 O18 Rh2 -","- C240 H192 Cl64 N16 O72 Rh8 -","4","1","","Vincent N. G. Lindsay; Wei Lin; André B. Charette","Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids","Journal of the American Chemical Society","2009","131","","16383","16385","10.1021/ja9044955","","","1.54178","CuKα","","0.0841","0.0713","","","0.2063","0.2189","","","","","","1.044","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105349","8.1895","0.0014","5.7464","0.0009","16.269","0.003","90","","97.801","0.005","90","","758.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Vincent N. G. Lindsay; Wei Lin; André B. Charette","Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids","Journal of the American Chemical Society","2009","131","","16383","16385","10.1021/ja9044955","","","1.54178","CuKα","","0.0914","0.0535","","","0.1166","0.1303","","","","","","1.14","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105350","19.177","0.0003","22.7929","0.0003","23.4525","0.0003","90","","90","","90","","10251.1","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 Br16 N4 O18 Rh2 -","- C56 H42 Br16 N4 O18 Rh2 -","- C224 H168 Br64 N16 O72 Rh8 -","4","1","","Vincent N. G. Lindsay; Wei Lin; André B. Charette","Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids","Journal of the American Chemical Society","2009","131","","16383","16385","10.1021/ja9044955","","","1.54178","CuKα","","0.0559","0.0381","","","0.0812","0.0839","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105351","16.0549","0.0019","21.667","0.003","18.052","0.002","90","","92.792","0.003","90","","6272.1","1.3","200","2","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H64 N4 O20 Rh2 -","- C60 H64 N4 O20 Rh2 -","- C240 H256 N16 O80 Rh8 -","4","2","","Vincent N. G. Lindsay; Wei Lin; André B. Charette","Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids","Journal of the American Chemical Society","2009","131","","16383","16385","10.1021/ja9044955","","","0.71073","MoKα","","0.0644","0.051","","","0.1352","0.1432","","","","","","1.043","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105352","22.3018","0.0007","22.3018","","21.439","0.0008","90","","90","","90","","10663.1","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 4 21 2","P 4ab 2ab","90","","","","- C56 H44 Cl16 N4 O18 Rh2 -","- C56 H40 Cl16 N4 O18 Rh2 -","- C224 H160 Cl64 N16 O72 Rh8 -","4","0.5","","Vincent N. G. Lindsay; Wei Lin; André B. Charette","Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids","Journal of the American Chemical Society","2009","131","","16383","16385","10.1021/ja9044955","","","1.54178","CuKα","","0.1177","0.0877","","","0.2344","0.2546","","","","","","1.041","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105353","9.0828","0.0018","20.691","0.004","25.599","0.005","90","","90","","90","","4810.9","1.6","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H22 Cl3 N3 Pt -","- C25 H22 Cl3 N3 Pt -","- C200 H176 Cl24 N24 Pt8 -","8","1","","Paul J. Lusby; Peter Müller; Sarah J. Pike; Alexandra M. Z. Slawin","Stimuli-Responsive Reversible Assembly of 2D and 3D Metallosupramolecular Architectures","Journal of the American Chemical Society","2009","131","","16398","16400","10.1021/ja907297z","","","0.71073","MoKα","","0.1012","0.0648","","","0.1437","0.162","","","","","","1.088","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105354","28.995","0.006","11.188","0.002","22.014","0.005","90","","129.933","0.005","90","","5476","2","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H29 N3 O3 Pt S -","- C31 H29 N3 O3 Pt S -","- C248 H232 N24 O24 Pt8 S8 -","8","1","","Paul J. Lusby; Peter Müller; Sarah J. Pike; Alexandra M. Z. Slawin","Stimuli-Responsive Reversible Assembly of 2D and 3D Metallosupramolecular Architectures","Journal of the American Chemical Society","2009","131","","16398","16400","10.1021/ja907297z","","","0.71073","MoKα","","0.11","0.0707","","","0.1651","0.1906","","","","","","1.135","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105355","13.5137","0.0017","13.8563","0.0018","21.01","0.002","97.384","0.007","100.261","0.007","116.076","0.007","3380.6","0.7","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C113 H95 F24 N17 O10 P4 Pt4 -","- C113 H95 F24 N17 O10 P4 Pt4 -","- C113 H95 F24 N17 O10 P4 Pt4 -","1","0.5","","Paul J. Lusby; Peter Müller; Sarah J. Pike; Alexandra M. Z. Slawin","Stimuli-Responsive Reversible Assembly of 2D and 3D Metallosupramolecular Architectures","Journal of the American Chemical Society","2009","131","","16398","16400","10.1021/ja907297z","","","0.71073","MoKα","","0.0729","0.0673","","","0.1857","0.1944","","","","","","1.046","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105356","12.0825","0.0008","12.0825","0.0008","17.397","0.0011","90","","90","","90","","2539.7","0.3","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C30 H30 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","0.5","","Marwan W. Ghosn; Christian Wolf","Chiral Amplification with a Stereodynamic Triaryl Probe: Assignment of the Absolute Configuration and Enantiomeric Excess of Amino Alcohols","Journal of the American Chemical Society","2009","131","","16360","16361","10.1021/ja907741v","","","0.71073","MoKα","","0.0551","0.0484","","","0.1184","0.123","","","","","","1.062","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105357","12.0796","0.0007","12.0796","0.0007","17.3913","0.001","90","","90","","90","","2537.7","0.3","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C120 H120 N8 O16 -","4","0.5","","Marwan W. Ghosn; Christian Wolf","Chiral Amplification with a Stereodynamic Triaryl Probe: Assignment of the Absolute Configuration and Enantiomeric Excess of Amino Alcohols","Journal of the American Chemical Society","2009","131","","16360","16361","10.1021/ja907741v","","","0.71073","MoKα","","0.0351","0.0316","","","0.0784","0.081","","","","","","1.035","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105358","12.3733","0.0013","12.3733","0.0013","17.4603","0.0019","90","","90","","90","","2673.1","0.5","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C32 H34 N2 O4 -","- C32 H34 N2 O4 -","- C128 H136 N8 O16 -","4","0.5","","Marwan W. Ghosn; Christian Wolf","Chiral Amplification with a Stereodynamic Triaryl Probe: Assignment of the Absolute Configuration and Enantiomeric Excess of Amino Alcohols","Journal of the American Chemical Society","2009","131","","16360","16361","10.1021/ja907741v","","","0.71073","MoKα","","0.0945","0.0505","","","0.0741","0.0845","","","","","","1.043","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105359","11.1036","0.0009","12.5845","0.0011","20.5049","0.0017","90","","100.568","0.001","90","","2816.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H82 Br2 Mo N2 O2 Si -","- C59 H82 Br2 Mo N2 O2 Si -","- C118 H164 Br4 Mo2 N4 O4 Si2 -","2","1","","Simon J. Meek; Steven J. Malcolmson; Bo Li; Richard R. Schrock; Amir H. Hoveyda","The Significance of Degenerate Processes to Enantioselective Olefin Metathesis Reactions Promoted by Stereogenic-at-Mo Complexes","Journal of the American Chemical Society","2009","131","","16407","16409","10.1021/ja907805f","","","0.71073","MoKα","","0.0257","0.0237","","","0.0531","0.0535","","","","","","0.941","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105360","8.425","0.005","9.548","0.004","11.843","0.007","90","","108.59","0.06","90","","903","0.9","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rac-(1R,4S,6R)-4,6-Dimethyl-2-methylene-1,3-dithiane-1-oxide","","- C7 H12 O S2 -","- C7 H12 O S2 -","- C28 H48 O4 S8 -","4","1","","Roland Ulshöfer; Joachim Podlech","Stereoelectronic Effects in Vinyl Sulfoxides","Journal of the American Chemical Society","2009","131","","16618","16619","10.1021/ja904354g","","","0.71073","MoKα","","0.0354","0.0313","","","0.0803","0.0828","","","","","","1.031","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105361","9.669","","11.802","","10.02","","90","","111.59","","90","","1063.2","","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","rac-(1R,4S,6R)-4,6-Dimethyl-2-(propan-2-ylidene)-1,3-dithiane-1-oxide","","- C9 H16 O S2 -","- C9 H16 O S2 -","- C36 H64 O4 S8 -","4","1","","Roland Ulshöfer; Joachim Podlech","Stereoelectronic Effects in Vinyl Sulfoxides","Journal of the American Chemical Society","2009","131","","16618","16619","10.1021/ja904354g","","","0.71073","MoKα","","0.0483","0.0391","","","0.1175","0.122","","","","","","1.07","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105362","10.3288","0.0003","12.5828","0.0003","14.4276","0.0004","110.315","0.002","99.272","0.001","100.188","0.002","1679.67","0.08","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C39 H47 B N6 -","- C39 H47 B N6 -","- C78 H94 B2 N12 -","2","1","","Martyn P. Coles; Pedro J. Aragón-Sáez; Sarah H. Oakley; Peter B. Hitchcock; Matthew G. Davidson; Zvonimir B. Maksić; Robert Vianello; Ivo Leito; Ivari Kaljurand; David C. Apperley","Superbasicity of a Bis-guanidino Compound with a Flexible Linker: A Theoretical and Experimental Study","Journal of the American Chemical Society","2009","131","","16858","16868","10.1021/ja906618g","","x-ray","0.71073","MoKα","","0.0948","0.0622","","","0.1571","0.1796","","","","","","1.024","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105363","10.2719","0.0003","12.4868","0.0003","14.3087","0.0005","109.992","0.002","99.77","0.001","100.197","0.002","1644.02","0.09","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H47 B N6 -","- C38.994 H47 B N6 -","- C77.988 H94 B2 N12 -","2","1","","Martyn P. Coles; Pedro J. Aragón-Sáez; Sarah H. Oakley; Peter B. Hitchcock; Matthew G. Davidson; Zvonimir B. Maksić; Robert Vianello; Ivo Leito; Ivari Kaljurand; David C. Apperley","Superbasicity of a Bis-guanidino Compound with a Flexible Linker: A Theoretical and Experimental Study","Journal of the American Chemical Society","2009","131","","16858","16868","10.1021/ja906618g","","x-ray","0.71073","MoKα","","0.0613","0.0459","","","0.1269","0.1421","","","","","","1.052","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105364","10.174","0.0005","12.377","0.0007","14.195","0.0008","109.885","0.002","100.387","0.002","99.863","0.004","1600.23","0.16","50","2","50","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H47 B N6 -","- C38.994 H47 B N6 -","- C77.988 H94 B2 N12 -","2","1","","Martyn P. Coles; Pedro J. Aragón-Sáez; Sarah H. Oakley; Peter B. Hitchcock; Matthew G. Davidson; Zvonimir B. Maksić; Robert Vianello; Ivo Leito; Ivari Kaljurand; David C. Apperley","Superbasicity of a Bis-guanidino Compound with a Flexible Linker: A Theoretical and Experimental Study","Journal of the American Chemical Society","2009","131","","16858","16868","10.1021/ja906618g","","","0.71073","MoKα","","0.0825","0.0503","","","0.1197","0.135","","","","","","1.027","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105365","14.99","0.0001","14.99","0.0001","14.99","0.0001","63.763","","63.763","","63.763","","2579.48","0.03","173","2","173","2","","","","","","","","8","R -3 :R","-P 3*","148","","","","- C103 H90 Au6 B2 F8 N6 O3 P6 -","- C103 Au6 B2 F8 N6 O3 P6 -","- C103 Au6 B2 F8 N6 O3 P6 -","1","0.166667","","Jian-Hua Jia; Quan-Ming Wang","Intensely Luminescent Gold(I)-Silver(I) Cluster with Hypercoordinated Carbon","Journal of the American Chemical Society","2009","131","","16634","16635","10.1021/ja906695h","","","0.71073","MoKα","","0.0435","0.0267","","","0.0625","0.0645","","","","","","0.932","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105366","15.5515","0.0008","27.1485","0.0009","16.1075","0.0007","90","","114.276","0.005","90","","6199.2","0.5","223","2","223","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C107 H94 Ag2 Au6 B4 Cl8 F16 N6 O P6 -","- C107 H94 Ag2 Au6 B4 Cl8 F16 N6 O P6 -","- C214 H188 Ag4 Au12 B8 Cl16 F32 N12 O2 P12 -","2","0.5","","Jian-Hua Jia; Quan-Ming Wang","Intensely Luminescent Gold(I)-Silver(I) Cluster with Hypercoordinated Carbon","Journal of the American Chemical Society","2009","131","","16634","16635","10.1021/ja906695h","","","0.71073","MoKα","","0.1156","0.051","","","0.1066","0.1148","","","","","","0.901","","","","has coordinates","188980","2020-10-21","18:00:00",""
"4105367","6.7176","0.0013","12.24","0.002","7.1196","0.0014","90","","109.84","0.03","90","","550.7","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C26 H32 O4 -","2","1","","K. C. Nicolaou; Ang Li; David J. Edmonds; G. Scott Tria; Shelby P. Ellery","Total Synthesis of Platensimycin and Related Natural Products","Journal of the American Chemical Society","2009","131","","16905","16918","10.1021/ja9068003","","","0.71073","MoKα","","0.064","0.0484","","","0.0984","0.1061","","","","","","1.027","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105368","5.2036","0.001","13.466","0.003","30.421","0.006","90","","90","","90","","2131.7","0.8","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Br N2 O4 S -","- C21 H23 Br N2 O4 S -","- C84 H92 Br4 N8 O16 S4 -","4","1","","K. C. Nicolaou; Ang Li; David J. Edmonds; G. Scott Tria; Shelby P. Ellery","Total Synthesis of Platensimycin and Related Natural Products","Journal of the American Chemical Society","2009","131","","16905","16918","10.1021/ja9068003","","","0.71073","MoKα","","0.0784","0.0553","","","0.1078","0.1165","","","","","","1.071","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105369","6.1733","0.0006","11.7996","0.0014","22.9584","0.0018","90","","90","","90","","1672.3","0.3","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2S,6R)-6-(benzyloxymethyl)-2-isopropyl-5,5-dimethyl-1,3-dioxan-4-ol","","- C17 H26 O4 -","- C17 H26 O4 -","- C68 H104 O16 -","4","1","","Morris Markert; Ulf Scheffler; Rainer Mahrwald","Asymmetric Histidine-Catalyzed Cross-Aldol Reactions of Enolizable Aldehydes: Access to Defined Configured Quaternary Stereogenic Centers","Journal of the American Chemical Society","2009","131","","16642","16643","10.1021/ja907054y","","","1.54186","CuKα","","0.0814","0.075","","","0.1963","0.2023","","","","","","1.06","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105370","6.0434","0.0009","8.5691","0.001","10.8387","0.0015","90","","95.146","0.018","90","","559.04","0.13","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2- dimethylpropanal","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","1","","Morris Markert; Ulf Scheffler; Rainer Mahrwald","Asymmetric Histidine-Catalyzed Cross-Aldol Reactions of Enolizable Aldehydes: Access to Defined Configured Quaternary Stereogenic Centers","Journal of the American Chemical Society","2009","131","","16642","16643","10.1021/ja907054y","","","0.71073","MoKα","","0.0305","0.0297","","","0.0767","0.0772","","","","","","1.055","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105371","9.8337","0.0013","9.8337","0.0013","5.9948","0.0007","90","","90","","120","","502.04","0.11","180","2","180","2","","","","","","","","3","P 32","P 32","145","","(S)-3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one","","- C6 H10 O3 -","- C6 H10 O3 -","- C18 H30 O9 -","3","1","","Morris Markert; Ulf Scheffler; Rainer Mahrwald","Asymmetric Histidine-Catalyzed Cross-Aldol Reactions of Enolizable Aldehydes: Access to Defined Configured Quaternary Stereogenic Centers","Journal of the American Chemical Society","2009","131","","16642","16643","10.1021/ja907054y","","","0.71073","MoKα","","0.0319","0.0256","","","0.0469","0.0479","","","","","","0.967","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105372","8.0425","0.0013","6.6274","0.0008","25.446","0.005","90","","93.479","0.014","90","","1353.8","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-((R)-2,2-dimethyl-1,3-dioxalan-4-yl)((S)-4-(hydroxymethyl)2,2- dimethyl-1,3-dioxolan-4-yl)methanol","","- C12 H22 O6 -","- C12 H22 O6 -","- C48 H88 O24 -","4","2","","Morris Markert; Ulf Scheffler; Rainer Mahrwald","Asymmetric Histidine-Catalyzed Cross-Aldol Reactions of Enolizable Aldehydes: Access to Defined Configured Quaternary Stereogenic Centers","Journal of the American Chemical Society","2009","131","","16642","16643","10.1021/ja907054y","","","0.71073","MoKα","","0.1142","0.0883","","","0.2102","0.2329","","","","","","0.993","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105373","9.5917","0.0004","13.0319","0.0005","10.8481","0.0004","90","","96.686","0.003","90","","1346.77","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Au(Etthiazdt)2NEt4","","","- C36 H60 Au2 N6 S16 -","- C36 H60 Au2 N6 S16 -","- C36 H60 Au2 N6 S16 -","1","0.25","","Nadine Tenn; Nathalie Bellec; Olivier Jeannin; Lidia Piekara-Sady; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","A Single-Component Molecular Metal Based on a Thiazole Dithiolate Gold Complex","Journal of the American Chemical Society","2009","131","","16961","16967","10.1021/ja907426s","","","0.71073","MoKα","","0.0714","0.0383","","","0.072","0.0813","","","","","","1.072","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105374","14.06","0.002","4.0593","0.0006","14.259","0.002","90","","93.524","0.005","90","","812.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","AuEtthiazdt2neutral","","","- C10 H10 Au N2 S8 -","- C10 H10 Au N2 S8 -","- C20 H20 Au2 N4 S16 -","2","0.5","","Nadine Tenn; Nathalie Bellec; Olivier Jeannin; Lidia Piekara-Sady; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","A Single-Component Molecular Metal Based on a Thiazole Dithiolate Gold Complex","Journal of the American Chemical Society","2009","131","","16961","16967","10.1021/ja907426s","","","0.71073","MoKα","","0.0421","0.0322","","","0.0664","0.0702","","","","","","1.061","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105375","13.4659","0.0012","11.5349","0.0011","14.053","0.0013","90","","109.123","0.001","90","","2062.4","0.3","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 As2 F6 O6 P S2 -","- C9 H21 As2 F6 O6 P S2 -","- C36 H84 As8 F24 O24 P4 S8 -","4","1","","Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Phosphinopnictonium Cations: High Yield and General Preparative Procedures for New Interpnictogen Frameworks Exploiting As→P and Sb→P Coordinate Bonds","Journal of the American Chemical Society","2009","131","","17000","17008","10.1021/ja907613c","","","0.71073","MoKα","","0.0368","0.0283","","","0.0707","0.0748","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105376","11.7585","0.0008","12.8289","0.0009","12.9423","0.0009","90","","96.48","0.001","90","","1939.9","0.2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 As F3 O3 P S -","- C16 H19 As F3 O3 P S -","- C64 H76 As4 F12 O12 P4 S4 -","4","1","","Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Phosphinopnictonium Cations: High Yield and General Preparative Procedures for New Interpnictogen Frameworks Exploiting As→P and Sb→P Coordinate Bonds","Journal of the American Chemical Society","2009","131","","17000","17008","10.1021/ja907613c","","","0.71073","MoKα","","0.0428","0.0335","","","0.0838","0.0889","","","","","","1.044","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105377","28.143","0.004","15.696","0.002","11.3857","0.0015","90","","97.8153","0.0017","90","","4982.7","1.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Al2 As2 Cl8 P2 -","- C18 H28 Al2 As2 Cl8 P2 -","- C108 H168 Al12 As12 Cl48 P12 -","6","1.5","","Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Phosphinopnictonium Cations: High Yield and General Preparative Procedures for New Interpnictogen Frameworks Exploiting As→P and Sb→P Coordinate Bonds","Journal of the American Chemical Society","2009","131","","17000","17008","10.1021/ja907613c","","","0.71073","MoKα","","0.0586","0.0425","","","0.1026","0.1104","","","","","","1.047","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105378","20.132","0.003","14.311","0.0018","15.4865","0.0019","90","","101.167","0.0018","90","","4377.3","1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 Al2 As2 Cl8 P -","- C37 H33 Al2 As2 Cl8 P -","- C148 H132 Al8 As8 Cl32 P4 -","4","1","","Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Phosphinopnictonium Cations: High Yield and General Preparative Procedures for New Interpnictogen Frameworks Exploiting As→P and Sb→P Coordinate Bonds","Journal of the American Chemical Society","2009","131","","17000","17008","10.1021/ja907613c","","","0.71073","MoKα","","0.0505","0.0376","","","0.0898","0.0978","","","","","","1.049","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105379","11.327","0.003","11.345","0.003","20.433","0.006","90.271","0.004","98.929","0.004","90.595","0.004","2593.7","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Al2 As2 Cl8 P2 -","- C48 H40 Al2 As2 Cl8 P2 -","- C96 H80 Al4 As4 Cl16 P4 -","2","1","","Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Phosphinopnictonium Cations: High Yield and General Preparative Procedures for New Interpnictogen Frameworks Exploiting As→P and Sb→P Coordinate Bonds","Journal of the American Chemical Society","2009","131","","17000","17008","10.1021/ja907613c","","","0.71073","MoKα","","0.1012","0.0813","","","0.2232","0.2448","","","","","","1.066","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105380","10.142","0.002","11.858","0.003","22.81","0.005","81.329","0.003","79.316","0.003","85.433","0.003","2661.1","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H46 Al2 Cl10 P2 Sb2 -","- C43 H46 Al2 Cl10 P2 Sb2 -","- C86 H92 Al4 Cl20 P4 Sb4 -","2","1","","Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Phosphinopnictonium Cations: High Yield and General Preparative Procedures for New Interpnictogen Frameworks Exploiting As→P and Sb→P Coordinate Bonds","Journal of the American Chemical Society","2009","131","","17000","17008","10.1021/ja907613c","","","0.71073","MoKα","","0.1088","0.0861","","","0.1988","0.2094","","","","","","1.208","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105381","11.5699","0.0005","10.866","0.0005","21.0827","0.0009","90","","101.329","0.001","90","","2598.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Al2 Cl8 P2 Sb2 -","- C48 H40 Al2 Cl8 P2 Sb2 -","- C96 H80 Al4 Cl16 P4 Sb4 -","2","0.5","","Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Phosphinopnictonium Cations: High Yield and General Preparative Procedures for New Interpnictogen Frameworks Exploiting As→P and Sb→P Coordinate Bonds","Journal of the American Chemical Society","2009","131","","17000","17008","10.1021/ja907613c","","","0.71073","MoKα","","0.026","0.0232","","","0.0596","0.062","","","","","","1.044","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105382","17.312","0.003","12.0841","0.0018","13.904","0.002","90","","111.917","0.002","90","","2698.5","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'Potassium uranyl peroxide oxalate hydrate","","- C8 K6 O26 U2 -","- C8 K6 O26 U2 -","- C32 K24 O104 U8 -","4","1","","Ginger E. Sigmon; Jie Ling; Daniel K. Unruh; Laura Moore-Shay; Matthew Ward; Brittany Weaver; Peter C. Burns","Uranyl-Peroxide Interactions Favor Nanocluster Self-Assembly","Journal of the American Chemical Society","2009","131","","16648","16649","10.1021/ja907837u","","","0.71073","MoKα","","0.0613","0.0366","","","0.0722","0.0818","","","","","","0.999","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105383","18.625","0.003","26.652","0.004","15.66","0.002","90","","90","","90","","7774","2","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sodium uranyl peroxide oxalate hydrate","","- C12 Na12 O77 U6 -","- C12 Na12 O77 U6 -","- C48 Na48 O308 U24 -","4","0.5","","Ginger E. Sigmon; Jie Ling; Daniel K. Unruh; Laura Moore-Shay; Matthew Ward; Brittany Weaver; Peter C. Burns","Uranyl-Peroxide Interactions Favor Nanocluster Self-Assembly","Journal of the American Chemical Society","2009","131","","16648","16649","10.1021/ja907837u","","","0.71073","MoKα","","0.0912","0.0643","","","0.1678","0.1864","","","","","","1.052","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105384","10.2949","0.0007","19.5235","0.0014","27.0032","0.0019","90","","90","","90","","5427.4","0.7","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium uranyl peroxide oxalate hydrate","","- C10 K10 O53 U5 -","- C10 K10 O53 U5 -","- C40 K40 O212 U20 -","4","0.5","","Ginger E. Sigmon; Jie Ling; Daniel K. Unruh; Laura Moore-Shay; Matthew Ward; Brittany Weaver; Peter C. Burns","Uranyl-Peroxide Interactions Favor Nanocluster Self-Assembly","Journal of the American Chemical Society","2009","131","","16648","16649","10.1021/ja907837u","","","0.71073","MoKα","","0.0423","0.0287","","","0.0759","0.0787","","","","","","0.95","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105385","34.939","0.013","19.099","0.007","35.944","0.013","90","","113.625","0.008","90","","21975","14","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Sodium tetraproply uranyl peroxide","","- C108 H234 N9 Na11.2 O109 U20 -","- C108 N9 Na11.19 O108 U20 -","- C432 N36 Na44.76 O432 U80 -","4","1","","Ginger E. Sigmon; Jie Ling; Daniel K. Unruh; Laura Moore-Shay; Matthew Ward; Brittany Weaver; Peter C. Burns","Uranyl-Peroxide Interactions Favor Nanocluster Self-Assembly","Journal of the American Chemical Society","2009","131","","16648","16649","10.1021/ja907837u","","","0.71073","MoKα","","0.1299","0.0641","","","0.1427","0.1784","","","","","","1.037","","","","has coordinates","289268","2024-02-02","08:58:43",""
"4105386","8.941","0.003","27.929","0.009","16.334","0.005","90","","105.848","0.008","90","","3924","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H74 Cl8 N10 Ni2 O8 S2 -","- C74 H74 Cl8 N10 Ni2 O8 S2 -","- C148 H148 Cl16 N20 Ni4 O16 S4 -","2","1","","Xiang Liu; James A. Henderson; Takeo Sasaki; Yoshito Kishi","Dramatic Improvement in Catalyst Loadings and Molar Ratios of Coupling Partners for Ni/Cr-Mediated Coupling Reactions: Heterobimetallic Catalysts","Journal of the American Chemical Society","2009","131","","16678","16680","10.1021/ja9079308","","","0.71073","MoKα","","0.1567","0.0793","","","0.1646","0.1854","","","","","","1.018","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105387","12.0047","0.0004","12.0319","0.0004","17.332","0.0006","90.282","0.002","94.171","0.004","101.03","0.002","2450.22","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H74 Li4 N6 Ti2 -","- C49 H74 Li4 N6 Ti2 -","- C98 H148 Li8 N12 Ti4 -","2","1","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","0.71073","MoKα","","0.0745","0.0331","","","0.0506","0.0537","","","","","","0.764","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105388","20.9957","0.0004","7.9976","0.0002","12.6211","0.0002","90","","90","","90","","2119.27","0.07","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H34 Li N3 Ti -","- C21 H34 Li N3 Ti -","- C84 H136 Li4 N12 Ti4 -","4","1","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","1.54184","CuKα","","0.0282","0.0272","","","0.0725","0.0731","","","","","","1.092","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105389","31.9896","0.0004","10.02607","0.0001","17.1398","0.0002","90","","107.582","0.0012","90","","5240.45","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 Mo O5 P Ti -","- C29 H21 Mo O5 P Ti -","- C232 H168 Mo8 O40 P8 Ti8 -","8","1","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","0.71073","MoKα","","0.0334","0.0208","","","0.0419","0.0429","","","","","","0.879","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105390","10.2073","0.0002","13.3413","0.0002","18.5216","0.0004","90","","91.036","0.002","90","","2521.83","0.08","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H29 Au Cl O P Ti -","- C28 H29 Au Cl O P Ti -","- C112 H116 Au4 Cl4 O4 P4 Ti4 -","4","2","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","1.54184","CuKα","","0.0669","0.0606","","","0.1445","0.1495","","","","","","1.033","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105391","25.8727","0.001","8.2464","0.0002","20.6849","0.0008","90","","118.242","0.004","90","","3887.9","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 Au Cl P2 Ti2 -","- C48 H42 Au Cl P2 Ti2 -","- C192 H168 Au4 Cl4 P8 Ti8 -","4","0.5","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","0.71073","MoKα","","0.0362","0.0261","","","0.0524","0.0531","","","","","","0.927","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105392","10.38647","0.00014","13.1253","0.0002","22.924","0.0003","90","","90","","90","","3125.13","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H30 Cl2 P2 Pt Ti -","- C36 H30 Cl2 P2 Pt Ti -","- C144 H120 Cl8 P8 Pt4 Ti4 -","4","1","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","0.71073","MoKα","","0.0426","0.0299","","","0.0331","0.0337","","","","","","0.887","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105393","11.4048","0.0003","15.3408","0.0004","14.5731","0.0005","90","","98.262","0.003","90","","2523.23","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H48 Cl8 P2 Pt Ti2 -","- C51 H48 Cl8 P2 Pt Ti2 -","- C102 H96 Cl16 P4 Pt2 Ti4 -","2","0.5","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","0.71073","MoKα","","0.063","0.0303","","","0.0524","0.0547","","","","","","0.817","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105394","10.0746","0.0006","10.5051","0.001","12.4587","0.0008","114.28","0.008","92.36","0.006","103.396","0.006","1155.31","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 Cl6 P2 Pt Ti2 -","- C50 H46 Cl6 P2 Pt Ti2 -","- C50 H46 Cl6 P2 Pt Ti2 -","1","0.5","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","0.71073","MoKα","","0.0289","0.0242","","","0.0389","0.0394","","","","","","0.879","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105395","6.598","0.0013","10.743","0.002","26.511","0.005","90","","90","","90","","1879.2","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br O5 -","- C20 H21 Br O5 -","- C80 H84 Br4 O20 -","4","1","","Pingfan Li; Hisashi Yamamoto","Lewis Acid Catalyzed Inverse-Electron-Demand Diels-Alder Reaction of Tropones","Journal of the American Chemical Society","2009","131","","16628","16629","10.1021/ja908127f","","","0.71073","MoKα","","0.0433","0.0361","","","0.0691","0.0705","","","","","","0.908","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105396","6.296","0.0013","6.743","0.0014","9.347","0.002","95.088","0.003","93.518","0.003","91.218","0.004","394.37","0.14","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C18 H14 Br2 O4 -","2","2","","Pingfan Li; Hisashi Yamamoto","Lewis Acid Catalyzed Inverse-Electron-Demand Diels-Alder Reaction of Tropones","Journal of the American Chemical Society","2009","131","","16628","16629","10.1021/ja908127f","","","0.71073","MoKα","","0.0421","0.0366","","","0.0857","0.0874","","","","","","1.016","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105397","7.1229","0.0004","7.75","0.0004","11.403","0.0007","90","","90","","90","","629.47","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-{(μ2-Chloro)-(μ2-dioxane-O,O')-lithium(i)}","","- C4 H8 Cl Li O2 -","- C4 H8 Cl Li O2 -","- C16 H32 Cl4 Li4 O8 -","4","1","","Liqun Jin; Chao Liu; Jing Liu; Fang Hu; Yu Lan; Andrei S. Batsanov; Judith A. K. Howard; Todd B. Marder; Aiwen Lei","Revelation of the Difference between Arylzinc Reagents Prepared from Aryl Grignard and Aryllithium Reagents Respectively: Kinetic and Structural Features","Journal of the American Chemical Society","2009","131","","16656","16657","10.1021/ja908198d","","","0.71073","MoKα","","0.0211","0.0201","","","0.0518","0.0523","","","","","","1.06","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105398","14.863","0.002","10.4843","0.0017","16.936","0.003","90","","100.13","0.03","90","","2598","0.8","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21.42 H36.51 Br0.65 Cl2.44 Mg O4 Zn -","- C21.364 H36.47 Br0.664 Cl2.442 Mg O4 Zn -","- C85.456 H145.88 Br2.656 Cl9.768 Mg4 O16 Zn4 -","4","1","","Liqun Jin; Chao Liu; Jing Liu; Fang Hu; Yu Lan; Andrei S. Batsanov; Judith A. K. Howard; Todd B. Marder; Aiwen Lei","Revelation of the Difference between Arylzinc Reagents Prepared from Aryl Grignard and Aryllithium Reagents Respectively: Kinetic and Structural Features","Journal of the American Chemical Society","2009","131","","16656","16657","10.1021/ja908198d","","","0.71073","MoKα","","0.1915","0.0754","","","0.1502","0.1921","","","","","","1.003","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105399","10.5223","0.0008","13.2057","0.001","19.7516","0.0015","103.955","0.001","101.557","0.001","100.116","0.001","2536.1","0.3","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H33 Cl2 F6 N7 O Zn -","- C56 H33 Cl2 F6 N7 O Zn -","- C112 H66 Cl4 F12 N14 O2 Zn2 -","2","1","","Timothy C. Berto; V. K. K. Praneeth; Lauren E. Goodrich; Nicolai Lehnert","Iron-Porphyrin NO Complexes with Covalently Attached N-Donor Ligands: Formation of a Stable Six-Coordinate Species in Solution","Journal of the American Chemical Society","2009","131","","17116","17126","10.1021/ja904368n","","","0.71073","MoKα","","0.0778","0.057","","","0.163","0.177","","","","","","1.075","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105400","18.935","0.004","7.047","0.0014","13.304","0.003","90","","123.92","0.03","90","","1473.1","0.7","20","0.1","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H25 O2.5 -","- C18 H25 O2.5 -","- C72 H100 O10 -","4","1","","Elizabeth A. Zhurova; Vladimir V. Zhurov; Deepak Chopra; Adam I. Stash; A. Alan Pinkerton","17α-Estradiol.1/2 H2O: Super-Structural Ordering, Electronic Properties, Chemical Bonding, and Biological Activity in Comparison with Other Estrogens","Journal of the American Chemical Society","2009","131","","17260","17269","10.1021/ja906057z","","","0.71073","MoKα","","","0.0174","","","","0.01","","","","","","1.0302","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105401","8.7557","0.0004","11.6162","0.0005","23.5245","0.0011","85.6293","0.0016","80.2264","0.0018","88.77","0.002","2350.96","0.18","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H78 O4 Si2 -","- C46 H78 O4 Si2 -","- C92 H156 O8 Si4 -","2","1","","Tanmoy Dutta; Kathy B. Woody; Sean R. Parkin; Mark D. Watson; Johannes Gierschner","Conjugated Polymers with Large Effective Stokes Shift: Benzobisdioxole-Based Poly(phenylene ethynylene)s","Journal of the American Chemical Society","2009","131","","17321","17327","10.1021/ja9068134","","","0.71073","MoKα","","0.1369","0.1028","","","0.2535","0.2766","","","","","","1.092","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105402","12.9491","0.0005","21.29","0.0006","11.6829","0.0005","90","","90","","90","","3220.8","0.2","100","2","100","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C18 H12 Cd N2 O4 -","- C18 H12 Cd N2 O4 -","- C72 H48 Cd4 N8 O16 -","4","0.5","","JianJun Zhang; Lukasz Wojtas; Randy W. Larsen; Mohamed Eddaoudi; Michael J. Zaworotko","Temperature and Concentration Control over Interpenetration in a Metal-Organic Material","Journal of the American Chemical Society","2009","131","","17040","17041","10.1021/ja906911q","","","1.54178","CuKα","","0.057","0.0428","","","0.1033","0.1081","","","","","","1.019","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105403","13.0941","0.0019","14.506","0.002","19.684","0.003","95.217","0.002","90.019","0.002","95.349","0.002","3707","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.38 H32.75 Cl4.75 N2 O8 Pd2 -","- C32.375 H32.75 Cl4.75 N2 O8 Pd2 -","- C129.5 H131 Cl19 N8 O32 Pd8 -","4","2","","David C. Powers; Matthias A. L. Geibel; Johannes E. M. N. Klein; Tobias Ritter","Bimetallic Palladium Catalysis: Direct Observation of Pd(III)-Pd(III) Intermediates","Journal of the American Chemical Society","2009","131","","17050","17051","10.1021/ja906935c","","","0.71073","MoKα","","0.0608","0.0433","","","0.0916","0.1012","","","","","","1.047","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105404","9.5836","0.0008","12.2635","0.0008","18.164","0.002","90","0.004","90","0.004","90","0.003","2134.8","0.3","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Kazuyuki Matsumura; Tadashi Mori; Yoshihisa Inoue","Wavelength Control of Diastereodifferentiating Paternó-Büchi Reaction of Chiral Cyanobenzoates with Diphenylethene through Direct versus Charge-Transfer Excitation","Journal of the American Chemical Society","2009","131","","17076","17077","10.1021/ja907156j","","","0.7107","MoKα","","","0.085","","","","0.082","","","","","","1.386","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105405","16.083","0.003","18.405","0.004","20.111","0.004","102.564","0.01","99.4","0.01","91.116","0.011","5723","2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- Ce2.5 H12 K N0.5 O82 Ru4 Si2 W20 -","- Ce3 O123.5 Ru4 Si2 W20 -","- Ce6 O247 Ru8 Si4 W40 -","2","1","","Yurii V. Geletii; Claire Besson; Yu Hou; Qiushi Yin; Djamaladdin G. Musaev; David Quiñonero; Rui Cao; Kenneth I. Hardcastle; Anna Proust; Paul Kögerler; Craig L. Hill","Structural, Physicochemical, and Reactivity Properties of an All-Inorganic, Highly Active Tetraruthenium Homogeneous Catalyst for Water Oxidation","Journal of the American Chemical Society","2009","131","","17360","17370","10.1021/ja907277b","","","0.71073","MoKα","","0.0634","0.0541","","","0.1867","0.1961","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105406","14.7305","0.0008","19.6144","0.0009","20.8418","0.001","100.745","0.003","99.569","0.003","94.958","0.003","5790.9","0.5","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C16 H78 Cl4 K2 N8 O82 Ru4 Si2 W20 -","- C2 Cl4 K2 N O82 Ru4 Si2 W20 -","- C4 Cl8 K4 N2 O164 Ru8 Si4 W40 -","2","1","","Yurii V. Geletii; Claire Besson; Yu Hou; Qiushi Yin; Djamaladdin G. Musaev; David Quiñonero; Rui Cao; Kenneth I. Hardcastle; Anna Proust; Paul Kögerler; Craig L. Hill","Structural, Physicochemical, and Reactivity Properties of an All-Inorganic, Highly Active Tetraruthenium Homogeneous Catalyst for Water Oxidation","Journal of the American Chemical Society","2009","131","","17360","17370","10.1021/ja907277b","","","0.71073","MoKα","","0.1799","0.0897","","","0.2436","0.3063","","","","","","1.015","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105407","8.631","0.0003","11.245","0.0003","12.1742","0.0004","99.8602","0.0003","104.289","0.0003","99.05","0.0003","1103.19","0.06","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H74 Si4 U2 -","- C40 H74 Si4 U2 -","- C40 H74 Si4 U2 -","1","0.5","","William J. Evans; Christopher A. Traina; Joseph W. Ziller","Synthesis of Heteroleptic Uranium (μ-η6:η6-C6H6)2- Sandwich Complexes via Facile Displacement of (η5-C5Me5)1- by Ligands of Lower Hapticity and Their Conversion to Heteroleptic Bis(imido) Compounds","Journal of the American Chemical Society","2009","131","","17473","17481","10.1021/ja9075259","","","0.71073","MoKα","","0.0138","0.0132","","","0.0327","0.0329","","","","","","1.045","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105408","11.0169","0.0017","17.007","0.003","13.543","0.002","90","","90.3839","0.0019","90","","2537.4","0.7","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H82 O2 U2 -","- C56 H82 O2 U2 -","- C112 H164 O4 U4 -","2","0.5","","William J. Evans; Christopher A. Traina; Joseph W. Ziller","Synthesis of Heteroleptic Uranium (μ-η6:η6-C6H6)2- Sandwich Complexes via Facile Displacement of (η5-C5Me5)1- by Ligands of Lower Hapticity and Their Conversion to Heteroleptic Bis(imido) Compounds","Journal of the American Chemical Society","2009","131","","17473","17481","10.1021/ja9075259","","","0.71073","MoKα","","0.0649","0.0552","","","0.1362","0.145","","","","","","1.22","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105409","9.938","0.0007","10.8469","0.0008","20.2681","0.0019","92.82","0.001","91.435","0.001","116.534","0.001","1949.6","0.3","148","2","148","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H69 N4 U -","- C41 H69 N4 U -","- C82 H138 N8 U2 -","2","1","","William J. Evans; Christopher A. Traina; Joseph W. Ziller","Synthesis of Heteroleptic Uranium (μ-η6:η6-C6H6)2- Sandwich Complexes via Facile Displacement of (η5-C5Me5)1- by Ligands of Lower Hapticity and Their Conversion to Heteroleptic Bis(imido) Compounds","Journal of the American Chemical Society","2009","131","","17473","17481","10.1021/ja9075259","","","0.71073","MoKα","","0.0169","0.0159","","","0.0389","0.0393","","","","","","1.044","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105410","9.9011","0.0006","13.3585","0.0008","15.3247","0.0009","84.6455","0.0007","80.706","0.0007","80.4456","0.0007","1967.9","0.2","88","2","88","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H59 N2 U -","- C40 H59 N2 U -","- C80 H118 N4 U2 -","2","1","","William J. Evans; Christopher A. Traina; Joseph W. Ziller","Synthesis of Heteroleptic Uranium (μ-η6:η6-C6H6)2- Sandwich Complexes via Facile Displacement of (η5-C5Me5)1- by Ligands of Lower Hapticity and Their Conversion to Heteroleptic Bis(imido) Compounds","Journal of the American Chemical Society","2009","131","","17473","17481","10.1021/ja9075259","","","0.71073","MoKα","","0.0273","0.0261","","","0.076","0.0767","","","","","","1.125","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105411","13.5148","0.0007","18.2529","0.0009","19.2967","0.001","90","","90.0839","0.0007","90","","4760.2","0.4","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H79 N5 Si2 U -","- C47 H79 N5 Si2 U -","- C188 H316 N20 Si8 U4 -","4","1","","William J. Evans; Christopher A. Traina; Joseph W. Ziller","Synthesis of Heteroleptic Uranium (μ-η6:η6-C6H6)2- Sandwich Complexes via Facile Displacement of (η5-C5Me5)1- by Ligands of Lower Hapticity and Their Conversion to Heteroleptic Bis(imido) Compounds","Journal of the American Chemical Society","2009","131","","17473","17481","10.1021/ja9075259","","","0.71073","MoKα","","0.0637","0.0452","","","0.1052","0.1128","","","","","","1.042","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105412","4.1182","0.0008","14.193","0.003","29.071","0.006","90","","90","","90","","1699.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br O3 -","- C21 H15 Br O3 -","- C84 H60 Br4 O12 -","4","1","","Xingwei Guo; Rong Yu; Haijun Li; Zhiping Li","Iron-Catalyzed Tandem Oxidative Coupling and Annulation: An Efficient Approach to Construct Polysubstituted Benzofurans","Journal of the American Chemical Society","2009","131","","17387","17393","10.1021/ja907568j","","","0.71073","MoKα","","0.1377","0.0375","","","0.0473","0.0581","","","","","","0.657","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105413","9.562","0.005","10.587","0.004","15.491","0.007","96.133","0.006","107.6","0.005","90.475","0.009","1484.9","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H54 Li2 N4 Si2 -","- C22 H54 Li2 N4 Si2 -","- C44 H108 Li4 N8 Si4 -","2","1","","Christian Unkelbach; Carsten Strohmann","Low-Temperature Addition of Organolithiums to Functionalized Vinylsilanes under Formation of Secondary α-Lithiated Alkylsilanes","Journal of the American Chemical Society","2009","131","","17044","17045","10.1021/ja9076167","","","0.71073","MoKα","","0.0776","0.0633","","","0.132","0.1404","","","","","","1.011","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105414","8.803","0.005","9.319","0.004","12.224","0.004","82.89","0.04","86.29","0.05","71.87","0.06","945.3","0.8","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H34 Li N3 Si -","- C14 H34 Li N3 Si -","- C28 H68 Li2 N6 Si2 -","2","1","","Christian Unkelbach; Carsten Strohmann","Low-Temperature Addition of Organolithiums to Functionalized Vinylsilanes under Formation of Secondary α-Lithiated Alkylsilanes","Journal of the American Chemical Society","2009","131","","17044","17045","10.1021/ja9076167","","","0.71073","MoKα","","0.0808","0.0639","","","0.1867","0.1983","","","","","","1.089","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105415","5.1754","0.0004","10.9294","0.0008","10.9423","0.0008","118.826","0.004","91.381","0.005","99.872","0.004","530.11","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF22 4-pyridyl-CONH-(CH2)6)-NHCO-(4-pyridyl), succinic acid CHUNKS","","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","1","0.5","","Christer B. Aakeröy; Safiyyah Forbes; John Desper","Using Cocrystals To Systematically Modulate Aqueous Solubility and Melting Behavior of an Anticancer Drug","Journal of the American Chemical Society","2009","131","","17048","17049","10.1021/ja907674c","","","0.71073","MoKα","","0.0993","0.0605","","","0.1509","0.1761","","","","","","1.063","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105416","5.1412","0.0004","5.2394","0.0004","21.3961","0.0017","95.094","0.005","95.603","0.004","91.076","0.005","571.1","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 2 4-pyridyl-CONH-(CH2)6-NHCO-4-pyridyl, HOOC-(CH2)4-COOH","","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","1","0.5","","Christer B. Aakeröy; Safiyyah Forbes; John Desper","Using Cocrystals To Systematically Modulate Aqueous Solubility and Melting Behavior of an Anticancer Drug","Journal of the American Chemical Society","2009","131","","17048","17049","10.1021/ja907674c","","","0.71073","MoKα","","0.0691","0.047","","","0.1167","0.1293","","","","","","1.095","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105417","5.1392","0.0005","5.2412","0.0005","23.145","0.002","94.05","0.003","95.222","0.002","91.277","0.002","619.03","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF21 N,N'-(isonicotinyl)hexanediamine, octanedioic acid","","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","1","0.5","","Christer B. Aakeröy; Safiyyah Forbes; John Desper","Using Cocrystals To Systematically Modulate Aqueous Solubility and Melting Behavior of an Anticancer Drug","Journal of the American Chemical Society","2009","131","","17048","17049","10.1021/ja907674c","","","0.71073","MoKα","","0.0424","0.0372","","","0.1086","0.1137","","","","","","1.09","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105418","5.1506","0.0004","5.2481","0.0004","24.5206","0.0016","89.647","0.004","87.252","0.004","88.505","0.005","661.82","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF3 (4-pyridyl)-CONH-(CH2)6-NHCO-(4-pyridyl), HOOC-(CH2)8-COOH","","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","1","0.5","","Christer B. Aakeröy; Safiyyah Forbes; John Desper","Using Cocrystals To Systematically Modulate Aqueous Solubility and Melting Behavior of an Anticancer Drug","Journal of the American Chemical Society","2009","131","","17048","17049","10.1021/ja907674c","","","0.71073","MoKα","","0.0827","0.0493","","","0.1271","0.142","","","","","","1.057","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105419","5.1519","0.0004","5.2778","0.0005","26.148","0.003","86.023","0.006","89.386","0.006","88.496","0.006","709","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF5 (4-pyridyl)-CONH-(CH2)6-NHCO-(4-pyridyl), HOOC-(CH2)10-COOH","","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","1","0.5","","Christer B. Aakeröy; Safiyyah Forbes; John Desper","Using Cocrystals To Systematically Modulate Aqueous Solubility and Melting Behavior of an Anticancer Drug","Journal of the American Chemical Society","2009","131","","17048","17049","10.1021/ja907674c","","","0.71073","MoKα","","0.1159","0.065","","","0.1632","0.1937","","","","","","1.042","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105420","6.1709","0.0006","6.1709","0.0006","11.77","0.002","90","","90","","120","","388.15","0.08","173","2","173","2","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- In0.37 Mn0.63 O3 Y -","- In0.37 Mn0.63 O3 Y -","- In2.22 Mn3.78 O18 Y6 -","6","0.5","","Andrew E. Smith; Hiroshi Mizoguchi; Kris Delaney; Nicola A. Spaldin; Arthur W. Sleight; M. A. Subramanian","Mn3+ in Trigonal Bipyramidal Coordination: A New Blue Chromophore","Journal of the American Chemical Society","2009","131","","17084","17086","10.1021/ja9080666","","","0.71073","MoKα","","0.028","0.0211","","","0.0389","0.0421","","","","","","1.149","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105421","10.073","0.001","14.0253","0.0012","26.088","0.003","90","","95.919","0.007","90","","3666","0.6","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 O3 -","- C20 H36 O3 -","- C160 H288 O24 -","8","2","","Thomas J. Maimone; Jun Shi; Shinji Ashida; Phil S. Baran","Total Synthesis of Vinigrol","Journal of the American Chemical Society","2009","131","","17066","17067","10.1021/ja908194b","","","","","","","","","","","","","","","","","","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105422","7.882","0.0012","13.881","0.002","31.693","0.005","90","","90","","90","","3467.5","0.9","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Br N O2 -","- C19 H26 Br N O2 -","- C152 H208 Br8 N8 O16 -","8","1","","Thomas J. Maimone; Jun Shi; Shinji Ashida; Phil S. Baran","Total Synthesis of Vinigrol","Journal of the American Chemical Society","2009","131","","17066","17067","10.1021/ja908194b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105423","8.73624","0.00016","11.8091","0.0002","12.2419","0.0002","90","","90","","90","","1262.96","0.04","98.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Tatsuhiko Yoshino; Hiroyuki Morimoto; Gang Lu; Shigeki Matsunaga; Masakatsu Shibasaki","Construction of Contiguous Tetrasubstituted Chiral Carbon Stereocenters via Direct Catalytic Asymmetric Aldol Reaction of α-Isothiocyanato Esters with Ketones","Journal of the American Chemical Society","2009","131","","17082","17083","10.1021/ja908571w","","","1.54187","CuKα","","","0.0384","","","","0.1118","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105424","12.3808","0.0004","12.3808","0.0004","32.558","0.002","90","","90","","90","","4990.6","0.4","150","2","150","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C40 H46 Ag2 F6 N10 O8 S2 -","- C38 H46 Ag2 N10 O2 -","- C152 H184 Ag8 N40 O8 -","4","0.5","","Lei-lei Tian; Chun Wang; Sandipan Dawn; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Macrocycles with Switchable exo/endo Metal Binding Sites","Journal of the American Chemical Society","2009","131","","17620","17629","10.1021/ja906474z","","","0.71073","MoKα","","0.0648","0.0513","","","0.1182","0.1241","","","","","","0.988","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105425","8.4446","0.0005","10.3582","0.0006","13.2736","0.0008","90","","105.44","0.001","90","","1119.15","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N8 O2 -","- C26 H24 N8 O2 -","- C52 H48 N16 O4 -","2","0.5","","Lei-lei Tian; Chun Wang; Sandipan Dawn; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Macrocycles with Switchable exo/endo Metal Binding Sites","Journal of the American Chemical Society","2009","131","","17620","17629","10.1021/ja906474z","","","0.71073","MoKα","","0.04","0.0342","","","0.0896","0.093","","","","","","1.057","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105426","11.8857","0.0005","15.0339","0.0007","13.5999","0.0006","90","","101.561","0.001","90","","2380.84","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54.6 Cl7.4 N10 O2.3 -","- C42 H53.4 Cl7.4 N10 O2.3 -","- C84 H106.8 Cl14.8 N20 O4.6 -","2","0.5","","Lei-lei Tian; Chun Wang; Sandipan Dawn; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Macrocycles with Switchable exo/endo Metal Binding Sites","Journal of the American Chemical Society","2009","131","","17620","17629","10.1021/ja906474z","","","0.71073","MoKα","","0.0503","0.0448","","","0.1165","0.1218","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105427","9.443","0.0008","21.3341","0.0018","27.253","0.002","90","","90","","90","","5490.3","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Cd N10 O9 -","- C26 H26 Cd N10 O9 -","- C208 H208 Cd8 N80 O72 -","8","1","","Lei-lei Tian; Chun Wang; Sandipan Dawn; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Macrocycles with Switchable exo/endo Metal Binding Sites","Journal of the American Chemical Society","2009","131","","17620","17629","10.1021/ja906474z","","","0.7749","synchrotron","","0.0645","0.0379","","","0.0906","0.1042","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105428","13.443","0.002","16.074","0.002","21.5","0.003","100.01","0.002","97.933","0.002","91.626","0.002","4524.7","1.1","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C94 H85 B2 Cl2 Co F30 N O4 U -","- C93 H71 B2 Cl2 Co F30 N O4 U -","- C186 H142 B4 Cl4 Co2 F60 N2 O8 U2 -","2","1","","David D. Schnaars; Guang Wu; Trevor W. Hayton","Reduction of Pentavalent Uranyl to U(IV) Facilitated by Oxo Functionalization","Journal of the American Chemical Society","2009","131","","17532","17533","10.1021/ja906880d","","","0.71073","MoKα","","0.141","0.064","","","0.1553","0.1868","","","","","","0.887","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105429","12.9855","0.0013","22.378","0.002","18.4525","0.0019","90","","90.33","0.002","90","","5362","0.9","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 B Co F15 N O -","- C62 H52 B Co F15 N O -","- C248 H208 B4 Co4 F60 N4 O4 -","4","1","","David D. Schnaars; Guang Wu; Trevor W. Hayton","Reduction of Pentavalent Uranyl to U(IV) Facilitated by Oxo Functionalization","Journal of the American Chemical Society","2009","131","","17532","17533","10.1021/ja906880d","","","0.71073","MoKα","","0.1394","0.0915","","","0.1742","0.1929","","","","","","1.136","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105430","23.4675","0.0019","21.2867","0.0016","21.1016","0.0018","90","","104.552","0.003","90","","10203.1","1.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H54 B F15 N2 O2.5 -","- C56 H50 B F15 N2 O2.5 -","- C448 H400 B8 F120 N16 O20 -","8","1","","David D. Schnaars; Guang Wu; Trevor W. Hayton","Reduction of Pentavalent Uranyl to U(IV) Facilitated by Oxo Functionalization","Journal of the American Chemical Society","2009","131","","17532","17533","10.1021/ja906880d","","","0.71073","MoKα","","0.1347","0.0664","","","0.1547","0.1872","","","","","","0.923","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105431","13.618","0.001","25.451","0.002","19.3451","0.0016","90","","98.491","0.002","90","","6631.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>incar</i>(mu~3~nitridotriscandium)-1,3,7,17,28,39,41,45,47,51,54,62,65,70- Tetradecakis(trifluoromethyl)-1,3,7,17,28,39,41,45,47,51,54,62,65,70- tetradecahydro(C~80~-<i>I~h~</i>(7))[5,6])fullerene","","- C98 H5 F42 N Sc3 -","- C98 H5 F42 N Sc3 -","- C392 H20 F168 N4 Sc12 -","4","1","","Natalia B. Shustova; Yu-Sheng Chen; Mary A. Mackey; Curtis E. Coumbe; J. Paige Phillips; Steven Stevenson; Alexey A. Popov; Olga V. Boltalina; Steven H. Strauss","Sc3N@(C80-Ih(7))(CF3)14 and Sc3N@(C80-Ih(7))(CF3)16. Endohedral Metallofullerene Derivatives with Exohedral Addends on Four and Eight Triple-Hexagon Junctions. Does the Sc3N Cluster Control the Addition Pattern or Vice Versa?","Journal of the American Chemical Society","2009","131","","17630","17637","10.1021/ja9069216","","","0.4428","synchrotron","","0.1157","0.0661","","","0.1599","0.1894","","","","","","1.071","","","","has coordinates,has disorder","194623","2020-10-21","18:00:00",""
"4105432","13.8756","0.0006","15.3985","0.0007","16.7884","0.0007","73.911","0.003","88.258","0.003","74.257","0.003","3313.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","incar(mu~3~nitridotriscandium)-2,4,10,16,20,23,25,34,46,53,57,62,65,68,71,74- Hexadecakis(trifluoromethyl)- 2,4,10,16,20,23,25,34,46,53,57,62,65,68,71,74- hexadecahydro(C~80~-<i>I~h~</i>(7))[5,6])fullerene","","- C96 F48 N Sc3 -","- C96 F48 N Sc3 -","- C192 F96 N2 Sc6 -","2","1","","Natalia B. Shustova; Yu-Sheng Chen; Mary A. Mackey; Curtis E. Coumbe; J. Paige Phillips; Steven Stevenson; Alexey A. Popov; Olga V. Boltalina; Steven H. Strauss","Sc3N@(C80-Ih(7))(CF3)14 and Sc3N@(C80-Ih(7))(CF3)16. Endohedral Metallofullerene Derivatives with Exohedral Addends on Four and Eight Triple-Hexagon Junctions. Does the Sc3N Cluster Control the Addition Pattern or Vice Versa?","Journal of the American Chemical Society","2009","131","","17630","17637","10.1021/ja9069216","","","0.7749","synchrotron","","0.0629","0.0437","","","0.1133","0.1253","","","","","","1.01","","","","has coordinates,has disorder","194623","2020-10-21","18:00:00",""
"4105433","9.9261","0.0001","21.6927","0.0003","23.8136","0.0003","87.5427","0.0005","84.6721","0.0005","81.838","0.0005","5051.47","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H51.81 B33 I33 O23.15 -","- C3 H51.816 B33 I33 O23.158 -","- C6 H103.632 B66 I66 O46.316 -","2","1","","Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed","Haq+ Structures in Proton Wires inside Nanotubes","Journal of the American Chemical Society","2009","131","","17540","17541","10.1021/ja907708g","","","0.71073","MoKα","","0.0295","0.026","","","0.0588","0.0601","","","","","","1.137","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105434","25.976","0.005","25.976","0.005","25.976","0.005","90","","90","","90","","17527","6","100","2","100","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C91.76 H60 N55.92 O59.2 Zn12 -","- C91.76 H60 N55.92 O59.2 Zn12.0002 -","- C367.04 H240 N223.68 O236.8 Zn48.0008 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0925","0.0794","","","0.1881","0.1953","","","","","","1.169","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105435","23.1553","0.0015","23.1553","0.0015","23.1553","0.0015","90","","90","","90","","12415.1","1.4","100","2","100","2","","","","","","","","6","F m -3","-F 2 2 3","202","","","","- C76.2 H16.8 K8 N29.4 O65.08 Zn8 -","- C76.2 H16.8 K8 N29.4 O65.08 Zn8 -","- C304.8 H67.2 K32 N117.6 O260.32 Zn32 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0869","0.0795","","","0.2277","0.2351","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105436","40.637","0.005","40.637","0.005","39.063","0.007","90","","90","","120","","55865","14","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C70.4 H50 Cd8 N28 Na8 O90.32 -","- C70.4 H50 Cd8 N28 Na8 O91.92 -","- C633.6 H450 Cd72 N252 Na72 O827.28 -","9","0.25","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.1238","0.0983","","","0.2308","0.2463","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105437","23.7179","0.0019","23.7179","0.0019","23.7179","0.0019","90","","90","","90","","13342.2","1.9","100","2","100","2","","","","","","","","6","F m -3","-F 2 2 3","202","","","","- C60 H24 Cd8 K8 N24 O68.52 -","- C60 H24 Cd8 K8 N24 O68.52 -","- C240 H96 Cd32 K32 N96 O274.08 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0964","0.088","","","0.2242","0.2298","","","","","","1.155","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105438","24.593","0.002","24.593","0.002","24.593","0.002","90","","90","","90","","14874","2","100","2","100","2","","","","","","","","6","F m -3","-F 2 2 3","202","","","","- C72 H48 Cd8 Cs8 N28 O60 -","- C71.9999 H47.9998 Cd8 Cs7.9992 N28 O60.0001 -","- C288 H191.999 Cd32 Cs31.9968 N112 O240 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0891","0.0794","","","0.2001","0.2091","","","","","","1.072","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105439","26.291","0.006","26.291","0.006","26.291","0.006","90","","90","","90","","18173","7","100","2","100","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C86.24 H60 Mn12 N55.92 O60.16 -","- C86.24 H60 Mn12.0002 N55.92 O60.16 -","- C344.96 H240 Mn48.0008 N223.68 O240.64 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0952","0.0841","","","0.232","0.2416","","","","","","1.208","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105440","25.928","0.003","25.928","0.003","25.928","0.003","90","","90","","90","","17430","3","100","2","100","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C91.76 H60 Co12 N55.92 O57 -","- C91.76 H60 Co12.0002 N55.92 O57 -","- C367.04 H240 Co48.0008 N223.68 O228 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0815","0.0671","","","0.1849","0.1949","","","","","","1.099","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105441","26.123","0.004","26.123","0.004","26.123","0.004","90","","90","","90","","17827","5","100","2","100","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C75.92 H91.68 In8 N51.96 O70.6 -","- C75.92 H91.68 In8 N51.96 O70.6 -","- C303.68 H366.72 In32 N207.84 O282.4 -","4","0.0416667","","Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi","Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs)","Journal of the American Chemical Society","2009","131","","17753","17755","10.1021/ja905557z","","","0.71073","MoKα","","0.0781","0.0602","","","0.1789","0.194","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105442","10.9903","0.0002","12.2569","0.0003","10.5191","0.0002","90","","90","","90","","1417","0.05","223","2","223","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C12 H23 N2 P -","- C12 H23 N2 P -","- C48 H92 N8 P4 -","4","0.5","","Kirsten Spannhoff; Nadine Kuhl; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Remarkable Product Diversity in the ""Self-Organized"" Reaction of Deprotonated Acetonitrile with Chlorophosphines","Journal of the American Chemical Society","2009","131","","17836","17842","10.1021/ja905676a","","","1.54178","CuKα","","0.0302","0.0299","","","0.0771","0.0774","","","","","","1.073","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105443","10.8532","0.0001","10.8128","0.0001","11.7494","0.0001","111.657","0.001","98.605","0.001","110.65","0.001","1135.43","0.03","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H44 P2 -","- C24 H44 P2 -","- C48 H88 P4 -","2","1","","Kirsten Spannhoff; Nadine Kuhl; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Remarkable Product Diversity in the ""Self-Organized"" Reaction of Deprotonated Acetonitrile with Chlorophosphines","Journal of the American Chemical Society","2009","131","","17836","17842","10.1021/ja905676a","","","1.54178","CuKα","","0.0452","0.0424","","","0.1145","0.1174","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105444","8.7518","0.0004","15.1375","0.0005","15.6376","0.0007","97.622","0.002","91.057","0.002","97.509","0.002","2034.41","0.15","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H74 N2 P4 -","- C36 H74 N2 P4 -","- C72 H148 N4 P8 -","2","1","","Kirsten Spannhoff; Nadine Kuhl; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Remarkable Product Diversity in the ""Self-Organized"" Reaction of Deprotonated Acetonitrile with Chlorophosphines","Journal of the American Chemical Society","2009","131","","17836","17842","10.1021/ja905676a","","","1.54178","CuKα","","0.0526","0.0513","","","0.1356","0.137","","","","","","1.026","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105445","30.2865","0.0002","30.2865","0.0002","14.7582","0.0002","90","","90","","90","","13537.3","0.2","223","2","223","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C38 H45 N P2 -","- C38 H45 N P2 -","- C608 H720 N16 P32 -","16","1","","Kirsten Spannhoff; Nadine Kuhl; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Remarkable Product Diversity in the ""Self-Organized"" Reaction of Deprotonated Acetonitrile with Chlorophosphines","Journal of the American Chemical Society","2009","131","","17836","17842","10.1021/ja905676a","","","0.71073","MoKα","","0.099","0.0489","","","0.1157","0.1356","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105446","18.0863","0.0005","9.8117","0.0003","21.5144","0.0007","90","","95.016","0.002","90","","3803.3","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H66 N P3 -","- C38 H66 N P3 -","- C152 H264 N4 P12 -","4","1","","Kirsten Spannhoff; Nadine Kuhl; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Remarkable Product Diversity in the ""Self-Organized"" Reaction of Deprotonated Acetonitrile with Chlorophosphines","Journal of the American Chemical Society","2009","131","","17836","17842","10.1021/ja905676a","","","1.54178","CuKα","","0.0461","0.0432","","","0.1169","0.1198","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105447","34.173","0.005","6.704","0.002","16.712","0.004","90","","102.82","0.02","90","","3733.2","1.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 O2 -","- C27 H20 O2 -","- C216 H160 O16 -","8","1","","Lutz F. Tietze; Alexander Düfert; Florian Lotz; Lars Sölter; Kawon Oum; Thomas Lenzer; Tobias Beck; Regine Herbst-Irmer","Synthesis of Chiroptical Molecular Switches by Pd-Catalyzed Domino Reactions","Journal of the American Chemical Society","2009","131","","17879","17884","10.1021/ja906260x","","","1.54178","CuKα","","0.0349","0.0332","","","0.0839","0.0853","","","","","","1.038","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105448","34.633","0.005","6.646","0.002","16.353","0.004","90","","106.62","0.03","90","","3606.7","1.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 O3 -","- C26 H18 O3 -","- C208 H144 O24 -","8","1","","Lutz F. Tietze; Alexander Düfert; Florian Lotz; Lars Sölter; Kawon Oum; Thomas Lenzer; Tobias Beck; Regine Herbst-Irmer","Synthesis of Chiroptical Molecular Switches by Pd-Catalyzed Domino Reactions","Journal of the American Chemical Society","2009","131","","17879","17884","10.1021/ja906260x","","","1.54178","CuKα","","0.0523","0.0344","","","0.0804","0.0894","","","","","","1.017","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105449","18.491","0.009","9.143","0.009","19.97","0.005","90","","104.27","0.05","90","","3272","4","123.1","","123.1","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Cl5 Ga P4 -","- C24 H44 Cl5 Ga P4 -","- C96 H176 Cl20 Ga4 P16 -","4","1","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.7107","MoKα","","","0.059","","","","0.0589","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105450","17.807","0.0004","17.9537","0.0003","31.5222","0.0008","90","","90","","90","","10077.7","0.4","123.1","","123.1","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H44 Cl16 Ga4 P4 -","- C24 H44 Cl16 Ga4 P4 -","- C192 H352 Cl128 Ga32 P32 -","8","1","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.7107","MoKα","","","0.0478","","","","0.0593","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105451","10.1235","0.0002","10.1235","0.0002","12.411","0.0005","90","","90","","90","","1271.94","0.06","153","2","153","1","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C24 H44 P4 -","- C24 H44 P4 -","- C48 H88 P8 -","2","0.25","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.71073","MoKα","","0.0222","0.0213","","","0.0573","0.0583","","","","","","1.112","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105452","9.74","0.002","12.396","0.003","28.66","0.007","90","","90.19","0.01","90","","3460.3","1.4","123.1","","123.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 Cl8 Ga2 P4 -","- C18 H40 Cl8 Ga2 P4 -","- C72 H160 Cl32 Ga8 P16 -","4","1","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.71069","MoKα","","","0.0662","","","","0.1876","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105453","8.783","0.002","13.74","0.003","26.015","0.01","90","","91.964","0.016","90","","3137.6","1.6","123.1","","123.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl7 Ga P -","- C6 H11 Cl7 Ga P -","- C48 H88 Cl56 Ga8 P8 -","8","2","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.7107","MoKα","","","0.0386","","","","0.0427","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105454","12.2913","0.0004","14.8034","0.0005","14.9881","0.0006","90","","90","","90","","2727.13","0.17","153","2","153","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H27 Cl8 Ga2 P3 -","- C12 H27 Cl8 Ga2 P3 -","- C48 H108 Cl32 Ga8 P12 -","4","1","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.71073","MoKα","","0.0298","0.0259","","","0.0562","0.0579","","","","","","1.026","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105455","10.5502","0.0003","13.5437","0.0005","13.9971","0.0005","101.395","0.0017","93.704","0.0012","99.35","0.0016","1924.86","0.11","123.1","","123.1","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C24.5 H45 Cl Ga I5 P4 -","- C24.5 H45 Cl Ga I5 P4 -","- C49 H90 Cl2 Ga2 I10 P8 -","2","1","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.7107","MoKα","","","0.0258","","","","0.0305","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105456","6.1146","0.0003","13.5142","0.001","13.7921","0.001","90","","90","","90","","1139.7","0.13","123.1","","123.1","0.2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cl8 Ga P -","- Cl8 Ga P -","- Cl32 Ga4 P4 -","4","0.5","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.7107","MoKα","","","0.0338","","","","0.0376","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105457","8.3711","0.0008","10.574","0.001","12.9188","0.0013","66.405","0.009","71.879","0.009","85.019","0.008","995.01","0.19","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 F6 N2 O7 S2 -","- C12 H18 F6 N2 O7 S2 -","- C24 H36 F12 N4 O14 S4 -","2","1","","Michael J. Corr; Mark D. Roydhouse; Kirsty F. Gibson; Sheng-ze Zhou; Alan R. Kennedy; John A. Murphy","Amidine Dications as Superelectrophiles","Journal of the American Chemical Society","2009","131","","17980","17985","10.1021/ja908191k","","","1.5418","CuKα","","0.0728","0.0668","","","0.2089","0.2175","","","","","","1.117","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105458","10.6076","0.0003","14.4559","0.0004","18.4307","0.0006","90","","93.899","0.003","90","","2819.67","0.14","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 F9 N4 O9 S3 -","- C19 H29 F9 N4 O9 S3 -","- C76 H116 F36 N16 O36 S12 -","4","1","","Michael J. Corr; Mark D. Roydhouse; Kirsty F. Gibson; Sheng-ze Zhou; Alan R. Kennedy; John A. Murphy","Amidine Dications as Superelectrophiles","Journal of the American Chemical Society","2009","131","","17980","17985","10.1021/ja908191k","","","0.71073","MoKα","","0.1024","0.049","","","0.0958","0.1039","","","","","","0.833","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105459","17.171","0.003","13.684","0.002","19.16","0.004","90","","91.517","0.003","90","","4500.4","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{[Me2NN]Ni}2(m-h2:h2-ONAr)","","","- C50 H59 N5 Ni2 O -","- C50 H59 N5 Ni2 O -","- C200 H236 N20 Ni8 O4 -","4","1","","Stefan Wiese; Pooja Kapoor; Kamille D. Williams; Timothy H. Warren","Nitric Oxide Oxidatively Nitrosylates Ni(I) and Cu(I) C-Organonitroso Adducts","Journal of the American Chemical Society","2009","131","","18105","18111","10.1021/ja903550n","","","0.71073","MoKα","","0.1097","0.0547","","","0.1168","0.1289","","","","","","0.991","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105460","35.714","0.011","11.67","0.002","23.333","0.005","90","","93.64","0.02","90","","9705","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[Me2NN]Cu}2(m-h2:h1-ONAr) + 0.5 ether","","","- C52 H64 Cu2 N5 O1.5 -","- C52 H64 Cu2 N5 O1.5 -","- C416 H512 Cu16 N40 O12 -","8","1","","Stefan Wiese; Pooja Kapoor; Kamille D. Williams; Timothy H. Warren","Nitric Oxide Oxidatively Nitrosylates Ni(I) and Cu(I) C-Organonitroso Adducts","Journal of the American Chemical Society","2009","131","","18105","18111","10.1021/ja903550n","","","0.71073","MoKα","","0.1281","0.0832","","","0.1881","0.2053","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105461","16.0009","0.0014","11.3762","0.001","23.591","0.002","90","","90.729","0.001","90","","4293.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","{[Me2NN]Cu}2(m-h2:h1-ONPh)","","","- C48 H55 Cu2 N5 O -","- C48 H55 Cu2 N5 O -","- C192 H220 Cu8 N20 O4 -","4","1","","Stefan Wiese; Pooja Kapoor; Kamille D. Williams; Timothy H. Warren","Nitric Oxide Oxidatively Nitrosylates Ni(I) and Cu(I) C-Organonitroso Adducts","Journal of the American Chemical Society","2009","131","","18105","18111","10.1021/ja903550n","","","0.71073","MoKα","","0.0458","0.0374","","","0.0973","0.1047","","","","","","1.119","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105462","11.992","0.004","14.491","0.005","15.118","0.005","90","","90","","90","","2627.1","1.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Me2NN]Cu(h2-ONAr)","","","- C29 H34 Cu N3 O -","- C29 H34 Cu N3 O -","- C116 H136 Cu4 N12 O4 -","4","1","","Stefan Wiese; Pooja Kapoor; Kamille D. Williams; Timothy H. Warren","Nitric Oxide Oxidatively Nitrosylates Ni(I) and Cu(I) C-Organonitroso Adducts","Journal of the American Chemical Society","2009","131","","18105","18111","10.1021/ja903550n","","","0.71073","MoKα","","0.1016","0.0518","","","0.1076","0.1211","","","","","","0.989","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105463","11.752","0.002","33.35","0.006","12.6","0.002","90","","101.014","0.002","90","","4847.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Me2NN]Cu(h2-ONPh)","","","- C27 H30 Cu N3 O -","- C27 H30 Cu N3 O -","- C216 H240 Cu8 N24 O8 -","8","2","","Stefan Wiese; Pooja Kapoor; Kamille D. Williams; Timothy H. Warren","Nitric Oxide Oxidatively Nitrosylates Ni(I) and Cu(I) C-Organonitroso Adducts","Journal of the American Chemical Society","2009","131","","18105","18111","10.1021/ja903550n","","","0.71073","MoKα","","0.087","0.063","","","0.1621","0.1713","","","","","","1.063","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105464","7.175","0.002","12.144","0.004","15.621","0.005","98.327","0.01","99.958","0.012","91.137","0.01","1325.1","0.7","173","2","273","2","","","","","","","","5","P -1","-P 1","2","[Me2NN]Cu(k2-O2N2Ar)","","","- C29 H34 Cu N4 O2 -","- C29 H34 Cu N4 O2 -","- C58 H68 Cu2 N8 O4 -","2","1","","Stefan Wiese; Pooja Kapoor; Kamille D. Williams; Timothy H. Warren","Nitric Oxide Oxidatively Nitrosylates Ni(I) and Cu(I) C-Organonitroso Adducts","Journal of the American Chemical Society","2009","131","","18105","18111","10.1021/ja903550n","","","0.71073","MoKα","","0.1047","0.0532","","","0.1145","0.1262","","","","","","0.965","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105465","9.4955","0.0017","8.512","0.0015","17.129","0.003","90","","98.142","0.003","90","","1370.5","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H22 O6 -","- C11 H22 O6 -","- C44 H88 O24 -","4","2","","Karla Ramírez-Gualito; Rosa Alonso-Ríos; Beatriz Quiroz-García; Aarón Rojas-Aguilar; Dolores Díaz; Jesús Jiménez-Barbero; Gabriel Cuevas","Enthalpic Nature of the CH/π Interaction Involved in the Recognition of Carbohydrates by Aromatic Compounds, Confirmed by a Novel Interplay of NMR, Calorimetry, and Theoretical Calculations","Journal of the American Chemical Society","2009","131","","18129","18138","10.1021/ja903950t","","","0.71073","MoKα","","0.0977","0.0551","","","0.1161","0.1339","","","","","","0.982","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105466","7.151","0.0001","22.716","0.0002","10.1132","0.0002","90","","100.7","0.5","90","","1614","3","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 La Na O12 P4 -","- C8 H6 La Na O12.5 P4 -","- C32 H24 La4 Na4 O50 P16 -","4","1","","Monika Plabst; Lynne B. McCusker; Thomas Bein","Exceptional Ion-Exchange Selectivity in a Flexible Open Framework Lanthanum(III) tetrakisphosphonate","Journal of the American Chemical Society","2009","131","","18112","18118","10.1021/ja904636y","powder diffraction","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105467","10.601","0.007","11.556","0.008","13.229","0.009","102.846","0.009","104.607","0.01","97.276","0.005","1500","1.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H33 Br -","- C40 H33 Br -","- C80 H66 Br2 -","2","1","","Mikinao Ito; Daisuke Hashizume; Takeo Fukunaga; Tsukasa Matsuo; Kohei Tamao","Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the Size-Controllable Bulky ""Rind"" Ligands","Journal of the American Chemical Society","2009","131","","18024","18025","10.1021/ja9071964","","","0.71073","MoKα","","0.0853","0.0585","","","0.1351","0.1529","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105468","10.426","0.003","10.58","0.004","13.082","0.004","106.334","0.004","92.053","0.002","108.086","0.004","1304.3","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H90 Br2 Cu4 -","- C56 H90 Br2 Cu4 -","- C56 H90 Br2 Cu4 -","1","0.5","","Mikinao Ito; Daisuke Hashizume; Takeo Fukunaga; Tsukasa Matsuo; Kohei Tamao","Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the Size-Controllable Bulky ""Rind"" Ligands","Journal of the American Chemical Society","2009","131","","18024","18025","10.1021/ja9071964","","","0.71073","MoKα","","0.0739","0.0498","","","0.1104","0.1443","","","","","","1.19","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105469","10.8203","0.0015","13.1963","0.0019","16.471","0.002","93.367","0.002","93.257","0.002","102.391","0.002","2287.3","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H62 Cu Li O2 Si -","- C53 H62 Cu Li O2 Si -","- C106 H124 Cu2 Li2 O4 Si2 -","2","1","","Mikinao Ito; Daisuke Hashizume; Takeo Fukunaga; Tsukasa Matsuo; Kohei Tamao","Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the Size-Controllable Bulky ""Rind"" Ligands","Journal of the American Chemical Society","2009","131","","18024","18025","10.1021/ja9071964","","","0.71073","MoKα","","0.0685","0.059","","","0.1655","0.1752","","","","","","1.072","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105470","10.5552","0.0018","11.339","0.002","15.234","0.003","83.017","0.007","73.241","0.006","70.01","0.006","1640.1","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H108 Cu4 Si2 -","- C66 H108 Cu4 Si2 -","- C66 H108 Cu4 Si2 -","1","0.5","","Mikinao Ito; Daisuke Hashizume; Takeo Fukunaga; Tsukasa Matsuo; Kohei Tamao","Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the Size-Controllable Bulky ""Rind"" Ligands","Journal of the American Chemical Society","2009","131","","18024","18025","10.1021/ja9071964","","","0.71073","MoKα","","0.0428","0.0331","","","0.0816","0.0872","","","","","","1.047","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105471","9.985","0.003","20.779","0.005","18.111","0.005","90","","102.684","0.003","90","","3665.9","1.7","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 Si -","- C45 H46 Si -","- C180 H184 Si4 -","4","1","","Mikinao Ito; Daisuke Hashizume; Takeo Fukunaga; Tsukasa Matsuo; Kohei Tamao","Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the Size-Controllable Bulky ""Rind"" Ligands","Journal of the American Chemical Society","2009","131","","18024","18025","10.1021/ja9071964","","","0.71073","MoKα","","0.1102","0.075","","","0.1802","0.2047","","","","","","1.071","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105472","11.8068","0.0017","13.634","0.002","14.852","0.002","78.014","0.005","75.492","0.006","73.742","0.005","2197.5","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H57 Br Cu Li O3 -","- C52 H57 Br Cu Li O3 -","- C104 H114 Br2 Cu2 Li2 O6 -","2","1","","Mikinao Ito; Daisuke Hashizume; Takeo Fukunaga; Tsukasa Matsuo; Kohei Tamao","Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the Size-Controllable Bulky ""Rind"" Ligands","Journal of the American Chemical Society","2009","131","","18024","18025","10.1021/ja9071964","","","0.71073","MoKα","","0.0935","0.0659","","","0.1663","0.1848","","","","","","1.069","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105473","10.464","0.002","28.373","0.005","15.696","0.003","90","","104.088","0.003","90","","4519.9","1.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H61 Br Cu Li O3 -","- C52 H61 Br Cu Li O3 -","- C208 H244 Br4 Cu4 Li4 O12 -","4","1","","Mikinao Ito; Daisuke Hashizume; Takeo Fukunaga; Tsukasa Matsuo; Kohei Tamao","Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the Size-Controllable Bulky ""Rind"" Ligands","Journal of the American Chemical Society","2009","131","","18024","18025","10.1021/ja9071964","","","0.71073","MoKα","","0.1","0.0721","","","0.1845","0.2092","","","","","","1.058","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105474","11.6336","0.0006","18.5857","0.0008","18.3671","0.0009","90","","92.772","0.002","90","","3966.7","0.3","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C35 H58 F3 N O3 P2 Pt Ru2 S -","- C35 H58 F3 N O3 P2 Pt Ru2 S -","- C140 H232 F12 N4 O12 P8 Pt4 Ru8 S4 -","4","1","","Shin Takemoto; Hidenobu Morita; Kenji Karitani; Hideki Fujiwara; Hiroyuki Matsuzaka","A Bimetallic Ru2Pt Complex Containing a Trigonal-Planar μ3-Carbido Ligand: Formation, Structure, and Reactivity Relevant to the Fischer-Tropsch Process","Journal of the American Chemical Society","2009","131","","18026","18027","10.1021/ja907387w","","","0.71075","MoKα","","0.0442","0.0342","","","0.081","0.0907","","","","","","1.073","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105475","8.9775","0.0003","22.5389","0.0008","10.0483","0.0004","90","","97.942","0.001","90","","2013.7","0.13","296","2","296","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C35 H58 F3 N O3 P2 Pt Ru2 S -","- C35 H57 F3 N O3 P2 Pt Ru2 S -","- C70 H114 F6 N2 O6 P4 Pt2 Ru4 S2 -","2","1","","Shin Takemoto; Hidenobu Morita; Kenji Karitani; Hideki Fujiwara; Hiroyuki Matsuzaka","A Bimetallic Ru2Pt Complex Containing a Trigonal-Planar μ3-Carbido Ligand: Formation, Structure, and Reactivity Relevant to the Fischer-Tropsch Process","Journal of the American Chemical Society","2009","131","","18026","18027","10.1021/ja907387w","","","0.71075","MoKα","","0.0367","0.0345","","","0.0774","0.0905","","","","","","1.037","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105476","12.3348","0.0006","12.4787","0.0005","15.2195","0.0006","88.359","0.001","77.721","0.001","87.216","0.001","2285.93","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H60 B N O2 Ru2 -","- C54 H60 B N O2 Ru2 -","- C108 H120 B2 N2 O4 Ru4 -","2","1","","Shin Takemoto; Hidenobu Morita; Kenji Karitani; Hideki Fujiwara; Hiroyuki Matsuzaka","A Bimetallic Ru2Pt Complex Containing a Trigonal-Planar μ3-Carbido Ligand: Formation, Structure, and Reactivity Relevant to the Fischer-Tropsch Process","Journal of the American Chemical Society","2009","131","","18026","18027","10.1021/ja907387w","","","0.71075","MoKα","","0.041","0.0307","","","0.0932","0.1114","","","","","","1.111","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105477","10.7624","0.0005","7.9949","0.0002","10.9354","0.0004","90","","118.459","0.005","90","","827.23","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C40 H38 N6 O2 -","2","1","","Danny C. Hsu; Polo C.-H. Lam; Carla Slebodnick; Paul R. Carlier","Complete Mapping of the Stereochemical Course of Retentive Deprotonation/Alkylation of 1H-Benzo[e][1,4]diazepin-2(3H)-ones","Journal of the American Chemical Society","2009","131","","18168","18176","10.1021/ja907507j","","x-ray","1.54178","CuKα","","0.0345","0.0338","","","0.089","0.09","","","","","","1.038","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105478","11.0406","0.0004","10.7876","0.0004","13.5147","0.0005","90","","102.36","0.004","90","","1572.31","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C76 H80 N8 O4 -","4","2","","Danny C. Hsu; Polo C.-H. Lam; Carla Slebodnick; Paul R. Carlier","Complete Mapping of the Stereochemical Course of Retentive Deprotonation/Alkylation of 1H-Benzo[e][1,4]diazepin-2(3H)-ones","Journal of the American Chemical Society","2009","131","","18168","18176","10.1021/ja907507j","","x-ray","0.71073","MoKα","","0.0532","0.0388","","","0.0822","0.0865","","","","","","0.944","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105479","10.4607","0.0005","14.0476","0.0005","16.0488","0.0006","90","","90","","90","","2358.33","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O Si -","- C25 H34 N2 O Si -","- C100 H136 N8 O4 Si4 -","4","1","","Danny C. Hsu; Polo C.-H. Lam; Carla Slebodnick; Paul R. Carlier","Complete Mapping of the Stereochemical Course of Retentive Deprotonation/Alkylation of 1H-Benzo[e][1,4]diazepin-2(3H)-ones","Journal of the American Chemical Society","2009","131","","18168","18176","10.1021/ja907507j","","x-ray","1.54178","CuKα","","0.047","0.0329","","","0.0646","0.0714","","","","","","0.915","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105480","5.4264","0.0005","8.6712","0.0007","32.044","0.003","90","","90","","90","","1507.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Stepan Chuprakov; Sen Wai Kwok; Li Zhang; Lukas Lercher; Valery V. Fokin","Rhodium-Catalyzed Enantioselective Cyclopropanation of Olefins with N-Sulfonyl 1,2,3-Triazoles","Journal of the American Chemical Society","2009","131","","18034","18035","10.1021/ja908075u","","","1.54178","CuKα","","0.0278","0.0254","","","0.0641","0.0652","","","","","","1.047","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105481","17.401","0.004","31.951","0.009","9.613","0.002","90","","95.45","0.02","90","","5320","2","299","","299","","","","","","","","Local laboratory","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H50 Fe N7 O10 P2 -","- C57 H50 Fe N7 O10 P2 -","- C228 H200 Fe4 N28 O40 P8 -","4","1","","William Chadwick Ellis; Camly T. Tran; Matthew A. Denardo; Andreas Fischer; Alexander D. Ryabov; Terrence J. Collins","Design of More Powerful Iron-TAML Peroxidase Enzyme Mimics","Journal of the American Chemical Society","2009","131","","18052","18053","10.1021/ja9086837","","","0.71073","MoKα","","0.0779","0.0488","","","0.0942","0.1069","","","","","","1.086","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105482","43.572","0.004","5.0329","0.0005","12.2533","0.0011","90","","105.356","0.002","90","","2591.1","0.4","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Zn(C6H5-CN4-C6H4CO2)2(H2O)2","","","- C28 H22 N8 O6 Zn -","- C28 H22 N8 O6 Zn -","- C112 H88 N32 O24 Zn4 -","4","0.5","","Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens","Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State","Journal of the American Chemical Society","2009","131","","18036","18037","10.1021/ja9094523","","x-ray","0.71073","MoKα","","0.0399","0.0312","","","0.0778","0.0828","","","","","","1.104","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105483","17.751","0.007","6.019","0.002","23.625","0.009","90","","90.99","0.01","90","","2523.8","1.6","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Zn(CO2C6H5-CN4-C6H4NH2)2","","","- C28 H20 N10 O4 Zn -","- C28 H20 N10 O4 Zn -","- C112 H80 N40 O16 Zn4 -","4","0.5","","Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens","Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State","Journal of the American Chemical Society","2009","131","","18036","18037","10.1021/ja9094523","","x-ray","0.71073","MoKα","","0.2136","0.0649","","","0.1382","0.2104","","","","","","0.975","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105484","16.3473","0.001","6.2913","0.0004","7.0714","0.0004","90","","95.929","0.002","90","","723.37","0.08","90","2","90","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Zn(CO2C6H5-CN4-C6H4CO2)(H2O)2","","","- C15 H10 N4 O5 Zn -","- C15 H10 N4 O5 Zn -","- C30 H20 N8 O10 Zn2 -","2","0.5","","Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens","Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State","Journal of the American Chemical Society","2009","131","","18036","18037","10.1021/ja9094523","","x-ray","0.71073","MoKα","","0.0321","0.0264","","","0.0693","0.072","","","","","","1.104","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105485","16.3448","0.0017","6.3194","0.0007","7.1439","0.0007","90","","96.469","0.003","90","","733.19","0.13","90","2","90","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C15 H10 N3.89 O5 Zn -","- C15 H10 N3.894 O5 Zn -","- C30 H20 N7.788 O10 Zn2 -","2","0.5","","Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens","Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State","Journal of the American Chemical Society","2009","131","","18036","18037","10.1021/ja9094523","","x-ray","0.71073","MoKα","","0.0582","0.0437","","","0.1087","0.1167","","","","","","1.129","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105486","6.0952","0.0011","10.4482","0.0019","25.943","0.005","90","","102.915","0.004","90","","1610.4","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Zn(CO2C6H5-CN4-C6H4CO2)(NH3)2","","","- C15 H14 N6 O4 Zn -","- C15 H14 N6 O4 Zn -","- C60 H56 N24 O16 Zn4 -","4","1","","Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens","Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State","Journal of the American Chemical Society","2009","131","","18036","18037","10.1021/ja9094523","","x-ray","0.71073","MoKα","","0.0706","0.0413","","","0.0843","0.0953","","","","","","1.05","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105487","12.4251","0.0009","5.2084","0.0004","19.7678","0.0014","90","","106.999","0.002","90","","1223.38","0.16","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Zn(CO2-C6H4-CN4-C6H4-OH2)2(H2O)4(CH3OH)2","","","- C18 H26 N8 O12 Zn -","- C18 H26 N8 O12 Zn -","- C36 H52 N16 O24 Zn2 -","2","0.5","","Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens","Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State","Journal of the American Chemical Society","2009","131","","18036","18037","10.1021/ja9094523","","x-ray","0.71073","MoKα","","0.0302","0.0248","","","0.0593","0.0616","","","","","","1.057","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105488","7.2682","0.0004","7.2725","0.0004","12.8156","0.0007","86.806","0.001","84.082","0.001","63.867","0.001","604.88","0.06","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[NH4][Zn(CO2-CN4-C6H4-CO2)(H2O)2]","","","- C18 H24 N10 O12 Zn -","- C18 H24 N10 O12 Zn -","- C18 H24 N10 O12 Zn -","1","0.5","","Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens","Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State","Journal of the American Chemical Society","2009","131","","18036","18037","10.1021/ja9094523","","x-ray","0.71073","MoKα","","0.024","0.0229","","","0.0619","0.0626","","","","","","1.089","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105489","12.674","0.003","13.515","0.003","16.916","0.004","93.453","0.016","104.094","0.016","113.797","0.013","2530","1.1","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H68 Co N6 O8 -","- C50 H68 Co N6 O8 -","- C100 H136 Co2 N12 O16 -","2","1","","Martin L. Kirk; David A. Shultz; Robert D. Schmidt; Diana Habel-Rodriguez; Hyoyoung Lee; Junghyun Lee","Ferromagnetic Nanoscale Electron Correlation Promoted by Organic Spin-Dependent Delocalization","Journal of the American Chemical Society","2009","131","","18304","18313","10.1021/ja904648r","","","1.5418","CuKα","","0.287","0.0829","","","0.1661","0.2306","","","","","","0.665","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105490","8.5888","0.0011","13.3339","0.0016","15.1952","0.0019","83.7898","0.0018","84.083","0.002","81.527","0.002","1704.4","0.4","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C64.32 H80.65 Cl4.65 Co N6 O8 -","- C64.324 H80.648 Cl4.648 Co N6 O8 -","- C64.324 H80.648 Cl4.648 Co N6 O8 -","1","0.5","","Martin L. Kirk; David A. Shultz; Robert D. Schmidt; Diana Habel-Rodriguez; Hyoyoung Lee; Junghyun Lee","Ferromagnetic Nanoscale Electron Correlation Promoted by Organic Spin-Dependent Delocalization","Journal of the American Chemical Society","2009","131","","18304","18313","10.1021/ja904648r","","","0.71073","MoKα","","0.1163","0.0798","","","0.226","0.261","","","","","","1.045","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105491","10.102","0.01","5.802","0.006","15.213","0.015","90","","103.938","0.017","90","","865.4","1.5","168","","168","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H24 O -","- C23 H24 O -","- C46 H48 O2 -","2","1","","Barry M. Trost; Jiayi Xu; Thomas Schmidt","Palladium-Catalyzed Decarboxylative Asymmetric Allylic Alkylation of Enol Carbonates","Journal of the American Chemical Society","2009","131","","18343","18357","10.1021/ja9053948","","","0.71073","MoKα","","0.0686","0.0446","","","0.0929","0.1024","","","","","","1.037","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105492","10.0657","0.0004","25.801","0.0011","17.638","0.0007","90","","90.139","0.004","90","","4580.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H52 P2 Ru -","- C61 H52 P2 Ru -","- C244 H208 P8 Ru4 -","4","1","","Chia-Pei Chung; Chien-Chih Chen; Ying-Chih Lin; Yi-Hong Liu; Yu Wang","Reactions of Ruthenium Cp Phosphine Complex with 4,4-Disubstituted-1,6-Enynes: Effect of Methyl Substituents in the Olefinic Fraction","Journal of the American Chemical Society","2009","131","","18366","18375","10.1021/ja906745j","","","0.71073","MoKα","","0.049","0.0329","","","0.0807","0.0847","","","","","","1.03","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105493","11.282","0.002","21.112","0.004","22.568","0.005","90","","91.06","0.03","90","","5374.5","1.8","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H53 F6 O0.5 P3 Ru -","- C60.5 H53 F6 O0.5 P3 Ru -","- C242 H212 F24 O2 P12 Ru4 -","4","1","","Chia-Pei Chung; Chien-Chih Chen; Ying-Chih Lin; Yi-Hong Liu; Yu Wang","Reactions of Ruthenium Cp Phosphine Complex with 4,4-Disubstituted-1,6-Enynes: Effect of Methyl Substituents in the Olefinic Fraction","Journal of the American Chemical Society","2009","131","","18366","18375","10.1021/ja906745j","","","0.71073","MoKα","","0.0667","0.0414","","","0.1176","0.1335","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105494","13.9207","0.0003","13.9477","0.0004","22.7647","0.0007","85.489","0.002","75.201","0.002","82.549","0.002","4232.5","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H47 F6 O1.5 P2 Ru -","- C47 H47 F6 O1.5 P2 Ru -","- C188 H188 F24 O6 P8 Ru4 -","4","2","","Chia-Pei Chung; Chien-Chih Chen; Ying-Chih Lin; Yi-Hong Liu; Yu Wang","Reactions of Ruthenium Cp Phosphine Complex with 4,4-Disubstituted-1,6-Enynes: Effect of Methyl Substituents in the Olefinic Fraction","Journal of the American Chemical Society","2009","131","","18366","18375","10.1021/ja906745j","","","0.71073","MoKα","","0.1066","0.0518","","","0.1219","0.1385","","","","","","0.902","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105495","9.957","0.0002","36.5312","0.0008","13.9075","0.0003","90","","105.754","0.002","90","","4868.71","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H56 O P2 Ru -","- C61 H56 O P2 Ru -","- C244 H224 O4 P8 Ru4 -","4","1","","Chia-Pei Chung; Chien-Chih Chen; Ying-Chih Lin; Yi-Hong Liu; Yu Wang","Reactions of Ruthenium Cp Phosphine Complex with 4,4-Disubstituted-1,6-Enynes: Effect of Methyl Substituents in the Olefinic Fraction","Journal of the American Chemical Society","2009","131","","18366","18375","10.1021/ja906745j","","","0.71073","MoKα","","0.0712","0.0536","","","0.1076","0.1124","","","","","","1.12","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105496","10.0106","0.0002","13.8053","0.0003","20.7787","0.0004","72.634","0.001","81.477","0.002","74.846","0.001","2637.72","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H57 F6 P3 Ru -","- C62 H57 F6 P3 Ru -","- C124 H114 F12 P6 Ru2 -","2","1","","Chia-Pei Chung; Chien-Chih Chen; Ying-Chih Lin; Yi-Hong Liu; Yu Wang","Reactions of Ruthenium Cp Phosphine Complex with 4,4-Disubstituted-1,6-Enynes: Effect of Methyl Substituents in the Olefinic Fraction","Journal of the American Chemical Society","2009","131","","18366","18375","10.1021/ja906745j","","","0.71073","MoKα","","0.1015","0.0671","","","0.1681","0.1873","","","","","","1.113","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105497","9.4519","0.0019","14.714","0.003","15.772","0.003","62.46","0.03","78.78","0.02","82.1","0.03","1904.9","0.8","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H66 Cd3 Cl4 N4 O8 S8 -","- C76 H66 Cd3 Cl4 N4 O8 S8 -","- C76 H66 Cd3 Cl4 N4 O8 S8 -","1","0.5","","Michelle L. Mejía; Kyriacos Agapiou; Xiaoping Yang; Bradley J. Holliday","Seeded Growth of CdS Nanoparticles within a Conducting Metallopolymer Matrix","Journal of the American Chemical Society","2009","131","","18196","18197","10.1021/ja906773g","","","0.71073","MoKα","","0.0649","0.0455","","","0.1161","0.1351","","","","","","1.048","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105498","13.987","0.0012","16.1923","0.0012","14.2982","0.0011","90","","95.248","0.003","90","","3224.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H57 N7 O2 Zr -","- C25 H57 N7 O2 Zr -","- C100 H228 N28 O8 Zr4 -","4","1","","David C. Leitch; Philippa R. Payne; Christine R. Dunbar; Laurel L. Schafer","Broadening the Scope of Group 4 Hydroamination Catalysis Using a Tethered Ureate Ligand","Journal of the American Chemical Society","2009","131","","18246","18247","10.1021/ja906955b","","","0.71073","MoKα","","0.0456","0.0334","","","0.0877","0.0943","","","","","","1.033","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105499","7.873","0.003","26.978","0.01","10.642","0.004","90","","109.945","0.004","90","","2124.8","1.4","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C19 H10 Au2 Cl N7 Pb -","- C19 H10 Au2 Cl N7 Pb -","- C76 H40 Au8 Cl4 N28 Pb4 -","4","1","","Michael J. Katz; Daniel B. Leznoff","Highly Birefringent Cyanoaurate Coordination Polymers: The Effect of Polarizable C-X Bonds (X = Cl, Br)","Journal of the American Chemical Society","2009","131","","18435","18444","10.1021/ja907519c","","","0.71073","MoKα","","0.1053","0.0747","","0.5973","0.0822","0.0819","","","","","","3.505","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105500","8.768","0.0003","23.6668","0.0007","11.2028","0.0003","90","","111.505","0.002","90","","2162.87","0.12","150","","150","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C19 H11.48 Au2 Br N7 O0.74 Pb -","- C19 H11.4798 Au2 Br N7 O0.7399 Pb -","- C76 H45.9192 Au8 Br4 N28 O2.9596 Pb4 -","4","1","","Michael J. Katz; Daniel B. Leznoff","Highly Birefringent Cyanoaurate Coordination Polymers: The Effect of Polarizable C-X Bonds (X = Cl, Br)","Journal of the American Chemical Society","2009","131","","18435","18444","10.1021/ja907519c","","","0.71073","MoKα","","0.099","0.0323","","0.065","0.0366","0.0359","","","","","","0.8448","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105501","13.607","0.003","10.612","0.002","32.64","0.007","90","","98.573","0.003","90","","4660.5","1.7","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Au2 Cl Mn N7 O0.5 -","- C19 H11 Au2 Cl Mn N7 O0.5 -","- C152 H88 Au16 Cl8 Mn8 N56 O4 -","8","2","","Michael J. Katz; Daniel B. Leznoff","Highly Birefringent Cyanoaurate Coordination Polymers: The Effect of Polarizable C-X Bonds (X = Cl, Br)","Journal of the American Chemical Society","2009","131","","18435","18444","10.1021/ja907519c","","","0.71073","MoKα","","0.1279","0.0556","","0.5445","0.0655","0.0621","","","","","","1.2911","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105502","9.4193","0.0015","25.448","0.004","9.8955","0.0016","90","","113.855","0.002","90","","2169.3","0.6","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H10 Au2 Br Mn N7 -","- C19 H10 Au2 Br Mn N7 -","- C76 H40 Au8 Br4 Mn4 N28 -","4","1","","Michael J. Katz; Daniel B. Leznoff","Highly Birefringent Cyanoaurate Coordination Polymers: The Effect of Polarizable C-X Bonds (X = Cl, Br)","Journal of the American Chemical Society","2009","131","","18435","18444","10.1021/ja907519c","","","0.71073","MoKα","","0.0442","0.0225","","0.0265","0.0212","0.0205","","","","","","0.6134","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105503","18.9665","0.0006","22.4906","0.0008","32.4187","0.001","90","","109.313","0.002","90","","13050.6","0.8","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C160 H214 Ag40 F36 O56 V10 -","- C143 H169 Ag40 F25.7 O54 V10 -","- C286 H338 Ag80 F51.4 O108 V20 -","2","0.5","","Guang-Gang Gao; Ping-Shing Cheng; Thomas C. W. Mak","Acid-Induced Surface Functionalization of Polyoxometalate by Enclosure in a Polyhedral Silver-Alkynyl Cage","Journal of the American Chemical Society","2009","131","","18257","18259","10.1021/ja907900b","","","0.71073","MoKα","","0.1321","0.0579","","","0.1525","0.1998","","","","","","0.997","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105504","22.29","0.003","20.47","0.003","27.561","0.004","90","","93.97","0.005","90","","12545","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C146 H188 Ag40 F36 Mo6 O48 -","- C110.5 H104 Ag40 F19 Mo6 O45 -","- C221 H208 Ag80 F38 Mo12 O90 -","2","0.5","","Guang-Gang Gao; Ping-Shing Cheng; Thomas C. W. Mak","Acid-Induced Surface Functionalization of Polyoxometalate by Enclosure in a Polyhedral Silver-Alkynyl Cage","Journal of the American Chemical Society","2009","131","","18257","18259","10.1021/ja907900b","","","0.71073","MoKα","","0.1127","0.0583","","","0.1536","0.1957","","","","","","1.025","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105505","15.1091","0.0011","15.8098","0.0012","16.8562","0.0012","113.821","0.001","101.141","0.001","105.902","0.001","3324.5","0.4","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H134 Ag24 F18 O21 V2 -","- C49 H67 Ag12 F9 O10.5 V -","- C98 H134 Ag24 F18 O21 V2 -","2","1","","Guang-Gang Gao; Ping-Shing Cheng; Thomas C. W. Mak","Acid-Induced Surface Functionalization of Polyoxometalate by Enclosure in a Polyhedral Silver-Alkynyl Cage","Journal of the American Chemical Society","2009","131","","18257","18259","10.1021/ja907900b","","","0.71073","MoKα","","0.0427","0.0372","","","0.0923","0.0981","","","","","","0.994","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105506","14.3076","0.0013","15.8713","0.0014","28.861","0.003","91.321","0.002","90.098","0.002","116.607","0.002","5857.6","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H117 Ag20 F15 Mo O14 -","- C88 H117 Ag20 F15 Mo O14 -","- C176 H234 Ag40 F30 Mo2 O28 -","2","1","","Guang-Gang Gao; Ping-Shing Cheng; Thomas C. W. Mak","Acid-Induced Surface Functionalization of Polyoxometalate by Enclosure in a Polyhedral Silver-Alkynyl Cage","Journal of the American Chemical Society","2009","131","","18257","18259","10.1021/ja907900b","","","0.71073","MoKα","","0.057","0.0454","","","0.1041","0.114","","","","","","1.049","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105507","7.4204","0.0014","13.393","0.002","17.56","0.003","90","","98.428","0.004","90","","1726.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br N O2 -","- C20 H18 Br N O2 -","- C80 H72 Br4 N4 O8 -","4","1","","Bai-Lin Lei; Chang-Hua Ding; Xiao-Fei Yang; Xiao-Long Wan; Xue-Long Hou","Kinetic Resolution of 2,3-Dihydro-2-substituted 4-Quinolones by Palladium-Catalyzed Asymmetric Allylic Alkylation","Journal of the American Chemical Society","2009","131","","18250","18251","10.1021/ja9082717","","","0.71073","MoKα","","0.0875","0.0442","","","0.0957","0.1041","","","","","","0.826","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105508","9.9194","0.0012","13.9201","0.0017","15.389","0.0019","90","","101.192","0.003","90","","2084.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","","Bai-Lin Lei; Chang-Hua Ding; Xiao-Fei Yang; Xiao-Long Wan; Xue-Long Hou","Kinetic Resolution of 2,3-Dihydro-2-substituted 4-Quinolones by Palladium-Catalyzed Asymmetric Allylic Alkylation","Journal of the American Chemical Society","2009","131","","18250","18251","10.1021/ja9082717","","","0.71073","MoKα","","0.0946","0.0575","","","0.135","0.1596","","","","","","0.9","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105509","14.722","0.0005","6.9461","0.0002","18.2613","0.0006","90","","103.471","0.001","90","","1816.03","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 N5 O6 -","- C20 H11 N5 O6 -","- C80 H44 N20 O24 -","4","1","","Guillaume Berionni; Pierre-Alexandre Bertelle; Jérome Marrot; Régis Goumont","X-ray Structure of a CT Complex Relevant to Diels-Alder Reactivity of Anthracenes","Journal of the American Chemical Society","2009","131","","18224","18225","10.1021/ja908747j","","","0.71073","MoKα","","0.2022","0.1173","","","0.3543","0.4249","","","","","","1.353","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105510","7.4085","0.0005","7.0086","0.0005","13.4995","0.0009","90","","95.809","0.001","90","","697.34","0.08","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C17 H21 N O -","- C17 H21 N O -","- C34 H42 N2 O2 -","2","0.5","","Ying-Chieh Wong; Kanniyappan Parthasarathy; Chien-Hong Cheng","Cobalt-Catalyzed Regioselective Synthesis of Pyrrolidinone Derivatives by Reductive Coupling of Nitriles and Acrylamides","Journal of the American Chemical Society","2009","131","","18252","18253","10.1021/ja9088296","","","0.71073","MoKα","","0.0631","0.048","","","0.1315","0.1432","","","","","","1.073","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105511","26.0513","0.0016","8.7146","0.0005","17.4785","0.0011","90","","125.185","0.001","90","","3243.1","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C160 H168 N8 O16 -","8","1","","Ying-Chieh Wong; Kanniyappan Parthasarathy; Chien-Hong Cheng","Cobalt-Catalyzed Regioselective Synthesis of Pyrrolidinone Derivatives by Reductive Coupling of Nitriles and Acrylamides","Journal of the American Chemical Society","2009","131","","18252","18253","10.1021/ja9088296","","","0.71073","MoKα","","0.0634","0.0443","","","0.1116","0.1253","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105512","15.97","0.0003","15.97","0.0003","19.09","0.0005","90","","90","","120","","4216.44","0.16","173","1","173","1","","","","","","","","7","P 65","P 65","170","","","","- C29 H29 Cl N O5 P S -","- C29 H28 Cl N O5 P S -","- C174 H168 Cl6 N6 O30 P6 S6 -","6","1","","Shuichi Nakamura; Masashi Hayashi; Yuichi Hiramatsu; Norio Shibata; Yasuhiro Funahashi; Takeshi Toru","Catalytic Enantioselective Hydrophosphonylation of Ketimines Using Cinchona Alkaloids","Journal of the American Chemical Society","2009","131","","18240","18241","10.1021/ja908940e","","","0.7107","MoKα","","","0.0523","","","","0.1556","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105513","32.529","0.004","6.272","0.0008","36.401","0.005","90","","95.816","0.012","90","","7388.4","1.7","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H36 Au Cl N2 S4 -","- C39 H36 Au Cl N2 S4 -","- C312 H288 Au8 Cl8 N16 S32 -","8","1","","Adam B. Powell; Christopher W. Bielawski; Alan H. Cowley","Electropolymerization of an N-Heterocyclic Carbene-Gold(I) Complex","Journal of the American Chemical Society","2009","131","","18232","18233","10.1021/ja908969q","","","0.71075","MoKα","","0.1038","0.0686","","","0.144","0.161","","","","","","1.224","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105514","19.5674","0.0005","21.3428","0.0005","7.7545","0.0002","90","","90","","90","","3238.46","0.14","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C152 H136 N24 O16 -","8","1","","Shainaz M. Landge; Ivan Aprahamian","A pH Activated Configurational Rotary Switch: Controlling the E/Z Isomerization in Hydrazones","Journal of the American Chemical Society","2009","131","","18269","18271","10.1021/ja909149z","","x-ray","0.71073","MoKα","","0.0733","0.0409","","","0.095","0.1125","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105515","22.4939","0.0013","41.963","0.002","30.9247","0.0017","90","","108.129","0.001","90","","27741","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C231 H215 N27 Na Nd17 Se34 -","- C231 H215 N27 Na Nd17 Se34 -","- C924 H860 N108 Na4 Nd68 Se136 -","4","0.5","","Brian F. Moore; G. Ajith Kumar; Mei-Chee Tan; Jesse Kohl; Richard E. Riman; Mikhail G. Brik; Thomas J. Emge; John G. Brennan","Lanthanide Clusters with Chalcogen Encapsulated Ln: NIR Emission from Nanoscale NdSex","Journal of the American Chemical Society","2011","133","","373","378","10.1021/ja1069322","","","0.71073","MoKα","","0.0828","0.0516","","","0.1425","0.1544","","","","","","1.075","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105516","22.5455","0.0011","42.056","0.002","31.0886","0.0016","90","","108.099","0.001","90","","28019","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C231 H215 Ce17 N27 Na Se34 -","- C231 H215 Ce17 N27 Na Se34 -","- C924 H860 Ce68 N108 Na4 Se136 -","4","0.5","","Brian F. Moore; G. Ajith Kumar; Mei-Chee Tan; Jesse Kohl; Richard E. Riman; Mikhail G. Brik; Thomas J. Emge; John G. Brennan","Lanthanide Clusters with Chalcogen Encapsulated Ln: NIR Emission from Nanoscale NdSex","Journal of the American Chemical Society","2011","133","","373","378","10.1021/ja1069322","","","0.71073","MoKα","","0.0984","0.0509","","","0.1426","0.1623","","","","","","1.066","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105517","10.8106","0.0008","10.8904","0.0008","11.0467","0.0008","85.761","0.001","76.874","0.001","89.456","0.001","1263.07","0.16","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","eistl01","","","- C28 H31 B F2 N4 -","- C28 H31 B F2 N4 -","- C56 H62 B2 F4 N8 -","2","1","","Theodore Lazarides; Theresa M. McCormick; Kristina C. Wilson; Soohyun Lee; David W. McCamant; Richard Eisenberg","Sensitizing the Sensitizer: The Synthesis and Photophysical Study of Bodipy-Pt(II)(diimine)(dithiolate) Conjugates","Journal of the American Chemical Society","2011","133","","350","364","10.1021/ja1070366","","","0.71073","MoKα","","0.0781","0.0487","","","0.1229","0.1379","","","","","","1.023","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105518","37.713","0.003","7.6858","0.0006","22.7719","0.0019","90","","99.304","0.001","90","","6513.7","0.9","100","0.1","100","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","eistl02","","","- C34.5 H36 B Cl F2 N4 Pt S2 -","- C34.5 H36 B Cl F2 N4 Pt S2 -","- C276 H288 B8 Cl8 F16 N32 Pt8 S16 -","8","1","","Theodore Lazarides; Theresa M. McCormick; Kristina C. Wilson; Soohyun Lee; David W. McCamant; Richard Eisenberg","Sensitizing the Sensitizer: The Synthesis and Photophysical Study of Bodipy-Pt(II)(diimine)(dithiolate) Conjugates","Journal of the American Chemical Society","2011","133","","350","364","10.1021/ja1070366","","","0.71073","MoKα","","0.0411","0.0276","","","0.0547","0.0582","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105519","15.0469","0.0011","11.4513","0.0008","13.4908","0.001","90","","103.051","0.001","90","","2264.5","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","eistl06","","","- C24 H28 N2 Pt S2 -","- C24 H28 N2 Pt S2 -","- C96 H112 N8 Pt4 S8 -","4","1","","Theodore Lazarides; Theresa M. McCormick; Kristina C. Wilson; Soohyun Lee; David W. McCamant; Richard Eisenberg","Sensitizing the Sensitizer: The Synthesis and Photophysical Study of Bodipy-Pt(II)(diimine)(dithiolate) Conjugates","Journal of the American Chemical Society","2011","133","","350","364","10.1021/ja1070366","","","0.71073","MoKα","","0.0442","0.0236","","","0.0585","0.0724","","","","","","1.087","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105520","19.3366","0.0009","11.8007","0.0005","25.3005","0.0016","90","","99.686","0.001","90","","5690.9","0.5","90","2","90","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C68 H82 Ge2 -","- C68 H82 Ge2 -","- C272 H328 Ge8 -","4","0.5","","Owen T. Summerscales; J. Oscar C. Jiménez-Halla; Gabriel Merino; Philip P. Power","Unusual Electrocyclic Rearrangements with Group 14 Element Compounds: Reversible Isomerization of a π-Aromatic Digermyl Complex with Carbon-Carbon and Germanium-Germanium Multiple Bond Cleavage","Journal of the American Chemical Society","2011","133","","180","183","10.1021/ja107380p","","","0.71073","MoKα","","0.0339","0.0297","","","0.0753","0.0768","","","","","","1.068","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105521","13.0753","0.0007","34.0196","0.0017","13.3778","0.0007","90","","93.156","0.002","90","","5941.6","0.5","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H92 Ge2 O -","- C72 H92 Ge2 O -","- C288 H368 Ge8 O4 -","4","1","","Owen T. Summerscales; J. Oscar C. Jiménez-Halla; Gabriel Merino; Philip P. Power","Unusual Electrocyclic Rearrangements with Group 14 Element Compounds: Reversible Isomerization of a π-Aromatic Digermyl Complex with Carbon-Carbon and Germanium-Germanium Multiple Bond Cleavage","Journal of the American Chemical Society","2011","133","","180","183","10.1021/ja107380p","","","1.54178","CuKα","","0.0309","0.0298","","","0.1299","0.1348","","","","","","2.059","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105522","12.3808","0.0003","12.7008","0.0003","23.8421","0.0005","92.965","0.001","97.411","0.001","106.948","0.001","3540.49","0.14","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H43.5 N7 Na O51.5 P Re W12 -","- C33 H39 N7 Na O51.5 P Re W12 -","- C66 H78 N14 Na2 O103 P2 Re2 W24 -","2","1","","Jessica Ettedgui; Yael Diskin-Posner; Lev Weiner; Ronny Neumann","Photoreduction of Carbon Dioxide to Carbon Monoxide with Hydrogen Catalyzed by a Rhenium(I) Phenanthroline-Polyoxometalate Hybrid Complex","Journal of the American Chemical Society","2011","133","","188","190","10.1021/ja1078199","","","0.71073","MoKα","","0.0602","0.0395","","","0.0806","0.088","","","","","","1.054","","","","has coordinates,has disorder","286259","2023-09-07","06:03:18",""
"4105523","10.49","0.002","6.2315","0.0012","14.9","0.003","90","","92.2","0.03","90","","973.3","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O6 -","- C20 H32 O6 -","- C40 H64 O12 -","2","1","","K. C. Nicolaou; Jae Hong Seo; Tsuyoshi Nakamura; Robert J. Aversa","Synthesis of the C'D'E'F' Domain of Maitotoxin","Journal of the American Chemical Society","2011","133","","214","219","10.1021/ja109531d","","","0.71073","MoKα","","0.0804","0.0671","","","0.17","0.1802","","","","","","1.092","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105524","5.8955","0.0008","7.4844","0.001","28.011","0.004","90","","90","","90","","1236","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Israel Cano; Eleuterio Álvarez; M. Carmen Nicasio; Pedro J. Pérez","Regioselective Formation of 2,5-Disubstituted Oxazoles Via Copper(I)-Catalyzed Cycloaddition of Acyl Azides and 1-Alkynes","Journal of the American Chemical Society","2011","133","","191","193","10.1021/ja109732s","","","0.71073","MoKα","","0.0608","0.0508","","","0.1133","0.1184","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105525","14.772","0.009","6.001","0.004","19.196","0.009","90","","95.31","0.02","90","","1694.4","1.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O -","- C23 H15 N O -","- C92 H60 N4 O4 -","4","1","","Israel Cano; Eleuterio Álvarez; M. Carmen Nicasio; Pedro J. Pérez","Regioselective Formation of 2,5-Disubstituted Oxazoles Via Copper(I)-Catalyzed Cycloaddition of Acyl Azides and 1-Alkynes","Journal of the American Chemical Society","2011","133","","191","193","10.1021/ja109732s","","","0.71073","MoKα","","0.0942","0.072","","","0.1969","0.2343","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105526","13.7023","0.0002","14.0842","0.0003","23.0481","0.0004","84.632","0.001","76.883","0.001","68.292","0.001","4024.46","0.13","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C154 H147 F48 N13 O16 P8 -","- C154 H147 F48 N13 O16 P8 -","- C154 H147 F48 N13 O16 P8 -","1","0.5","","Lei Fang; Subhadeep Basu; Chi-Hau Sue; Albert C. Fahrenbach; J. Fraser Stoddart","Syntheses and Dynamics of Donor-Acceptor [2]Catenanes in Water","Journal of the American Chemical Society","2011","133","","396","399","10.1021/ja1087562","","","0.71073","MoKα","","0.1828","0.0888","","","0.2401","0.2669","","","","","","1.001","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105527","13.7694","0.0006","14.0822","0.0008","21.339","0.0012","82.096","0.005","88.638","0.004","69.667","0.004","3841.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H78 F12 N10 O14 -","- C79.8315 H78 F12 N10 O14 -","- C159.663 H156 F24 N20 O28 -","2","1","","Lei Fang; Subhadeep Basu; Chi-Hau Sue; Albert C. Fahrenbach; J. Fraser Stoddart","Syntheses and Dynamics of Donor-Acceptor [2]Catenanes in Water","Journal of the American Chemical Society","2011","133","","396","399","10.1021/ja1087562","","","1.54178","CuKα","","0.1456","0.0908","","","0.2557","0.2926","","","","","","0.983","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105528","9.0489","0.0009","11.8543","0.0012","14.1652","0.0014","96.5484","0.0012","99.1573","0.0012","90.8419","0.0012","1489.5","0.3","143","2","143","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H43 N O4 Si -","- C32 H43 N O4 Si -","- C64 H86 N2 O8 Si2 -","2","2","","Christian C. Ventocilla; K. A. Woerpel","Silylene-Mediated Polarity Reversal of Dienoates: Additions of Dienoates to Aldehydes at the δ-Position To Form trans-Dioxasilacyclononenes","Journal of the American Chemical Society","2011","133","","406","408","10.1021/ja109631z","","","0.71073","MoKα","","0.0424","0.0391","","","0.1009","0.1037","","","","","","1.032","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105529","9.5046","0.0006","10.9462","0.0006","11.6723","0.0007","76.749","0.001","84.122","0.001","88.032","0.001","1175.76","0.12","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 O3 Si -","- C24 H38 O3 Si -","- C48 H76 O6 Si2 -","2","1","","Christian C. Ventocilla; K. A. Woerpel","Silylene-Mediated Polarity Reversal of Dienoates: Additions of Dienoates to Aldehydes at the δ-Position To Form trans-Dioxasilacyclononenes","Journal of the American Chemical Society","2011","133","","406","408","10.1021/ja109631z","","","0.71073","MoKα","","0.0379","0.034","","","0.0901","0.0931","","","","","","1.043","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105530","11.0642","0.0007","11.6068","0.0008","15.0911","0.0009","106.687","0.006","97.085","0.005","108.966","0.006","1704.7","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 B2 O4 -","- C38 H42 B2 O4 -","- C76 H84 B4 O8 -","2","1","","Yi Liu; Chunmei Deng; Li Tang; Anjun Qin; Rongrong Hu; Jing Zhi Sun; Ben Zhong Tang","Specific Detection of d-Glucose by a Tetraphenylethene-Based Fluorescent Sensor","Journal of the American Chemical Society","2011","133","","660","663","10.1021/ja107086y","","x-ray","1.5418","CuKα","","0.0827","0.0684","","","0.183","0.1952","","","","","","1.027","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105531","31.117","0.003","51.828","0.003","48.797","0.003","90","","99.95","0.002","90","","77513","10","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C588 H509 B32 F128 N150 O11 Zn16 -","- C588 H498 B28 F118 N150 O11 Zn16 -","- C2352 H1992 B112 F472 N600 O44 Zn64 -","4","0.5","","Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward","Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion","Journal of the American Chemical Society","2011","133","","858","870","10.1021/ja107403p","","","1.54178","CuKα","","0.2594","0.1882","","","0.4695","0.5014","","","","","","1.358","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105532","31.7261","0.0011","56.9758","0.0017","29.7638","0.0009","90","","90","","90","","53802","3","150","2","150","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C216 H180 B12 Cu6 F48 N54 -","- C216 H180 B6 Cu6 F24 N54 -","- C1728 H1440 B48 Cu48 F192 N432 -","8","1","","Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward","Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion","Journal of the American Chemical Society","2011","133","","858","870","10.1021/ja107403p","","","0.71073","MoKα","","0.2267","0.1068","","","0.2721","0.3227","","","","","","0.91","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105533","26.0607","0.0003","26.0607","0.0003","98.7782","0.0014","90","","90","","120","","58098.4","1.3","120","2","120","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C306 H294 B12 F60 N90 Ni8 O36 Si2 -","- C306 H294 B9 F44.04 N90 Ni8 O36 Si2.01 -","- C1836 H1764 B54 F264.24 N540 Ni48 O216 Si12.06 -","6","0.166667","","Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward","Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion","Journal of the American Chemical Society","2011","133","","858","870","10.1021/ja107403p","","","0.71073","MoKα","","0.1462","0.1294","","","0.396","0.4101","","","","","","1.736","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105534","16.8292","0.0003","11.1616","0.0002","18.6043","0.0003","90","","101.781","0.0011","90","","3421.03","0.1","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C35 H30 Cl4 N2 O2 P2 Pt -","- C35 H30 Cl4 N2 O2 P2 Pt -","- C140 H120 Cl16 N8 O8 P8 Pt4 -","4","1","","Urs Gellrich; Jing Huang; Wolfgang Seiche; Manfred Keller; Markus Meuwly; Bernhard Breit","Ligand Self-Assembling through Complementary Hydrogen-Bonding in the Coordination Sphere of a Transition Metal Center: The 6-Diphenylphosphanylpyridin-2(1H)-one System","Journal of the American Chemical Society","2011","133","","964","975","10.1021/ja108639e","","","0.71073","MoKα","","0.025","0.0205","","","0.0478","0.0496","","","","","","1.059","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105535","8.4262","0.0004","9.0456","0.0004","10.2473","0.0006","70.43","0.002","75.028","0.003","79.883","0.003","707.53","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 N O P -","- C17 H14 N O P -","- C34 H28 N2 O2 P2 -","2","1","","Urs Gellrich; Jing Huang; Wolfgang Seiche; Manfred Keller; Markus Meuwly; Bernhard Breit","Ligand Self-Assembling through Complementary Hydrogen-Bonding in the Coordination Sphere of a Transition Metal Center: The 6-Diphenylphosphanylpyridin-2(1H)-one System","Journal of the American Chemical Society","2011","133","","964","975","10.1021/ja108639e","","","0.71073","MoKα","","0.0541","0.038","","","0.0896","0.0963","","","","","","1.031","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105536","18.398","0.0016","14.4711","0.0013","23.748","0.002","90","","107.307","0.001","90","","6036.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(di(hexafluoroacetylacetonate)-zinc(II)- di(hexafluoroacetylacetonate)-lead(II))","","- C20 H4 F24 O8 Pb Zn -","- C20 H4 F24 O8 Pb Zn -","- C160 H32 F192 O64 Pb8 Zn8 -","8","2","","Anantharamulu Navulla; Alexander A. Tsirlin; Artem M. Abakumov; Roman V. Shpanchenko; Haitao Zhang; Evgeny V. Dikarev","Fluorinated Heterometallic β-Diketonates as Volatile Single-Source Precursors for the Synthesis of Low-Valent Mixed-Metal Fluorides","Journal of the American Chemical Society","2011","133","","692","694","10.1021/ja109128r","","","0.71073","MoKα","","0.0635","0.0433","","","0.1092","0.1222","","","","","","1.028","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105537","18.4611","0.0016","12.6354","0.0011","13.6823","0.0011","90","","97.755","0.001","90","","3162.4","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(di(hexafluoroacetylacetonate)-nickel(II)- di(hexafluoroacetylacetonate)-lead(II))","","- C20 H4 F24 Ni O8 Pb -","- C20 H4 F24 Ni O8 Pb -","- C80 H16 F96 Ni4 O32 Pb4 -","4","0.5","","Anantharamulu Navulla; Alexander A. Tsirlin; Artem M. Abakumov; Roman V. Shpanchenko; Haitao Zhang; Evgeny V. Dikarev","Fluorinated Heterometallic β-Diketonates as Volatile Single-Source Precursors for the Synthesis of Low-Valent Mixed-Metal Fluorides","Journal of the American Chemical Society","2011","133","","692","694","10.1021/ja109128r","","","0.71073","MoKα","","0.0625","0.0538","","","0.1433","0.1516","","","","","","1.045","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105538","11.443","0.002","22.897","0.005","12.674","0.003","90","","109.2","0.03","90","","3136","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(di(hexafluoroacetylacetonate)-cobalt(II)- di(hexafluoroacetylacetonate)-lead(II))","","- C20 H4 Co F24 O8 Pb -","- C20 H4 Co F24 O8 Pb -","- C80 H16 Co4 F96 O32 Pb4 -","4","0.5","","Anantharamulu Navulla; Alexander A. Tsirlin; Artem M. Abakumov; Roman V. Shpanchenko; Haitao Zhang; Evgeny V. Dikarev","Fluorinated Heterometallic β-Diketonates as Volatile Single-Source Precursors for the Synthesis of Low-Valent Mixed-Metal Fluorides","Journal of the American Chemical Society","2011","133","","692","694","10.1021/ja109128r","","","0.71073","MoKα","","0.0601","0.0597","","","0.1562","0.1564","","","","","","1.204","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105539","11.4406","0.0006","12.3702","0.0007","13.582","0.0008","65.896","0.001","66.64","0.001","64.316","0.001","1523.87","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","catena-(di(hexafluoroacetylacetonate)-iron(II)- di(hexafluoroacetylacetonate)-lead(II))","","- C20 H4 F24 Fe O8 Pb -","- C20 H4 F24 Fe O8 Pb -","- C40 H8 F48 Fe2 O16 Pb2 -","2","1","","Anantharamulu Navulla; Alexander A. Tsirlin; Artem M. Abakumov; Roman V. Shpanchenko; Haitao Zhang; Evgeny V. Dikarev","Fluorinated Heterometallic β-Diketonates as Volatile Single-Source Precursors for the Synthesis of Low-Valent Mixed-Metal Fluorides","Journal of the American Chemical Society","2011","133","","692","694","10.1021/ja109128r","","","0.71073","MoKα","","0.0418","0.0384","","","0.0964","0.0991","","","","","","1.03","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105540","4.999","0.0012","9.208","0.003","16.145","0.004","90","","90","","90","","743.2","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 F N2 O3 -","- C5 H9 F N2 O3 -","- C20 H36 F4 N8 O12 -","4","1","","Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung","Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors","Journal of the American Chemical Society","2011","133","","1122","1133","10.1021/ja109203d","","","0.71073","MoKα","","0.0297","0.0288","","","0.0719","0.0728","","","","","","1.092","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105541","4.9856","0.0008","9.1624","0.0013","16.117","0.002","90","","90","","90","","736.23","0.18","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 F N2 O3 -","- C5 H9 F N2 O3 -","- C20 H36 F4 N8 O12 -","4","1","","Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung","Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors","Journal of the American Chemical Society","2011","133","","1122","1133","10.1021/ja109203d","","","0.71073","MoKα","","0.026","0.0233","","","0.0562","0.0577","","","","","","1.08","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105542","5.8761","0.0005","12.7456","0.0012","19.2364","0.0018","105.615","0.006","90.264","0.006","93.624","0.006","1384.4","0.2","143","1","143","1","","","","","","","","5","P 1","P 1","1","","","","- C24 H39 F N2 O9 -","- C24 H39 F N2 O9 -","- C48 H78 F2 N4 O18 -","2","2","","Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung","Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors","Journal of the American Chemical Society","2011","133","","1122","1133","10.1021/ja109203d","","","0.71073","MoKα","","0.0504","0.044","","","0.1118","0.1161","","","","","","1.032","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105543","5.8599","0.0004","12.7267","0.0009","19.2131","0.0012","105.576","0.004","90.305","0.004","93.135","0.004","1377.87","0.16","93","1","93","1","","","","","","","","5","P 1","P 1","1","","","","- C24 H39 F N2 O9 -","- C24 H39 F N2 O9 -","- C48 H78 F2 N4 O18 -","2","2","","Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung","Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors","Journal of the American Chemical Society","2011","133","","1122","1133","10.1021/ja109203d","","","0.71073","MoKα","","0.0488","0.0446","","","0.1157","0.1196","","","","","","1.065","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105544","13.935","0.006","14.557","0.006","17.158","0.009","83.02","0.02","80.76","0.02","63.387","0.014","3067","2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","7","","","- C72 H59 B F15 Hf N3 -","- C72 H59 B F15 Hf N3 -","- C144 H118 B2 F30 Hf2 N6 -","2","1","","Hayato Tsurugi; Koji Yamamoto; Kazushi Mashima","Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C-H Activations by Alkylhafnium Complexes","Journal of the American Chemical Society","2011","133","","732","735","10.1021/ja1100118","","","0.71075","MoKα","","0.1249","0.0692","","","0.1559","0.2215","","","","","","1.06","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105545","11.116","0.004","26.089","0.009","11.661","0.004","90","","96.79","0.005","90","","3358","2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2","","","- C41 H44 Hf N2 -","- C41 H44 Hf N2 -","- C164 H176 Hf4 N8 -","4","1","","Hayato Tsurugi; Koji Yamamoto; Kazushi Mashima","Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C-H Activations by Alkylhafnium Complexes","Journal of the American Chemical Society","2011","133","","732","735","10.1021/ja1100118","","","0.71075","MoKα","","0.1349","0.078","","","0.1752","0.2183","","","","","","1.043","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105546","11.146","0.007","13.285","0.006","19.22","0.011","69.96","0.02","88.4","0.03","69.84","0.02","2497","2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","5","","","- C58 H67 Hf N3 -","- C58 H67 Hf N3 -","- C116 H134 Hf2 N6 -","2","1","","Hayato Tsurugi; Koji Yamamoto; Kazushi Mashima","Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C-H Activations by Alkylhafnium Complexes","Journal of the American Chemical Society","2011","133","","732","735","10.1021/ja1100118","","","0.71075","MoKα","","0.0491","0.043","","","0.1143","0.1266","","","","","","1.118","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105547","15.052","0.005","15.792","0.005","16.173","0.006","90","","97.127","0.003","90","","3815","2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6","","","- C46 H49 Hf N3 -","- C46 H49 Hf N3 -","- C184 H196 Hf4 N12 -","4","1","","Hayato Tsurugi; Koji Yamamoto; Kazushi Mashima","Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C-H Activations by Alkylhafnium Complexes","Journal of the American Chemical Society","2011","133","","732","735","10.1021/ja1100118","","","0.71075","MoKα","","0.0434","0.0358","","","0.0816","0.0853","","","","","","1.12","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105548","42.153","0.001","42.153","0.001","42.153","0.001","90","","90","","90","","74901","3","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C33 H15 Cu3 N3 O18 -","- C33 H15 Cu3 N3 O18 -","- C1056 H480 Cu96 N96 O576 -","32","0.166667","","Baishu Zheng; Junfeng Bai; Jingui Duan; Lukasz Wojtas; Michael J. Zaworotko","Enhanced CO2 Binding Affinity of a High-Uptakerht-Type Metal-Organic Framework Decorated with Acylamide Groups","Journal of the American Chemical Society","2011","133","","748","751","10.1021/ja110042b","","","0.71073","MoKα","","0.0767","0.0553","","","0.151","0.1635","","","","","","1.108","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105549","42.3067","0.0007","42.3067","0.0007","42.3067","0.0007","90","","90","","90","","75723","2","298","2","298","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C34.5 H15 Co3 N3.75 O25.07 -","- C34.5 H15 Co3 N3.75 O25.135 -","- C1104 H480 Co96 N120 O804.32 -","32","0.333333","","Baishu Zheng; Junfeng Bai; Jingui Duan; Lukasz Wojtas; Michael J. Zaworotko","Enhanced CO2 Binding Affinity of a High-Uptakerht-Type Metal-Organic Framework Decorated with Acylamide Groups","Journal of the American Chemical Society","2011","133","","748","751","10.1021/ja110042b","","","0.71073","MoKα","","0.1657","0.0818","","","0.2115","0.2613","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105550","17.515","0.003","28.008","0.004","29.362","0.004","90","","90","","90","","14404","4","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C89 H86 Cl2 N2 Ni O5 -","- C89 H86 Cl2 N2 Ni O5 -","- C712 H688 Cl16 N16 Ni8 O40 -","8","0.5","","Carl A. Laskowski; Alexander J. M. Miller; Gregory L. Hillhouse; Thomas R. Cundari","A Two-Coordinate Nickel Imido Complex That Effects C-H Amination","Journal of the American Chemical Society","2011","133","","771","773","10.1021/ja1101213","","","0.71073","MoKα","","0.0947","0.0718","","","0.1725","0.1832","","","","","","0.982","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105551","13.3746","0.001","24.1618","0.0018","23.9714","0.0018","90","","103.287","0.002","90","","7539.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C97 H91 N3 Ni O -","- C97 H91 N3 Ni O -","- C388 H364 N12 Ni4 O4 -","4","1","","Carl A. Laskowski; Alexander J. M. Miller; Gregory L. Hillhouse; Thomas R. Cundari","A Two-Coordinate Nickel Imido Complex That Effects C-H Amination","Journal of the American Chemical Society","2011","133","","771","773","10.1021/ja1101213","","","0.71073","MoKα","","0.108","0.0553","","","0.0843","0.091","","","","","","0.925","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105552","10.975","0.0006","16.026","0.0009","19.376","0.0011","79.074","0.001","85.095","0.001","89.287","0.001","3333.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C87 H80 N2 Ni -","- C87 H80 N2 Ni -","- C174 H160 N4 Ni2 -","2","1","","Carl A. Laskowski; Alexander J. M. Miller; Gregory L. Hillhouse; Thomas R. Cundari","A Two-Coordinate Nickel Imido Complex That Effects C-H Amination","Journal of the American Chemical Society","2011","133","","771","773","10.1021/ja1101213","","","0.71073","MoKα","","0.041","0.036","","","0.0967","0.0988","","","","","","1.097","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105553","8.6114","0.0004","14.2075","0.0006","12.6871","0.0006","90","","104.609","0.003","90","","1502.04","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","2","","Sergiy Levin; Roger R. Nani; Sarah E. Reisman","Enantioselective Total Synthesis of (+)-Salvileucalin B","Journal of the American Chemical Society","2011","133","","774","776","10.1021/ja110192b","","","0.71073","MoKα","","0.0565","0.0443","","","0.0518","0.0539","","","","","","1.675","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105554","7.3019","0.0006","9.615","0.009","13.028","0.002","75.958","0.005","75.473","0.005","80.71","0.006","854","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C40 H36 N4 O10 -","2","1","","Jason R. Zbieg; Emma L. McInturff; Joyce C. Leung; Michael J. Krische","Amplification of Anti-Diastereoselectivity via Curtin-Hammett Effects in Ruthenium-Catalyzed Hydrohydroxyalkylation of 1,1-Disubstituted Allenes: Diastereoselective Formation of All-Carbon Quaternary Centers","Journal of the American Chemical Society","2011","133","","1141","1144","10.1021/ja1104156","","","1.5418","CuKα","","0.1241","0.0688","","","0.1592","0.2202","","","","","","1.198","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105555","17.91","0.004","13.236","0.003","23.515","0.005","90","","90","","90","","5574","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","compound 6","","","- C57 H66 N2 O9 Sn W -","- C57 H66 N2 O9 Sn W -","- C228 H264 N8 O36 Sn4 W4 -","4","1","","S. M. Ibrahim Al-Rafia; Adam C. Malcolm; Sean K. Liew; Michael J. Ferguson; Eric Rivard","Stabilization of the Heavy Methylene Analogues, GeH2 and SnH2, within the Coordination Sphere of a Transition Metal","Journal of the American Chemical Society","2011","133","","777","779","10.1021/ja1106223","","","0.71073","MoKα","","0.0258","0.0227","","","0.0506","0.0515","","","","","","1.118","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105556","14.33","0.006","19.457","0.008","26.718","0.01","90","","90","","90","","7449","5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 3","","","- C33.5 H41.5 N2 O5 Sn W -","- C33.5 H41.5 N2 O5 Sn W -","- C268 H332 N16 O40 Sn8 W8 -","8","1","","S. M. Ibrahim Al-Rafia; Adam C. Malcolm; Sean K. Liew; Michael J. Ferguson; Eric Rivard","Stabilization of the Heavy Methylene Analogues, GeH2 and SnH2, within the Coordination Sphere of a Transition Metal","Journal of the American Chemical Society","2011","133","","777","779","10.1021/ja1106223","","","0.71073","MoKα","","0.0489","0.0446","","","0.1565","0.16","","","","","","1.173","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105557","14.6626","0.0005","19.5017","0.0006","26.3383","0.0008","90","","90","","90","","7531.3","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 5","","","- C36 H46 Ge N2 O6 W -","- C36 H46 Ge N2 O6 W -","- C288 H368 Ge8 N16 O48 W8 -","8","1","","S. M. Ibrahim Al-Rafia; Adam C. Malcolm; Sean K. Liew; Michael J. Ferguson; Eric Rivard","Stabilization of the Heavy Methylene Analogues, GeH2 and SnH2, within the Coordination Sphere of a Transition Metal","Journal of the American Chemical Society","2011","133","","777","779","10.1021/ja1106223","","","0.71073","MoKα","","0.0224","0.0175","","","0.0447","0.0474","","","","","","1.037","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105558","26.4514","0.0019","9.6762","0.0007","19.9287","0.0014","90","","95.38","0.001","90","","5078.3","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 B Cl2 F7 O3 S -","- C22 H26 B Cl2 F7 O3 S -","- C176 H208 B8 Cl16 F56 O24 S8 -","8","2","","Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky","Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control","Journal of the American Chemical Society","2011","133","","752","755","10.1021/ja1107707","","","0.71073","MoKα","","0.1353","0.0675","","","0.1711","0.2096","","","","","","1.034","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105559","16.716","0.015","8.052","0.007","18.649","0.016","90","","104.928","0.012","90","","2425","4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 B Cl2 F7 O3 S -","- C21 H24 B Cl2 F7 O3 S -","- C84 H96 B4 Cl8 F28 O12 S4 -","4","1","","Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky","Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control","Journal of the American Chemical Society","2011","133","","752","755","10.1021/ja1107707","","","0.71073","MoKα","","0.3357","0.1431","","","0.2854","0.3614","","","","","","1.102","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105560","13.182","0.003","19.464","0.005","14.135","0.004","90","","91.468","0.004","90","","3625.5","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O2 S -","- C21 H26 O2 S -","- C168 H208 O16 S8 -","8","2","","Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky","Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control","Journal of the American Chemical Society","2011","133","","752","755","10.1021/ja1107707","","","0.71073","MoKα","","0.0906","0.0477","","","0.1004","0.1183","","","","","","1.014","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105561","5.9163","0.0011","11.863","0.002","26.721","0.005","90","","90","","90","","1875.4","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O2 S -","- C21 H28 O2 S -","- C84 H112 O8 S4 -","4","1","","Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky","Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control","Journal of the American Chemical Society","2011","133","","752","755","10.1021/ja1107707","","","0.71073","MoKα","","0.0701","0.0454","","","0.0873","0.0966","","","","","","1.017","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105562","8.6394","0.0002","11.5514","0.0002","14.9011","0.0003","76.524","0.001","79.205","0.001","85.115","0.001","1419.21","0.05","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H38 F6 Fe2 N2 P S2 -","- C22 H38 F6 Fe2 N2 P S2 -","- C44 H76 F12 Fe4 N4 P2 S4 -","2","1","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.0464","0.0378","","","0.1073","0.1123","","","","","","1.041","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105563","18.55","0.0012","10.6374","0.0006","16.4567","0.0009","90","","112.265","0.004","90","","3005.2","0.3","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 F6 Fe2 N2 P S2 -","- C24 H42 F6 Fe2 N2 P S2 -","- C96 H168 F24 Fe8 N8 P4 S8 -","4","1","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.0662","0.0485","","","0.1351","0.1448","","","","","","1.083","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105564","18.427","0.004","10.218","0.002","13.047","0.003","90","","90","","90","","2456.6","0.9","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H38 Fe2 N2 S2 -","- C22 H38 Fe2 N2 S2 -","- C88 H152 Fe8 N8 S8 -","4","0.5","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.0925","0.052","","","0.0992","0.1087","","","","","","1.025","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105565","10.422","0.004","17.643","0.006","17.751","0.006","90","","90.305","0.007","90","","3264","2","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 F6 Fe2 N0 P S2 -","- C30 H42 F6 Fe2 P S2 -","- C120 H168 F24 Fe8 P4 S8 -","4","1","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.0819","0.056","","","0.1003","0.1063","","","","","","0.902","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105566","35.483","0.014","10.195","0.004","21.444","0.009","90","","120.299","0.005","90","","6698","5","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 F6 Fe2 P S2 -","- C32 H46 F6 Fe2 P S2 -","- C256 H368 F48 Fe16 P8 S16 -","8","1","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.0685","0.047","","","0.1276","0.1366","","","","","","1.072","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105567","13.948","0.0009","14.6111","0.0011","15.6505","0.0013","90","","110.934","0.004","90","","2979","0.4","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H41 F6 Fe2 N0 P S2 -","- C26 H41 F6 Fe2 P S2 -","- C104 H164 F24 Fe8 P4 S8 -","4","1","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.111","0.0609","","","0.1551","0.1749","","","","","","0.999","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105568","14.4552","0.0002","8.5295","0.0005","15.6713","0.0004","90","","90","","90","","1932.2","0.13","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","gloria03","gloria03","","- C12 H25 F3 Fe N5 O4 S2 -","- C12 H25 F3 Fe N5 O4 S2 -","- C48 H100 F12 Fe4 N20 O16 S8 -","4","0.5","","Gloria Villar-Acevedo; Elaine Nam; Sarah Fitch; Jason Benedict; John Freudenthal; Werner Kaminsky; Julie A. Kovacs","Influence of Thiolate Ligands on Reductive N-O Bond Activation. Probing the O2-Binding Site of a Biomimetic Superoxide Reductase Analogue and Examining the Proton-Dependent Reduction of Nitrite","Journal of the American Chemical Society","2011","133","","1419","1427","10.1021/ja107551u","","","0.71073","MoKα","","0.0822","0.0514","","","0.1268","0.1413","","","","","","1.025","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105569","13.626","0.0005","8.579","0.0009","15.887","0.001","90","","90","","90","","1857.1","0.2","130","2","130","2","","","","","","","","8","P n m a","-P 2ac 2n","62","575nm","575nm","","- C11 H25 F6 Fe N5 O2 P S -","- C11 H25 F6 Fe N5 O2 P S -","- C44 H100 F24 Fe4 N20 O8 P4 S4 -","4","0.5","","Gloria Villar-Acevedo; Elaine Nam; Sarah Fitch; Jason Benedict; John Freudenthal; Werner Kaminsky; Julie A. Kovacs","Influence of Thiolate Ligands on Reductive N-O Bond Activation. Probing the O2-Binding Site of a Biomimetic Superoxide Reductase Analogue and Examining the Proton-Dependent Reduction of Nitrite","Journal of the American Chemical Society","2011","133","","1419","1427","10.1021/ja107551u","","","0.71073","MoKα","","0.2284","0.0707","","","0.1326","0.1865","","","","","","1.018","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105570","8.7685","0.0009","14.598","0.0016","38.368","0.004","90","","90","","90","","4911.2","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H81 N O15 -","- C42 H81 N O15 -","- C168 H324 N4 O60 -","4","1","","Jian Tian; Scott J. Dalgarno; Jerry L. Atwood","A New Strategy of Transforming Pharmaceutical Crystal Forms","Journal of the American Chemical Society","2011","133","","1399","1404","10.1021/ja107617m","","","0.71073","MoKα","","0.0799","0.0573","","","0.1381","0.1501","","","","","","1.042","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105571","11.458","0.0004","15.084","0.0003","18.391","0.0006","90","","90","","90","","3178.56","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 O P S -","- C20 H13 O P S -","- C160 H104 O8 P8 S8 -","8","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0703","0.0525","","","0.1462","0.1604","","","","","","1.201","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105572","8.474","0.0003","11.042","0.0003","12.124","0.0004","107.154","0.002","93.401","0.002","104.965","0.002","1035.87","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 F3 O3 P S2 -","- C22 H16 F3 O3 P S2 -","- C44 H32 F6 O6 P2 S4 -","2","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0473","0.0414","","","0.1028","0.1101","","","","","","1.073","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105573","8.36","0.0006","9.691","0.0005","11.085","0.0008","67.738","0.004","83.274","0.003","75.59","0.004","804.72","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 O2 P S -","- C20 H13 O2 P S -","- C40 H26 O4 P2 S2 -","2","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0584","0.047","","","0.1225","0.1417","","","","","","1.139","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105574","7.91","0.0003","11.238","0.0003","15.195","0.0005","91.953","0.002","97.815","0.002","102.315","0.002","1304.61","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 F3 O6 P S2 -","- C25 H22 F3 O6 P S2 -","- C50 H44 F6 O12 P2 S4 -","2","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0575","0.0451","","","0.117","0.1377","","","","","","1.12","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105575","7.599","0.0001","11.92","0.0002","23.585","0.0004","90","","90","","90","","2136.33","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 O2 P S -","- C26 H23 O2 P S -","- C104 H92 O8 P4 S4 -","4","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0451","0.0421","","","0.1166","0.12","","","","","","1.153","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105576","10.005","0.0003","23.945","0.0012","9.833","0.0004","90","","108.515","0.002","90","","2233.76","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H12 F5 O2 P S -","- C27 H12 F5 O2 P S -","- C108 H48 F20 O8 P4 S4 -","4","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.1315","0.0928","","","0.164","0.1847","","","","","","1.203","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105577","6.5874","0.0003","21.8493","0.0009","15.5021","0.0007","90","","91.324","0.004","90","","2230.62","0.17","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl N O3 S -","- C25 H28 Cl N O3 S -","- C100 H112 Cl4 N4 O12 S4 -","4","1","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","0.71073","MoKα","","0.0708","0.0391","","","0.0752","0.0791","","","","","","1.005","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105578","11.0057","0.0002","15.2127","0.0003","24.8627","0.0003","90","","98.133","0.001","90","","4120.81","0.12","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 F6 O8 Pd2 S2 -","- C40 H46 F6 O8 Pd2 S2 -","- C160 H184 F24 O32 Pd8 S8 -","4","1","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","1.54184","CuKα","","0.0553","0.0354","","","0.0537","0.0559","","","","","","1.031","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105579","9.8001","0.0003","17.2851","0.0008","19.9404","0.0005","90","","90","","90","","3377.8","0.2","291","2","291","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl3 F3 N O6 Pd S2 -","- C28 H33 Cl3 F3 N O6 Pd S2 -","- C112 H132 Cl12 F12 N4 O24 Pd4 S8 -","4","1","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","1.54184","CuKα","","0.0651","0.05","","","0.1176","0.1225","","","","","","1.017","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105580","12.095","0.005","12.781","0.005","15.3","0.005","71.594","0.005","86.857","0.005","78.665","0.005","2200.3","1.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 F6 O6 Pd2 -","- C42 H46 F6 O6 Pd2 -","- C84 H92 F12 O12 Pd4 -","2","1","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","1.54184","CuKα","","0.12","0.0632","","","0.1458","0.1563","","","","","","1.015","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105581","11.0983","0.0006","13.4473","0.0008","15.9684","0.0006","96.267","0.004","99.984","0.004","98.252","0.005","2300.7","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H86 Cl8 F6 N8 O22 Pd2 S10 -","- C66 H86 Cl8 F6 N8 O22 Pd2 S10 -","- C66 H86 Cl8 F6 N8 O22 Pd2 S10 -","1","0.5","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","0.71073","MoKα","","0.1377","0.1054","","","0.3295","0.3411","","","","","","1.091","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105582","10.7141","0.0006","24.593","0.002","30.357","0.002","90","","96.391","0.006","90","","7949.1","0.9","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl N2 O5 S2 -","- C26 H25 Cl N2 O5 S2 -","- C312 H300 Cl12 N24 O60 S24 -","12","3","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","1.54184","CuKα","","0.1288","0.0729","","","0.159","0.1972","","","","","","1.026","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105583","6.0541","0.0002","14.8692","0.0005","33.1481","0.0008","90","","90","","90","","2983.98","0.16","173","2","173","2","","","","","","","C. S. Lee / Prof. C. Forsyth","4","P 21 21 21","P 2ac 2ab","19","97051a","","","- C23 H39 N O7 -","- C23 H39 N O7 -","- C92 H156 N4 O28 -","4","1","","Bo Wang; T. Matthew Hansen; Ting Wang; Dimao Wu; Lynn Weyer; Lu Ying; Mary M. Engler; Melissa Sanville; Christopher Leitheiser; Mathias Christmann; Yingtao Lu; Jiehao Chen; Nicholas Zunker; Russell D. Cink; Feryan Ahmed; Chi-Sing Lee; Craig J. Forsyth","Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Strategy and Component Assembly","Journal of the American Chemical Society","2011","133","","1484","1505","10.1021/ja108906e","","","0.71073","MoKα","","0.0896","0.0578","","0.1417","0.133","","","","0.974","1.196","1.196","","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105584","9.1219","0.001","9.797","0.0011","14.6276","0.0016","90","","98.977","0.002","90","","1291.2","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","02139","","","- C25 H37 N O7 -","- C25 H37 N O7 -","- C50 H74 N2 O14 -","2","1","","Bo Wang; T. Matthew Hansen; Ting Wang; Dimao Wu; Lynn Weyer; Lu Ying; Mary M. Engler; Melissa Sanville; Christopher Leitheiser; Mathias Christmann; Yingtao Lu; Jiehao Chen; Nicholas Zunker; Russell D. Cink; Feryan Ahmed; Chi-Sing Lee; Craig J. Forsyth","Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Strategy and Component Assembly","Journal of the American Chemical Society","2011","133","","1484","1505","10.1021/ja108906e","","","0.71073","MoKα","","0.0309","0.0295","","","0.0716","0.0723","","","","","","1.049","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105585","15.3315","0.0009","8.2072","0.0005","17.2595","0.0011","90","","99.414","0.001","90","","2142.5","0.2","173","2","173","2","","","","","","","R. Cink / Prof. C. Forsyth","4","P 1 21 1","P 2yb","4","96202","","","- C41 H62 O8 Si2 -","- C41 H62 O8 Si2 -","- C82 H124 O16 Si4 -","2","1","","Bo Wang; T. Matthew Hansen; Ting Wang; Dimao Wu; Lynn Weyer; Lu Ying; Mary M. Engler; Melissa Sanville; Christopher Leitheiser; Mathias Christmann; Yingtao Lu; Jiehao Chen; Nicholas Zunker; Russell D. Cink; Feryan Ahmed; Chi-Sing Lee; Craig J. Forsyth","Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Strategy and Component Assembly","Journal of the American Chemical Society","2011","133","","1484","1505","10.1021/ja108906e","","","0.71073","MoKα","","0.2103","0.094","","0.1952","0.1477","","","","0.953","1.171","1.171","","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105586","21.3411","0.0002","21.3411","0.0002","27.0738","0.0003","90","","90","","90","","12330.6","0.2","173","2","173","2","","","","","","","R. Cink / Prof. C. Forsyth","5","I 4","I 4","79","97329b","","","- C55 H74 N2 O10 Si -","- C55 H74 N2 O10 Si -","- C440 H592 N16 O80 Si8 -","8","1","","Bo Wang; T. Matthew Hansen; Lynn Weyer; Dimao Wu; Ting Wang; Mathias Christmann; Yingtao Lu; Lu Ying; Mary M. Engler; Russell D. Cink; Chi-Sing Lee; Feryan Ahmed; Craig J. Forsyth","Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Convergent Total Synthesis","Journal of the American Chemical Society","2011","133","","1506","1516","10.1021/ja1089099","","","0.71073","MoKα","","0.1186","0.0712","","0.1939","0.1711","","","","1.008","1.21","1.21","","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105587","8.6927","0.0005","14.146","0.0007","11.0283","0.0006","90","","101.858","0.006","90","","1327.18","0.13","100","2","100","2","","","","","","","Didier Pintori","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Didier G. Pintori; Michael F. Greaney","Intramolecular Oxidative C-H Coupling for Medium-Ring Synthesis","Journal of the American Chemical Society","2011","133","","1209","1211","10.1021/ja1090854","","","0.7107","MoKα","","0.0584","0.0393","","","0.0966","0.1032","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105588","11.8879","0.0003","9.0693","0.0003","12.4154","0.0003","90","","92.315","0.002","90","","1337.47","0.06","100","","100","","","","","","","","Didier Pintori - reaction DP803B","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F N O -","- C18 H14 F N O -","- C72 H56 F4 N4 O4 -","4","1","","Didier G. Pintori; Michael F. Greaney","Intramolecular Oxidative C-H Coupling for Medium-Ring Synthesis","Journal of the American Chemical Society","2011","133","","1209","1211","10.1021/ja1090854","","","1.54178","CuKα","","0.0429","0.0367","","0.1024","0.0995","0.1024","","","","","","0.9536","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105589","11.018","0.002","12.439","0.003","12.576","0.003","118.73","0.03","99.56","0.03","91.47","0.03","1479.3","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) di-2,6-naphthalenedicarboxylate_10 H2O (I)","","","- C62 H66 N10 O18 -","- C62 H66 N10 O18 -","- C62 H66 N10 O18 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes","Journal of the American Chemical Society","2011","133","","1526","1533","10.1021/ja109102k","","","0.71073","MoKα","","0.0864","0.0766","","","0.1924","0.2016","","","","","","1.012","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105590","10.421","0.002","11.556","0.002","14.011","0.003","98.76","0.03","109.73","0.03","101.49","0.03","1511.7","0.7","223","2","223","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) di-terephthalate_16 H20","","","- C54 H42 N10 O24 -","- C54 H42 N10 O24.02 -","- C54 H42 N10 O24.02 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes","Journal of the American Chemical Society","2011","133","","1526","1533","10.1021/ja109102k","","","0.71073","MoKα","","0.1687","0.1062","","","0.2257","0.2814","","","","","","0.966","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105591","10.807","0.002","12.716","0.003","14.113","0.003","69.89","0.03","82.26","0.03","72.19","0.03","1733","0.8","223","2","223","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) di-4,4""-biphenyl dicarboxylate_2DMF_7.5H2O","","","- C72 H64 N12 O17.5 -","- C72 H64 N12 O17.52 -","- C72 H64 N12 O17.52 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes","Journal of the American Chemical Society","2011","133","","1526","1533","10.1021/ja109102k","","","0.71073","MoKα","","0.0872","0.08","","","0.2008","0.2068","","","","","","0.871","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105592","11.431","0.002","13.858","0.003","15.183","0.003","116.2","0.003","91.13","0.003","113.54","0.003","1921.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H52 Ag2 N10 O28 -","- C74 H52 Ag2 N10 O28 -","- C74 H52 Ag2 N10 O28 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes","Journal of the American Chemical Society","2011","133","","1526","1533","10.1021/ja109102k","","","0.71073","MoKα","","0.124","0.0925","","","0.1959","0.2209","","","","","","0.978","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105593","15.5209","0.0006","15.5209","0.0006","39.8268","0.0018","90","","90","","120","","8308.8","0.6","296","2","296","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C81 H116 B6 F24 N18 O22 Pd3 -","- C81 H115.99 B6 F24 N18 O22 Pd3 -","- C243 H347.97 B18 F72 N54 O66 Pd9 -","3","0.333333","","Tae Hwan Noh; Eunjung Heo; Kang Hyun Park; Ok-Sang Jung","Motion of an Isolated Water Molecule within a Flexible Coordination Cage: Structural Properties and Catalytic Effects of Ionic Palladium(II) Complexes","Journal of the American Chemical Society","2011","133","","1236","1239","10.1021/ja1093925","","","0.71073","MoKα","","0.0625","0.0505","","","0.1333","0.1466","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105594","15.5257","0.0001","15.5257","0.0001","40.6727","0.0007","90","","90","","120","","8490.55","0.17","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C81 H116 Cl6 N18 O47 Pd3 -","- C81 H115.99 Cl6 N18 O47 Pd3 -","- C243 H347.97 Cl18 N54 O141 Pd9 -","3","0.333333","","Tae Hwan Noh; Eunjung Heo; Kang Hyun Park; Ok-Sang Jung","Motion of an Isolated Water Molecule within a Flexible Coordination Cage: Structural Properties and Catalytic Effects of Ionic Palladium(II) Complexes","Journal of the American Chemical Society","2011","133","","1236","1239","10.1021/ja1093925","","","0.71073","MoKα","","0.0706","0.0321","","","0.0605","0.0654","","","","","","0.732","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105595","10.125","0.002","13.433","0.003","13.925","0.003","88.83","0.03","69.82","0.03","89.81","0.03","1777.3","0.7","210","2","210","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H38 Si2 -","- C44 H38 Si2 -","- C88 H76 Si4 -","2","1","","Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann","Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands","Journal of the American Chemical Society","2011","133","","1257","1259","10.1021/ja109604t","","","0.71073","MoKα","","0.0628","0.0411","","","0.0923","0.0977","","","","","","0.87","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105596","11.06097","0.00014","22.5577","0.0003","32.3831","0.0005","90","","90","","90","","8079.91","0.19","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","STOE & CIE GmbH Hilpertstr. 10 D-64295 Darmstadt Germany","","- C96 H92 K O4 Sc Si4 -","- C96 H92 K O4 Sc Si4 -","- C384 H368 K4 O16 Sc4 Si16 -","4","1","","Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann","Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands","Journal of the American Chemical Society","2011","133","","1257","1259","10.1021/ja109604t","","","0.71073","MoKα","","0.0506","0.0427","","","0.0905","0.0931","","","","","","1.084","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105597","14.375","0.006","14.42","0.006","28.45","0.007","88.31","0.03","82.44","0.03","63.69","0.03","5238","4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H124 Ce Li O4 Si4 -","- C124 H124 Ce Li O4 Si4 -","- C248 H248 Ce2 Li2 O8 Si8 -","2","1","","Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann","Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands","Journal of the American Chemical Society","2011","133","","1257","1259","10.1021/ja109604t","","","0.71073","MoKα","","0.0537","0.0377","","","0.0843","0.0886","","","","","","0.945","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105598","13.32","0.001","17.329","0.002","16.4549","0.001","90","","112.23","0.02","90","","3515.9","0.7","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C88 H72 Ce Si4 -","- C88 H72 Ce Si4 -","- C176 H144 Ce2 Si8 -","2","0.5","","Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann","Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands","Journal of the American Chemical Society","2011","133","","1257","1259","10.1021/ja109604t","","","0.71073","MoKα","","0.0715","0.031","","","0.0601","0.0639","","","","","","0.698","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105599","11.6569","0.0008","25.6459","0.0017","26.8855","0.0017","90","","94.549","0.0008","90","","8012.1","0.9","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C102 H88 Si4 U -","- C102 H88 Si4 U -","- C408 H352 Si16 U4 -","4","0.5","","Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann","Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands","Journal of the American Chemical Society","2011","133","","1257","1259","10.1021/ja109604t","","","0.71073","MoKα","","0.0438","0.0291","","","0.0582","0.0636","","","","","","1.058","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105600","19.6998","0.0006","14.7348","0.0005","15.5859","0.0005","90","","90","","90","","4524.2","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Sc3N@l,2-fullero[80(Ih)]benzyne (5,6 isomer) carbon disulfide disolvate'","","","- C88 H4 N S4 Sc3 -","- C88 H4 N S4 Sc3 -","- C352 H16 N4 S16 Sc12 -","4","0.5","","Fang-Fang Li; Julio R. Pinzón; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch; Luis Echegoyen","[2 + 2] Cycloaddition Reaction to Sc3N@Ih-C80. The Formation of Very Stable [5,6]- and [6,6]-Adducts","Journal of the American Chemical Society","2011","133","","1563","1571","10.1021/ja1097176","","","0.7749","synchrotron","","0.0699","0.0662","","","0.1962","0.2011","","","","","","1.052","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105601","14.7764","0.0004","15.6777","0.0005","19.5438","0.0006","90","","90","","90","","4527.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sc3N@l,2-fullero[80(Ih)]benzyne (6,6 isomer) carbon disulfide disolvate","","","- C88 H4 N S4 Sc3 -","- C88 H4 N S4 Sc3 -","- C352 H16 N4 S16 Sc12 -","4","1","","Fang-Fang Li; Julio R. Pinzón; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch; Luis Echegoyen","[2 + 2] Cycloaddition Reaction to Sc3N@Ih-C80. The Formation of Very Stable [5,6]- and [6,6]-Adducts","Journal of the American Chemical Society","2011","133","","1563","1571","10.1021/ja1097176","","","0.7749","syncrotron","","0.057","0.0555","","","0.1502","0.1523","","","","","","1.066","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105602","10.24","0.003","6.0262","0.0016","15.832","0.005","90","0","95.866","0.004","90","0","971.8","0.5","93.15","","93.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N'-4,4'-bipiperidinebis(methylenephosphonic acid)","4,4'-bipiperidine-1,1'-diylbis(methylene)diphosphonic acid","","- C12 H26 N2 O10 P2 -","- C12 H26 N2 O10 P2 -","- C24 H52 N4 O20 P4 -","2","0.5","","Michael T. Wharmby; John P. S. Mowat; Stephen P. Thompson; Paul A. Wright","Extending the Pore Size of Crystalline Metal Phosphonates toward the Mesoporous Regime by Isoreticular Synthesis","Journal of the American Chemical Society","2011","133","","1266","1269","10.1021/ja1097995","","","0.7107","MoKα","","0.0553","0.0511","","","0.1527","0.156","","","","","","1.139","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105603","41.28697","0.00024","41.28697","","6.26296","0.00007","90","","90","","120","","9245.63","0.12","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 Co N O7.73 P -","- C6 Co N O7.72952 P -","- C108 Co18 N18 O139.131 P18 -","18","1","","Michael T. Wharmby; John P. S. Mowat; Stephen P. Thompson; Paul A. Wright","Extending the Pore Size of Crystalline Metal Phosphonates toward the Mesoporous Regime by Isoreticular Synthesis","Journal of the American Chemical Society","2011","133","","1266","1269","10.1021/ja1097995","powder diffraction","x-ray","0.825028","synchrotron","","","","","","","","0.05318","","6.72","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105604","12.73727","0.00014","12.73727","0.00014","25.1972","0.0004","90","","90","","90","","4087.94","0.09","110","2","110","2","","","","","","","","6","P 41","P 4w","76","","","","- C40 H50 Cl3 Fe N3 S -","- C40 H50 Cl3 Fe N3 S -","- C160 H200 Cl12 Fe4 N12 S4 -","4","1","","Yosra M. Badiei; Maxime A. Siegler; David P. Goldberg","O2 Activation by Bis(imino)pyridine Iron(II)-Thiolate Complexes","Journal of the American Chemical Society","2011","133","","1274","1277","10.1021/ja109923a","","","0.71073","MoKα","","0.0463","0.0382","","","0.0908","0.0929","","","","","","1.016","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105605","12.736","0.0002","18.304","0.0003","17.2827","0.0003","90","","99.0194","0.0017","90","","3979.12","0.12","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39.59 H47.59 F3.25 Fe N3 O3.25 S2 -","- C39.5845 H47.5845 F3.2493 Fe N3 O3.2493 S2 -","- C158.338 H190.338 F12.9972 Fe4 N12 O12.9972 S8 -","4","1","","Yosra M. Badiei; Maxime A. Siegler; David P. Goldberg","O2 Activation by Bis(imino)pyridine Iron(II)-Thiolate Complexes","Journal of the American Chemical Society","2011","133","","1274","1277","10.1021/ja109923a","","","0.71073","MoKα","","0.0686","0.0417","","","0.0925","0.0981","","","","","","0.988","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105606","16.9302","0.0004","11.4976","0.0002","24.1945","0.0007","90","","90","","90","","4709.62","0.19","110","2","110","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C38 H52 Cl2 F6 Fe N4 O8 S2 -","- C38 H52 Cl2 F6 Fe N4 O8 S2 -","- C152 H208 Cl8 F24 Fe4 N16 O32 S8 -","4","1","","Yosra M. Badiei; Maxime A. Siegler; David P. Goldberg","O2 Activation by Bis(imino)pyridine Iron(II)-Thiolate Complexes","Journal of the American Chemical Society","2011","133","","1274","1277","10.1021/ja109923a","","","0.71073","MoKα","","0.0577","0.0381","","","0.0721","0.0759","","","","","","0.948","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105607","8.8538","0.0011","10.9367","0.0014","16.39","0.002","90","","101.059","0.003","90","","1557.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Jason C. Green; Thomas R. R. Pettus","An Oxidative Dearomatization-Induced [5 + 2] Cascade Enabling the Syntheses of α-Cedrene, α-Pipitzol, and sec-Cedrenol","Journal of the American Chemical Society","2011","133","","1603","1608","10.1021/ja109925g","","","0.71073","MoKα","","0.0979","0.066","","","0.1443","0.1557","","","","","","1.422","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105608","11.6445","0.0004","12.6184","0.0004","12.7872","0.0004","90","","97.897","0.002","90","","1861.07","0.11","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H50 Cl2 F6 N4 P Rh -","- C33 H50 Cl2 F6 N4 P Rh -","- C66 H100 Cl4 F12 N8 P2 Rh2 -","2","1","","Peter Gigler; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Hydrosilylation with Biscarbene Rh(I) Complexes: Experimental Evidence for a Silylene-Based Mechanism","Journal of the American Chemical Society","2011","133","","1589","1596","10.1021/ja110017c","","","0.71073","MoKα","","0.0336","0.0295","","","0.0691","0.0731","","","","","","1.092","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105609","12.291","0.002","13.669","0.003","14.416","0.003","90.076","0.004","92.249","0.003","90.223","0.003","2420.1","0.8","153","","153","","","","","","","","","5","P 1","P 1","1","","","","- C46 H40 Cl10 N4 O -","- C46 H40 Cl10 N4 O -","- C92 H80 Cl20 N8 O2 -","2","2","","Kohsuke Ohmatsu; Mari Kiyokawa; Takashi Ooi","Chiral 1,2,3-Triazoliums as New Cationic Organic Catalysts with Anion-Recognition Ability: Application to Asymmetric Alkylation of Oxindoles","Journal of the American Chemical Society","2011","133","","1307","1309","10.1021/ja1102844","","","0.71073","MoKα","","0.0403","0.038","","","0.0976","0.0999","","","","","","1.021","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105610","13.766","0.004","15.624","0.004","25.915","0.008","90","","103.647","0.007","90","","5416","3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H79 N4 O4 Pd -","- C57 H79 N4 O4 Pd -","- C228 H316 N16 O16 Pd4 -","4","1","","Xiaochen Cai; Subhojit Majumdar; George C. Fortman; Catherine S. J. Cazin; Alexandra M. Z. Slawin; Charles Lhermitte; Rajeev Prabhakar; Meaghan E. Germain; Taryn Palluccio; Steven P. Nolan; Elena V. Rybak-Akimova; Manuel Temprado; Burjor Captain; Carl D. Hoff","Oxygen Binding to [Pd(L)(L')] (L= NHC, L' = NHC or PR3, NHC = N-Heterocyclic Carbene). Synthesis and Structure of a Paramagnetic trans-[Pd(NHC)2(η1-O2)2] Complex","Journal of the American Chemical Society","2011","133","","1290","1293","10.1021/ja1103348","","","0.71073","MoKα","","0.163","0.1261","","","0.2906","0.3092","","","","","","1.138","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105611","12.2884","0.0005","12.334","0.0005","17.2479","0.0007","82.982","0.001","87.966","0.001","89.015","0.001","2592.74","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H78 N4 O4 Pd -","- C54 H78 N4 O4 Pd -","- C108 H156 N8 O8 Pd2 -","2","1","","Xiaochen Cai; Subhojit Majumdar; George C. Fortman; Catherine S. J. Cazin; Alexandra M. Z. Slawin; Charles Lhermitte; Rajeev Prabhakar; Meaghan E. Germain; Taryn Palluccio; Steven P. Nolan; Elena V. Rybak-Akimova; Manuel Temprado; Burjor Captain; Carl D. Hoff","Oxygen Binding to [Pd(L)(L')] (L= NHC, L' = NHC or PR3, NHC = N-Heterocyclic Carbene). Synthesis and Structure of a Paramagnetic trans-[Pd(NHC)2(η1-O2)2] Complex","Journal of the American Chemical Society","2011","133","","1290","1293","10.1021/ja1103348","","","0.71073","MoKα","","0.0527","0.0375","","","0.0848","0.0932","","","","","","1.021","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105612","16.2579","0.0008","17.1922","0.0007","21.1975","0.001","90","","103.262","0.003","90","","5766.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H57 Al2 B F20 Si2 Zr -","- C54 H57 Al2 B F20 Si2 Zr -","- C216 H228 Al8 B4 F80 Si8 Zr4 -","4","1","","Steven M. Baldwin; John E. Bercaw; Lawrence M. Henling; Michael W. Day; Hans H. Brintzinger","Cationic Alkylaluminum-Complexed Zirconocene Hydrides: NMR-Spectroscopic Identification, Crystallographic Structure Determination, and Interconversion with Other Zirconocene Cations","Journal of the American Chemical Society","2011","133","","1805","1813","10.1021/ja1050428","","","0.71073","MoKα","","0.0795","0.0422","","","0.0681","0.0719","","","","","","1.883","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105613","17.3916","0.0007","26.6355","0.0012","27.3497","0.0012","90","","90","","90","","12669.3","0.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63.5 H61 Al2 B F20 Si Zr -","- C63.5 H61 Al2 B F20 Si Zr -","- C508 H488 Al16 B8 F160 Si8 Zr8 -","8","2","","Steven M. Baldwin; John E. Bercaw; Lawrence M. Henling; Michael W. Day; Hans H. Brintzinger","Cationic Alkylaluminum-Complexed Zirconocene Hydrides: NMR-Spectroscopic Identification, Crystallographic Structure Determination, and Interconversion with Other Zirconocene Cations","Journal of the American Chemical Society","2011","133","","1805","1813","10.1021/ja1050428","","","0.71073","MoKα","","0.1201","0.0623","","","0.0749","0.0779","","","","","","1.804","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105614","7.6703","0.0006","18.5451","0.0011","13.1767","0.0008","90","","91.644","0.004","90","","1873.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1'-Dimethyl-3,3'-Methylene-4-Diimidazolin-2,2'-Diylidene-Palladium(IV) Tetrachloride","","- C21 H30 Cl14 N8 Pd2 -","- C21 H30 Cl14 N8 Pd2 -","- C42 H60 Cl28 N16 Pd4 -","2","0.5","","A. Scott McCall; Hongwang Wang; John M. Desper; Stefan Kraft","Bis-N-heterocyclic Carbene Palladium(IV) Tetrachloride Complexes: Synthesis, Reactivity, and Mechanisms of Direct Chlorinations and Oxidations of Organic Substrates","Journal of the American Chemical Society","2011","133","","1832","1848","10.1021/ja107342b","","","0.71073","MoKα","","0.071","0.0465","","","0.107","0.1172","","","","","","1.056","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105615","18.7387","0.0002","21.4365","0.0003","25.4175","0.0003","90","","90","","90","","10210","0.2","153","2","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 N4 O40 Si V2 W10 -","- C64 N4 O40 Si V2 W10 -","- C256 N16 O160 Si4 V8 W40 -","4","1","","Kazuhiro Uehara; Noritaka Mizuno","Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates","Journal of the American Chemical Society","2011","133","","1622","1625","10.1021/ja108245g","","x-ray","0.71069","MoKα","","","0.0449","","","","0.1491","","","","","","1.087","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105616","35.6567","0.0001","35.6567","0.0001","16.9867","0.0001","90","","90","","90","","21596.9","0.15","153","2","153","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C68 Cl4 N4 O39 Si V2 W10 -","- C68 Cl4 N4 O39 Si V2 W10 -","- C544 Cl32 N32 O312 Si8 V16 W80 -","8","1","","Kazuhiro Uehara; Noritaka Mizuno","Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates","Journal of the American Chemical Society","2011","133","","1622","1625","10.1021/ja108245g","","x-ray","0.71069","MoKα","","","0.052","","","","0.1366","","","","","","1.088","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105617","35.6802","0.0004","35.6802","0.0004","16.9427","0.0002","90","","90","","90","","21569.4","0.4","153","2","153","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C68 Cl4 N4 O40 Si V2 W10 -","- C68 Cl4 N4 O40 Si V2 W10 -","- C544 Cl32 N32 O320 Si8 V16 W80 -","8","1","","Kazuhiro Uehara; Noritaka Mizuno","Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates","Journal of the American Chemical Society","2011","133","","1622","1625","10.1021/ja108245g","","x-ray","0.71069","MoKα","","","0.0609","","","","0.1683","","","","","","1.095","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105618","20.62","0.0017","20.3363","0.0016","25.951","0.002","90","","90","","90","","10882.1","1.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H66 Cl8 N12 O4 Pd2 -","- C46 H66 Cl8 N12 O4 Pd2 -","- C368 H528 Cl64 N96 O32 Pd16 -","8","1","","Gary Jing Chuang; Weike Wang; Eunsung Lee; Tobias Ritter","A Dinuclear Palladium Catalyst for α-Hydroxylation of Carbonyls with O2","Journal of the American Chemical Society","2011","133","","1760","1762","10.1021/ja108396k","","","0.71073","MoKα","","0.0295","0.0218","","","0.0496","0.0543","","","","","","1.051","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105619","9.8403","0.001","17.7022","0.0015","15.5474","0.0013","90","","95.805","0.003","90","","2694.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O2 S4 -","- C11 H13 N O2 S4 -","- C88 H104 N8 O16 S32 -","8","2","","John B. Biggins; Xiaofei Liu; Zhiyang Feng; Sean F. Brady","Metabolites from the Induced Expression of Cryptic Single Operons Found in the Genome of Burkholderia pseudomallei","Journal of the American Chemical Society","2011","133","","1638","1641","10.1021/ja1087369","","","0.71073","MoKα","","0.0726","0.0421","","","0.0901","0.1033","","","","","","1.038","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105620","10.6588","0.0008","20.2223","0.0014","7.4519","0.0006","90","","90.946","0.003","90","","1606","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","John B. Biggins; Xiaofei Liu; Zhiyang Feng; Sean F. Brady","Metabolites from the Induced Expression of Cryptic Single Operons Found in the Genome of Burkholderia pseudomallei","Journal of the American Chemical Society","2011","133","","1638","1641","10.1021/ja1087369","","","0.71073","MoKα","","0.0604","0.0374","","","0.0903","0.1043","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105621","18.1916","0.0015","8.3327","0.0007","20.9582","0.0017","90","","90","","90","","3177","0.5","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C160 H144 O24 -","8","1","","John B. Biggins; Xiaofei Liu; Zhiyang Feng; Sean F. Brady","Metabolites from the Induced Expression of Cryptic Single Operons Found in the Genome of Burkholderia pseudomallei","Journal of the American Chemical Society","2011","133","","1638","1641","10.1021/ja1087369","","","0.71073","MoKα","","0.0853","0.052","","","0.1281","0.1499","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105622","24.1624","0.0009","24.1624","0.0009","24.1624","0.0009","90","","90","","90","","14106.5","0.9","173","2","173","2","","","","","","","","8","F -4 3 m","F -4 2 3","216","","","","- C84 H84 Co12 F4 Fe6 N2 O55 P4 -","- C72 H48 Co12 F4 Fe6 O46 P4 -","- C288 H192 Co48 F16 Fe24 O184 P16 -","4","0.0416667","","Sayon A. Kumalah Robinson; Marion-Vincent L. Mempin; Amy J. Cairns; K. Travis Holman","A Cubic, 12-Connected, Microporous Metal-Organometallic Phosphate Framework Sustained by Truncated Tetrahedral Nodes","Journal of the American Chemical Society","2011","133","","1634","1637","10.1021/ja108894a","","","0.71073","MoKα","","0.0513","0.047","","","0.1339","0.136","","","","","","1.059","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105623","27.139","0.005","8.776","0.0018","23.632","0.005","90","","123.81","0.03","90","","4677","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H34 Cl N3 O -","- C25 H34 Cl N3 O -","- C200 H272 Cl8 N24 O8 -","8","2","","Dennis X. Hu; Michael D. Clift; Kiel E. Lazarski; Regan J. Thomson","Enantioselective Total Synthesis and Confirmation of the Absolute and Relative Stereochemistry of Streptorubin B","Journal of the American Chemical Society","2011","133","","1799","1804","10.1021/ja109165f","","","0.71073","MoKα","","0.0807","0.057","","","0.1345","0.1529","","","","","","1.029","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105624","11.7897","0.0012","14.5693","0.0014","19.106","0.002","90","","95.564","0.006","90","","3266.3","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34.38 H41.75 Cl2.75 N O6 -","- C34.375 H41.75 Cl2.75 N O6 -","- C137.5 H167 Cl11 N4 O24 -","4","2","","Micheal C. Wilson; Sang-Jip Nam; Tobias A. M. Gulder; Christopher A. Kauffman; Paul R. Jensen; William Fenical; Bradley S. Moore","Structure and Biosynthesis of the Marine Streptomycete Ansamycin Ansalactam A and Its Distinctive Branched Chain Polyketide Extender Unit","Journal of the American Chemical Society","2011","133","","1971","1977","10.1021/ja109226s","","","1.54178","CuKα","","0.0506","0.0488","","","0.1375","0.1394","","","","","","1.046","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105625","6.7044","0.0016","10.749","0.003","26.506","0.007","90","","90","","90","","1910.2","0.9","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl2 N O Pt -","- C17 H25 Cl2 N O Pt -","- C68 H100 Cl8 N4 O4 Pt4 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.0396","","","","0.1053","","","","","","1.029","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105626","17.233","0.007","7.822","0.003","7.535","0.003","90","","90","","90","","1015.7","0.7","123","","123","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.0602","","","","0.1609","","","","","","1.027","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105627","18.932","0.004","6.7865","0.0013","20.175","0.004","90","","114.731","0.0009","90","","2354.4","0.8","123.1","","123.1","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C24 H29 Cl2 N O2 Pt -","- C24 H29 Cl2 N O2 Pt -","- C96 H116 Cl8 N4 O8 Pt4 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.0495","","","","0.1314","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105628","6.025","0.002","9.345","0.004","32.971","0.013","90","","90","","90","","1856.4","1.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C84 H88 Br4 N4 O8 -","4","1","","Andrew DeAngelis; Valerie W. Shurtleff; Olga Dmitrenko; Joseph M. Fox","Rhodium(II)-Catalyzed Enantioselective C-H Functionalization of Indoles","Journal of the American Chemical Society","2011","133","","1650","1653","10.1021/ja1093309","","","0.71073","MoKα","","0.1163","0.0512","","","0.0677","0.0807","","","","","","1.021","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105629","5.5327","0.0003","7.7224","0.0004","5.4112","0.0003","90","","90","","90","","231.2","0.02","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","Calcium Technitium Oxide","","","- Ca O3 Tc -","- Ca O3 Tc -","- Ca4 O12 Tc4 -","4","0.5","","Maxim Avdeev; Gordon J. Thorogood; Melody L. Carter; Brendan J. Kennedy; Jimmy Ting; David J. Singh; Kia S. Wallwork","Antiferromagnetism in a Technetium Oxide. Structure of CaTcO3","Journal of the American Chemical Society","2011","133","","1654","1657","10.1021/ja109431t","powder diffraction","neutron","1.538","neutron","","","","","","","","","9.87","3.8","","","","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105630","11.288","0.002","14.489","0.003","20.884","0.004","90","","90","","90","","3415.6","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O4 S -","- C19 H21 N O4 S -","- C152 H168 N8 O32 S8 -","8","1","","Mu Lin; Feng Li; Lei Jiao; Zhi-Xiang Yu","Rh(I)-Catalyzed Formal [5 + 1]/[2 + 2 + 1] Cycloaddition of 1-Yne-vinylcyclopropanes and Two CO Units: One-Step Construction of Multifunctional Angular Tricyclic 5/5/6 Compounds","Journal of the American Chemical Society","2011","133","","1690","1693","10.1021/ja110039h","","","0.71073","MoKα","","0.0559","0.0517","","","0.1131","0.1157","","","","","","1.193","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105631","9.889","0.005","11.32","0.005","12.066","0.005","99.648","0.005","105.586","0.005","100.964","0.005","1242.7","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 O5 S2 -","- C27 H24 N2 O5 S2 -","- C54 H48 N4 O10 S4 -","2","1","","Kai Sun; Yan Li; Tao Xiong; Jingping Zhang; Qian Zhang","Palladium-Catalyzed C-H Aminations of Anilides with N-Fluorobenzenesulfonimide","Journal of the American Chemical Society","2011","133","","1694","1697","10.1021/ja1101695","","","0.71069","MoKα","","0.11","0.0748","","","0.1947","0.2208","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105632","10.0399","0.0006","10.9768","0.0005","13.4457","0.0006","109.146","0.004","92.134","0.004","110.32","0.005","1293.47","0.13","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C2.94 H3.29 N0.24 O0.71 S0.24 -","- C2.94118 H3.29412 N0.235294 O0.705882 S0.235294 -","- C50 H56 N4 O12 S4 -","17","8.5","","Kai Sun; Yan Li; Tao Xiong; Jingping Zhang; Qian Zhang","Palladium-Catalyzed C-H Aminations of Anilides with N-Fluorobenzenesulfonimide","Journal of the American Chemical Society","2011","133","","1694","1697","10.1021/ja1101695","","","","","","0.108","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105633","6.4325","0.0003","15.2429","0.0007","13.15","0.0004","90","","101.416","0.003","90","","1263.85","0.09","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 I N O2 -","- C13 H14 I N O2 -","- C52 H56 I4 N4 O8 -","4","1","","Stephen G. Newman; Mark Lautens","Palladium-Catalyzed Carboiodination of Alkenes: Carbon-Carbon Bond Formation with Retention of Reactive Functionality","Journal of the American Chemical Society","2011","133","","1778","1780","10.1021/ja110377q","","","0.71073","MoKα","","0.0682","0.0411","","","0.0947","0.1084","","","","","","1.052","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105634","13.5975","0.0002","21.6883","0.0003","15.1332","0.0003","90","","97.0785","0.0014","90","","4428.87","0.13","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H27 B Cu F20 N5 O -","- C47 H27 B Cu F20 N5 O -","- C188 H108 B4 Cu4 F80 N20 O4 -","4","1","","Ryan L. Peterson; Richard A. Himes; Hiroaki Kotani; Tomoyoshi Suenobu; Li Tian; Maxime A. Siegler; Edward I. Solomon; Shunichi Fukuzumi; Kenneth D. Karlin","Cupric Superoxo-Mediated Intermolecular C-H Activation Chemistry","Journal of the American Chemical Society","2011","133","","1702","1705","10.1021/ja110466q","","","0.71073","MoKα","","0.0572","0.0368","","","0.0917","0.0964","","","","","","0.985","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105635","11.3656","0.0008","13.4721","0.0009","7.4844","0.0005","90","","94.562","0.001","90","","1142.37","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Appaso Mahadev Jadhav; Sabyasachi Bhunia; Hsin-Yi Liao; Rai-Shung Liu","Gold-Catalyzed Stereoselective Synthesis of Azacyclic Compounds through a Redox/[2 + 2 + 1] Cycloaddition Cascade of Nitroalkyne Substrates","Journal of the American Chemical Society","2011","133","","1769","1771","10.1021/ja110514s","","","0.71073","MoKα","","0.0552","0.0462","","","0.1222","0.1275","","","","","","1.156","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105636","9.0389","0.0014","10.0864","0.0015","13.588","0.002","72.58","0.004","88.295","0.004","63.795","0.004","1052.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","1","","Appaso Mahadev Jadhav; Sabyasachi Bhunia; Hsin-Yi Liao; Rai-Shung Liu","Gold-Catalyzed Stereoselective Synthesis of Azacyclic Compounds through a Redox/[2 + 2 + 1] Cycloaddition Cascade of Nitroalkyne Substrates","Journal of the American Chemical Society","2011","133","","1769","1771","10.1021/ja110514s","","","0.71073","MoKα","","0.0474","0.0367","","","0.0909","0.0983","","","","","","1.018","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105637","25.205","0.008","25.205","0.008","5.987","0.003","90","","90","","120","","3294","2","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C17 H14.67 F N O3.33 -","- C17 H14 F N O3.33333 -","- C153 H126 F9 N9 O30 -","9","1","","Filippo Sladojevich; Andrea Trabocchi; Antonio Guarna; Darren J. Dixon","A New Family of Cinchona-Derived Amino Phosphine Precatalysts: Application to the Highly Enantio- and Diastereoselective Silver-Catalyzed Isocyanoacetate Aldol Reaction","Journal of the American Chemical Society","2011","133","","1710","1713","10.1021/ja110534g","","","0.71073","MoKα","","0.0625","0.0498","","","0.0937","0.0986","","","","","","1.072","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105638","10.2156","0.0003","6.7637","0.0002","11.1574","0.0003","90","","90.889","0.0014","90","","770.83","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O3 -","- C17 H16 Br N O3 -","- C34 H32 Br2 N2 O6 -","2","1","","Filippo Sladojevich; Andrea Trabocchi; Antonio Guarna; Darren J. Dixon","A New Family of Cinchona-Derived Amino Phosphine Precatalysts: Application to the Highly Enantio- and Diastereoselective Silver-Catalyzed Isocyanoacetate Aldol Reaction","Journal of the American Chemical Society","2011","133","","1710","1713","10.1021/ja110534g","","","0.71073","MoKα","","0.0322","0.0288","","0.0699","0.0654","0.0699","","","","","","0.9127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105639","8.3201","0.0004","15.3584","0.0007","20.827","0.0009","90","","90","","90","","2661.3","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Cl2 O4 -","- C31 H26 Cl2 O4 -","- C124 H104 Cl8 O16 -","4","1","","Xiaoyu Han; Youqing Wang; Fangrui Zhong; Yixin Lu","Enantioselective [3 + 2] Cycloaddition of Allenes to Acrylates Catalyzed by Dipeptide-Derived Phosphines: Facile Creation of Functionalized Cyclopentenes Containing Quaternary Stereogenic Centers","Journal of the American Chemical Society","2011","133","","1726","1729","10.1021/ja1106282","","","0.71073","MoKα","","0.1294","0.077","","","0.1388","0.1576","","","","","","1.031","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105640","7.8769","0.0003","8.1717","0.0003","11.1984","0.0005","70.325","0.001","84.844","0.001","78.875","0.001","665.74","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H12 O7 -","- C15 H12 O7 -","- C30 H24 O14 -","2","1","","Tian Qin; Richard P. Johnson; John A. Porco","Vinylogous Addition of Siloxyfurans to Benzopyryliums: A Concise Approach to the Tetrahydroxanthone Natural Products","Journal of the American Chemical Society","2011","133","","1714","1717","10.1021/ja110698n","","","1.54178","CuKα","","0.0313","0.0299","","","0.0827","0.084","","","","","","0.911","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105641","13.2285","0.0009","7.9453","0.0005","14.2764","0.0009","90","","104.118","0.003","90","","1455.19","0.16","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O7 -","- C16 H16 O7 -","- C64 H64 O28 -","4","1","","Tian Qin; Richard P. Johnson; John A. Porco","Vinylogous Addition of Siloxyfurans to Benzopyryliums: A Concise Approach to the Tetrahydroxanthone Natural Products","Journal of the American Chemical Society","2011","133","","1714","1717","10.1021/ja110698n","","","0.71073","MoKα","","0.0542","0.043","","","0.1163","0.1249","","","","","","1.053","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105642","8.8482","0.0003","7.7305","0.0002","21.7938","0.0006","90","","98.759","0.001","90","","1473.33","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O7 -","- C16 H16 O7 -","- C64 H64 O28 -","4","1","","Tian Qin; Richard P. Johnson; John A. Porco","Vinylogous Addition of Siloxyfurans to Benzopyryliums: A Concise Approach to the Tetrahydroxanthone Natural Products","Journal of the American Chemical Society","2011","133","","1714","1717","10.1021/ja110698n","","","1.54178","CuKα","","0.0359","0.032","","","0.0948","0.1085","","","","","","1.077","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105643","19.816","0.003","8.6","0.0013","32.975","0.005","90","","94.488","0.003","90","","5602.3","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H56 Cl2 N6 O12 S2 -","- C58 H56 Cl2 N6 O12 S2 -","- C232 H224 Cl8 N24 O48 S8 -","4","0.5","","Yifei Li; Xianxiu Xu; Jing Tan; Chunyu Xia; Dawei Zhang; Qun Liu","Double Isocyanide Cyclization: A Synthetic Strategy for Two-Carbon-Tethered Pyrrole/Oxazole Pairs","Journal of the American Chemical Society","2011","133","","1775","1777","10.1021/ja110864t","","","0.71069","MoKα","","0.1252","0.0656","","","0.1462","0.1747","","","","","","1.012","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105644","19.425","0.004","19.425","0.004","33.628","0.004","90","","90","","120","","10989","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H90 N6 O12 S6 -","- C72 H90 N6 O12 S6 -","- C432 H540 N36 O72 S36 -","6","0.333333","","Yifei Li; Xianxiu Xu; Jing Tan; Chunyu Xia; Dawei Zhang; Qun Liu","Double Isocyanide Cyclization: A Synthetic Strategy for Two-Carbon-Tethered Pyrrole/Oxazole Pairs","Journal of the American Chemical Society","2011","133","","1775","1777","10.1021/ja110864t","","","0.71069","MoKα","","0.1482","0.0547","","","0.106","0.1349","","","","","","0.935","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105645","15.026","0.0016","11.9842","0.0013","15.5208","0.0016","90","","111.297","0.002","90","","2604","0.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N2 O5 S2 -","- C27 H28 N2 O5 S2 -","- C108 H112 N8 O20 S8 -","4","1","","Yifei Li; Xianxiu Xu; Jing Tan; Chunyu Xia; Dawei Zhang; Qun Liu","Double Isocyanide Cyclization: A Synthetic Strategy for Two-Carbon-Tethered Pyrrole/Oxazole Pairs","Journal of the American Chemical Society","2011","133","","1775","1777","10.1021/ja110864t","","","0.71073","MoKα","","0.0548","0.0411","","","0.1022","0.1096","","","","","","1.014","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105646","10.258","0.0017","10.876","0.0018","12.051","0.002","112.395","0.002","97.263","0.002","111.677","0.002","1097.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O4 -","- C27 H22 N2 O4 -","- C54 H44 N4 O8 -","2","1","","Fushun Liang; Shaoxia Lin; Ying Wei","Aza-Oxy-Carbanion Relay via Non-Brook Rearrangement: Efficient Synthesis of Furo[3,2-c]pyridinones","Journal of the American Chemical Society","2011","133","","1781","1783","10.1021/ja110870f","","","0.71069","MoKα","","0.1246","0.0553","","","0.125","0.1532","","","","","","1.003","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105647","13.619","0.002","11.3289","0.0016","15.146","0.003","90","","101.77","0.015","90","","2287.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 N O2 -","- C29 H25 N O2 -","- C116 H100 N4 O8 -","4","1","","Fushun Liang; Shaoxia Lin; Ying Wei","Aza-Oxy-Carbanion Relay via Non-Brook Rearrangement: Efficient Synthesis of Furo[3,2-c]pyridinones","Journal of the American Chemical Society","2011","133","","1781","1783","10.1021/ja110870f","","","0.71073","MoKα","","0.1826","0.0374","","","0.0389","0.0467","","","","","","0.591","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105648","5.5373","0.0001","7.7118","0.0002","5.4004","0.0001","90","","90","","90","","230.611","0.008","4","","4","","","","","","","","","3","P n m a","-P 2ac 2n","62","Calcium Technitium Oxide","","","- Ca O3 Tc -","- Ca O3 Tc -","- Ca4 O12 Tc4 -","4","0.5","","Maxim Avdeev; Gordon J. Thorogood; Melody L. Carter; Brendan J. Kennedy; Jimmy Ting; David J. Singh; Kia S. Wallwork","Antiferromagnetism in a Technetium Oxide. Structure of CaTcO3","Journal of the American Chemical Society","2011","133","","1654","1657","10.1021/ja109431t","powder diffraction","neutron","1.885","neutron","","","","","","","","","12.48","4.8","","","","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105649","53.188","0.003","53.188","0.003","17.813","0.002","90","","90","","120","","43641","6","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C38 H40 N2 O16 Zn2 -","- C28 H16 N2 O13 Zn2 -","- C1008 H576 N72 O468 Zn72 -","36","1","","Sebastian Henke; Roland A. Fischer","Gated Channels in a Honeycomb-like Zinc-Dicarboxylate-Bipyridine Framework with Flexible Alkyl Ether Side Chains","Journal of the American Chemical Society","2011","133","","2064","2067","10.1021/ja109317e","","","1.54178","CuKα","","0.1145","0.0903","","","0.2642","0.2778","","","","","","0.987","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105650","14.0138","0.0002","10.9075","0.0002","21.7501","0.0004","90","","91.524","0.002","90","","3323.45","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N2 O12 Zn2 -","- C26 H10 N2 O9 Zn2 -","- C104 H40 N8 O36 Zn8 -","4","1","","Sebastian Henke; Roland A. Fischer","Gated Channels in a Honeycomb-like Zinc-Dicarboxylate-Bipyridine Framework with Flexible Alkyl Ether Side Chains","Journal of the American Chemical Society","2011","133","","2064","2067","10.1021/ja109317e","","","0.71073","MoKα","","0.0708","0.0456","","","0.1331","0.1394","","","","","","1.012","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105651","10.7453","0.0009","13.0951","0.001","16.1287","0.0014","86.901","0.002","82.155","0.002","67.312","0.003","2074.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.25 H62 B N2 O2 Os P2 -","- C41.25 H62 B N2 O2 Os P2 -","- C82.5 H124 B2 N4 O4 Os2 P4 -","2","1","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.71073","MoKα","","0.0404","0.0346","","","0.0862","0.0899","","","","","","1.033","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105652","10.1135","0.0011","17.243","0.002","19.003","0.002","80.393","0.002","88.068","0.002","89.455","0.002","3265.5","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C31 H53 B N2 O Os P2 -","- C31 H53 B N2 O Os P2 -","- C124 H212 B4 N8 O4 Os4 P8 -","4","4","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.71073","MoKα","","0.0946","0.058","","","0.1096","0.13","","","","","","0.938","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105653","10.2107","0.0015","23.871","0.003","29.595","0.005","100.687","0.004","90.333","0.003","101.922","0.005","6928.2","1.8","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C33 H57 B N2 O Os P2 -","- C33 H57 B N2 O Os P2 -","- C264 H456 B8 N16 O8 Os8 P16 -","8","8","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.71073","MoKα","","0.0667","0.0535","","","0.1191","0.1281","","","","","","1.013","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105654","11.1936","0.0016","11.8609","0.0017","16.576","0.002","106.953","0.003","97.875","0.003","97.96","0.003","2047.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H63 B N2 O Os P2 -","- C41 H63 B N2 O Os P2 -","- C82 H126 B2 N4 O2 Os2 P4 -","2","1","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.71073","MoKα","","0.0661","0.0488","","","0.0881","0.0955","","","","","","1.043","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105655","10.5199","0.0001","14.3046","0.0004","15.6759","0.0004","107.045","0.002","104.592","0.0019","104.807","0.002","2039.57","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H63 B N2 O2 Os P2 -","- C42 H63 B N2 O2 Os P2 -","- C84 H126 B2 N4 O4 Os2 P4 -","2","1","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.7107","MoKα","","0.042","0.0277","","","0.0475","0.0491","","","","","","0.908","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105656","8.903","0.002","10.455","0.003","10.571","0.003","90","","92.511","0.004","90","","983","0.5","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 I2 O3 -","- C18 H24 I2 O3 -","- C36 H48 I4 O6 -","2","1","","Xuebin Liao; Levi M. Stanley; John F. Hartwig","Enantioselective Total Syntheses of (-)-Taiwaniaquinone H and (-)-Taiwaniaquinol B by Iridium-Catalyzed Borylation and Palladium-Catalyzed Asymmetric α-Arylation","Journal of the American Chemical Society","2011","133","","2088","2091","10.1021/ja110215b","","","0.71073","MoKα","","0.0309","0.0252","","","0.0583","0.06","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105657","12.7079","0.0004","10.4589","0.0004","33.0698","0.0012","90","","94.433","0.001","90","","4382.2","0.3","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 B Cl3 F4 N2 P2 Pd -","- C45 H38 B Cl3 F4 N2 P2 Pd -","- C180 H152 B4 Cl12 F16 N8 P8 Pd4 -","4","1","","Tim Kösterke; Tania Pape; F. Ekkehardt Hahn","Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole","Journal of the American Chemical Society","2011","133","","2112","2115","10.1021/ja110634h","","","0.71073","MoKα","","0.0672","0.0487","","","0.1272","0.1398","","","","","","1.009","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105658","12.7733","0.0006","10.5578","0.0005","33.0376","0.0015","90","","94.442","0.001","90","","4442","0.4","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H39 B Cl2 F4 N2 P2 Pt -","- C44.5 H38 B Cl2 F4 N2 P2 Pt -","- C178 H152 B4 Cl8 F16 N8 P8 Pt4 -","4","1","","Tim Kösterke; Tania Pape; F. Ekkehardt Hahn","Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole","Journal of the American Chemical Society","2011","133","","2112","2115","10.1021/ja110634h","","","0.71073","MoKα","","0.0638","0.0445","","","0.1243","0.135","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105659","10.4079","0.0003","12.9817","0.0004","16.6774","0.0005","102.085","0.001","104.508","0.001","106.14","0.001","1998.96","0.11","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H38 B Cl F4 N2 P2 Pt -","- C44 H38 B Cl F4 N2 P2 Pt -","- C88 H76 B2 Cl2 F8 N4 P4 Pt2 -","2","1","","Tim Kösterke; Tania Pape; F. Ekkehardt Hahn","Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole","Journal of the American Chemical Society","2011","133","","2112","2115","10.1021/ja110634h","","","0.71073","MoKα","","0.0268","0.0244","","","0.0619","0.0629","","","","","","1.057","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105660","20.6422","0.0007","12.4704","0.0004","24.1515","0.0008","90","","106.313","0.001","90","","5966.7","0.3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 Cl2 N6 O1.5 P2 Pt2 -","- C64 H54 Cl2 N6 O1.5 P2 Pt2 -","- C256 H216 Cl8 N24 O6 P8 Pt8 -","4","1","","Tim Kösterke; Tania Pape; F. Ekkehardt Hahn","Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole","Journal of the American Chemical Society","2011","133","","2112","2115","10.1021/ja110634h","","","0.71073","MoKα","","0.0544","0.0348","","","0.0867","0.0974","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105661","12.8792","0.0013","13.1696","0.0013","16.6164","0.0016","86.739","0.002","88.301","0.002","74.946","0.002","2716.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34.19 H32.47 N3 O0.547 -","- C34.192 H32.48 N3 O0.548 -","- C136.768 H129.92 N12 O2.192 -","4","2","","Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel","Redox-Neutral Indole Annulation Cascades","Journal of the American Chemical Society","2011","133","","2100","2103","10.1021/ja110713k","","","0.71073","MoKα","","0.0727","0.0505","","","0.1216","0.1312","","","","","","1.024","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105662","7.9263","0.0009","9.9913","0.0011","13.9349","0.0015","100.827","0.002","99.715","0.002","112.307","0.002","967.18","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25.5 H23 Cl N2 -","- C25.5 H23 Cl N2 -","- C51 H46 Cl2 N4 -","2","1","","Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel","Redox-Neutral Indole Annulation Cascades","Journal of the American Chemical Society","2011","133","","2100","2103","10.1021/ja110713k","","","0.71073","MoKα","","0.0594","0.0522","","","0.1331","0.138","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105663","10.6479","0.0011","10.6812","0.0011","20.973","0.002","90","","99.118","0.002","90","","2355.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 N2 O -","- C29 H32 N2 O -","- C116 H128 N8 O4 -","4","1","","Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel","Redox-Neutral Indole Annulation Cascades","Journal of the American Chemical Society","2011","133","","2100","2103","10.1021/ja110713k","","","0.71073","MoKα","","0.0724","0.0593","","","0.1478","0.1568","","","","","","1.007","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105664","13.0601","0.0009","19.0376","0.0013","8.2253","0.0005","90","","90","","90","","2045.1","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H25 N3 -","- C28 H25 N3 -","- C112 H100 N12 -","4","1","","Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel","Redox-Neutral Indole Annulation Cascades","Journal of the American Chemical Society","2011","133","","2100","2103","10.1021/ja110713k","","","0.71073","MoKα","","0.0461","0.0441","","","0.1072","0.1087","","","","","","1.046","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105665","10.91","0.007","11.252","0.007","16.024","0.01","90","","93.368","0.01","90","","1964","2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","(THF)V(tpaMes)","","","- C46 H53 N4 O V -","- C46 H53 N4 O V -","- C92 H106 N8 O2 V2 -","2","1","","Nicholas A. Piro; Michael F. Lichterman; W. Hill Harman; Christopher J. Chang","A Structurally Characterized Nitrous Oxide Complex of Vanadium","Journal of the American Chemical Society","2011","133","","2108","2111","10.1021/ja110798w","","","0.71073","MoKα","","0.0518","0.0378","","","0.0789","0.0851","","","","","","1.034","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105666","10.4388","0.0007","10.4441","0.0007","19.1656","0.0014","83.921","0.004","79.928","0.004","62.462","0.003","1823.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(tpaMes)V(N2O)","","","- C42 H45 N6 O V -","- C42 H45 N6 O V -","- C84 H90 N12 O2 V2 -","2","1","","Nicholas A. Piro; Michael F. Lichterman; W. Hill Harman; Christopher J. Chang","A Structurally Characterized Nitrous Oxide Complex of Vanadium","Journal of the American Chemical Society","2011","133","","2108","2111","10.1021/ja110798w","","","0.71073","MoKα","","0.0627","0.0473","","","0.129","0.1378","","","","","","1.085","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105667","27.8","0.3","26.2","0.3","21.3","0.2","90","","123.69","0.17","90","","12908","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61.5 H78 Cl10 N4 O11.5 P -","- C61.5 H78 Cl10 N4 O11.5 P -","- C492 H624 Cl80 N32 O92 P8 -","8","1","","Pascal Dimitrov Raytchev; Alexandre Martinez; Heinz Gornitzka; Jean-Pierre Dutasta","Encaging the Verkade's Superbases: Thermodynamic and Kinetic Consequences","Journal of the American Chemical Society","2011","133","","2157","2159","10.1021/ja1110333","","","0.71073","MoKα","","0.315","0.1305","","","0.3094","0.4145","","","","","","1.035","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4105668","9.1929","0.0005","9.2239","0.0004","17.1717","0.0009","96.05","0.003","104.776","0.003","101.491","0.003","1360.82","0.12","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H40 B F4 N P Rh -","- C28 H40 B F4 N P Rh -","- C56 H80 B2 F8 N2 P2 Rh2 -","2","1","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.0504","0.0346","","","0.0684","0.074","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105669","12.0879","0.0005","11.8478","0.0005","45.928","0.002","90","","98.067","0.002","90","","6512.5","0.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H87 B2 F8 N7 P2 Rh2 -","- C62 H87 B2 F8 N7 P2 Rh2 -","- C248 H348 B8 F32 N28 P8 Rh8 -","4","1","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.0535","0.0391","","","0.0811","0.0867","","","","","","1.079","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105670","9.3718","0.0012","15.838","0.002","14.0215","0.0018","90","","98.362","0.009","90","","2059.1","0.5","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H55 F6 N2 P Rh Sb -","- C43 H55 F6 N2 P Rh Sb -","- C86 H110 F12 N4 P2 Rh2 Sb2 -","2","1","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.1094","0.0573","","","0.0911","0.1061","","","","","","0.993","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105671","12.1655","0.0006","14.1694","0.0007","19.677","0.0011","90","","92.195","0.003","90","","3389.4","0.3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 B F4 N3 O P Rh -","- C32 H52 B F4 N3 O P Rh -","- C128 H208 B4 F16 N12 O4 P4 Rh4 -","4","1","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.056","0.036","","","0.0769","0.0856","","","","","","1.019","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105672","15.243","0.003","16.582","0.004","19.241","0.004","90","","90","","90","","4863.3","1.8","193","","193","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C52 H72 Cl2 N2 P2 Rh2 -","- C52 H72 Cl2 N2 P2 Rh2 -","- C208 H288 Cl8 N8 P8 Rh8 -","4","0.5","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.0616","0.0357","","","0.0824","0.0911","","","","","","1.02","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105673","20.1775","0.0006","20.1775","0.0006","21.9148","0.0007","90","","90","","120","","7726.9","0.4","149","2","150","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C81.5 H219.5 Ge14 Li3 O7 Si25 -","- C81.48 H219.57 Ge14 Li3 O6.99 Si25 -","- C162.96 H439.14 Ge28 Li6 O13.98 Si50 -","2","0.166667","","Christian Schenk; Andreas Kracke; Karin Fink; Adam Kubas; Wim Klopper; Marco Neumaier; Hansgeorg Schnöckel; Andreas Schnepf","The Formal Combination of Three Singlet Biradicaloid Entities to a Singlet Hexaradicaloid Metalloid Ge14[Si(SiMe3)3]5[Li(THF)2]3 Cluster","Journal of the American Chemical Society","2011","133","","2518","2524","10.1021/ja107446z","","","0.8","synchrotron","","0.0471","0.0427","","","0.0953","0.0975","","","","","","1.154","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105674","11.57","0.0006","17.0742","0.0008","17.153","0.0009","90","","104.13","0.001","90","","3286","0.3","125","2","125","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C23 H52 F3 N Ni O3 P2 S Si2 -","- C23 H52 F3 N Ni O3 P2 S Si2 -","- C92 H208 F12 N4 Ni4 O12 P8 S4 Si8 -","4","1","","Benjamin C. Fullmer; Hongjun Fan; Maren Pink; John C. Huffman; Nikolay P. Tsvetkov; Kenneth G. Caulton","Three-Coordinate NiII: Tracing the Origin of an Unusual, Facile Si-C(sp3) Bond Cleavage in [(tBu2PCH2SiMe2)2N]Ni+","Journal of the American Chemical Society","2011","133","","2571","2582","10.1021/ja108426f","","","0.71073","MoKα","","0.0297","0.023","","","0.0551","0.057","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105675","16.1099","0.0017","11.1663","0.0012","16.6537","0.0017","90","","109.302","0.002","90","","2827.4","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 B F4 N Ni P2 Si -","- C20 H48 B F4 N Ni P2 Si -","- C80 H192 B4 F16 N4 Ni4 P8 Si4 -","4","1","","Benjamin C. Fullmer; Hongjun Fan; Maren Pink; John C. Huffman; Nikolay P. Tsvetkov; Kenneth G. Caulton","Three-Coordinate NiII: Tracing the Origin of an Unusual, Facile Si-C(sp3) Bond Cleavage in [(tBu2PCH2SiMe2)2N]Ni+","Journal of the American Chemical Society","2011","133","","2571","2582","10.1021/ja108426f","","","0.71073","MoKα","","0.1183","0.0703","","","0.1766","0.1964","","","","","","1.056","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4105676","21.071","0.004","18.061","0.003","10.7728","0.0014","90","","90","","90","","4099.7","1.2","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H22 O6 -","- C26 H22 O6 -","- C208 H176 O48 -","8","1","","Pablo Wessig; Annika Matthes","Preparation of Strained Axially Chiral (1,5)Naphthalenophanes by Photo-dehydro-Diels-Alder Reaction","Journal of the American Chemical Society","2011","133","","2642","2650","10.1021/ja109118m","","","0.71073","MoKα","","0.0339","0.0288","","","0.0757","0.0775","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105677","13.2149","0.0015","20.0393","0.0015","24.432","0.003","90","","95.696","0.002","90","","6438.1","1.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H15 F30 N Sc3 -","- C102 H15 F30 N Sc3 -","- C408 H60 F120 N4 Sc12 -","4","1","","Natalia B. Shustova; Dmitry V. Peryshkov; Igor V. Kuvychko; Yu-Sheng Chen; Mary A. Mackey; Curtis E. Coumbe; David T. Heaps; Bridget S. Confait; Thomas Heine; J. Paige Phillips; Steven Stevenson; Lothar Dunsch; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Poly(perfluoroalkylation) of Metallic Nitride Fullerenes Reveals Addition-Pattern Guidelines: Synthesis and Characterization of a Family of Sc3N@C80(CF3)n (n = 2-16) and Their Radical Anions","Journal of the American Chemical Society","2011","133","","2672","2690","10.1021/ja109462j","","","0.41328","synchrotron","","0.1098","0.0674","","","0.1474","0.1648","","","","","","1.103","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105678","13.2899","0.0014","38.424","0.005","13.5862","0.0016","90","","115.789","0.003","90","","6246.8","1.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C93 F36 N S2 Sc3 -","- C93 F36 N S2 Sc3 -","- C372 F144 N4 S8 Sc12 -","4","1","","Natalia B. Shustova; Dmitry V. Peryshkov; Igor V. Kuvychko; Yu-Sheng Chen; Mary A. Mackey; Curtis E. Coumbe; David T. Heaps; Bridget S. Confait; Thomas Heine; J. Paige Phillips; Steven Stevenson; Lothar Dunsch; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Poly(perfluoroalkylation) of Metallic Nitride Fullerenes Reveals Addition-Pattern Guidelines: Synthesis and Characterization of a Family of Sc3N@C80(CF3)n (n = 2-16) and Their Radical Anions","Journal of the American Chemical Society","2011","133","","2672","2690","10.1021/ja109462j","","","0.41328","synchrotron","","0.1138","0.0511","","","0.099","0.1188","","","","","","1.008","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105679","4.0711","0.0001","4.0711","0.0001","18.9094","0.0006","90","","90","","90","","313.402","0.015","293","2","293","2","","","","","","","synthesis as described","5","I 4/m m m","-I 4 2","139","Compound X","","","- Ba4 Co2 Cu3.89 O4 S4 -","- Ba4 Co2 Cu3.888 O4 S4 -","- Ba4 Co2 Cu3.888 O4 S4 -","1","0.03125","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","","x-ray","0.71073","MoKα","","0.0178","0.0168","","","0.0382","0.0385","","","","","","1.163","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105680","5.6337","0.00026","5.6337","0.00026","17.6466","0.0004","90","","90","","90","","560.08","0.04","","","","","","","","","","","","1","P 1","P 1","1","","","","- Co -","- Co -","- Co4 -","4","4","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105681","3.61538","0.00035","3.61538","","3.61538","","90","","90","","90","","47.257","0.005","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Cu -","- Cu -","- Cu4 -","4","0.0208333","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105682","4.649","0.005","3.4382","0.0034","5.187","0.006","90","","98.64","0.08","90","","81.97","0.15","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Cu O -","- Cu O -","- Cu4 O4 -","4","0.5","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105683","3.01596","0.00034","3.01596","","3.01596","","90","","90","","90","","27.433","0.003","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105684","5.6441","0.00026","5.6441","0.00026","17.7137","0.0004","90","","90","","90","","564.29","0.04","","","","","","","","","","","","1","P 1","P 1","1","","","","- Co -","- Co -","- Co4 -","4","4","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105685","4.6809","","3.4176","","5.122","","90","","99.784","","90","","80.747","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Cu O -","- Cu O -","- Cu4 O4 -","4","0.5","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105686","3.01691","0.00029","3.01691","","3.01691","","90","","90","","90","","27.459","0.003","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105687","9.998","0.008","6.545","0.006","13.109","0.01","90","","109.81","0.04","90","","807","1.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Cl O4 -","- C18 H15 Cl O4 -","- C36 H30 Cl2 O8 -","2","1","","Dorine Belmessieri; Louis C. Morrill; Carmen Simal; Alexandra M. Z. Slawin; Andrew D. Smith","Organocatalytic Functionalization of Carboxylic Acids: Isothiourea-Catalyzed Asymmetric Intra- and Intermolecular Michael Addition-Lactonizations","Journal of the American Chemical Society","2011","133","","2714","2720","10.1021/ja109975c","","","0.71073","MoKα","","0.1205","0.0948","","","0.2298","0.2609","","","","","","1.057","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105688","6.3142","0.0011","19.786","0.003","26.184","0.004","90","","90","","90","","3271.2","0.9","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C152 H120 Br8 O32 -","8","2","","Dorine Belmessieri; Louis C. Morrill; Carmen Simal; Alexandra M. Z. Slawin; Andrew D. Smith","Organocatalytic Functionalization of Carboxylic Acids: Isothiourea-Catalyzed Asymmetric Intra- and Intermolecular Michael Addition-Lactonizations","Journal of the American Chemical Society","2011","133","","2714","2720","10.1021/ja109975c","","","0.71073","MoKα","","0.0503","0.0377","","","0.0647","0.0696","","","","","","0.943","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105689","14.158","0.01","21.005","0.014","18.336","0.012","90","","90","","90","","5453","6","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C27.4 H26.8 Cl0.8 N4 O7 -","- C27.4 H26.8 Cl0.8 N4 O7 -","- C219.2 H214.4 Cl6.4 N32 O56 -","8","1","","Xue Gao; Yit-Heng Chooi; Brian D. Ames; Peng Wang; Christopher T. Walsh; Yi Tang","Fungal Indole Alkaloid Biosynthesis: Genetic and Biochemical Investigation of the Tryptoquialanine Pathway in Penicillium aethiopicum","Journal of the American Chemical Society","2011","133","","2729","2741","10.1021/ja1101085","","","0.71073","MoKα","","0.0765","0.0491","","","0.1414","0.1666","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105690","21.974","0.003","21.974","0.003","10.8958","0.0017","90","","90","","120","","4556.3","1.1","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- C26.08 H27.16 N5 O4.36 -","- C26.08 H27.16 N5 O4.36 -","- C156.48 H162.96 N30 O26.16 -","6","1","","Xue Gao; Yit-Heng Chooi; Brian D. Ames; Peng Wang; Christopher T. Walsh; Yi Tang","Fungal Indole Alkaloid Biosynthesis: Genetic and Biochemical Investigation of the Tryptoquialanine Pathway in Penicillium aethiopicum","Journal of the American Chemical Society","2011","133","","2729","2741","10.1021/ja1101085","","","0.71073","MoKα","","0.0942","0.0703","","","0.1593","0.1713","","","","","","1.081","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105691","7.2644","0.0016","12.669","0.003","18.735","0.004","90","","100.899","0.003","90","","1693.1","0.7","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Keiji Mori; Shosaku Sueoka; Takahiko Akiyama","Expeditious Construction of a Carbobicyclic Skeleton via sp3-C-H Functionalization: Hydride Shift from an Aliphatic Tertiary Position in an Internal Redox Process","Journal of the American Chemical Society","2011","133","","2424","2426","10.1021/ja110520p","","","0.71073","MoKα","","0.0734","0.0603","","","0.1753","0.1849","","","","","","1.094","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105692","15.822","0.003","64.769","0.013","6.4071","0.0013","90","","90","","90","","6566","2","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C288 H352 N32 O48 -","16","1","","Keiji Mori; Shosaku Sueoka; Takahiko Akiyama","Expeditious Construction of a Carbobicyclic Skeleton via sp3-C-H Functionalization: Hydride Shift from an Aliphatic Tertiary Position in an Internal Redox Process","Journal of the American Chemical Society","2011","133","","2424","2426","10.1021/ja110520p","","","0.71073","MoKα","","0.0626","0.0485","","","0.1202","0.128","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105693","10.9836","0.0002","21.6821","0.0004","21.2588","0.0004","90","","100.223","0.001","90","","4982.36","0.16","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sc2C2@C80Ad-G","","","- C97.3 H16.8 Cl1.4 S2.2 Sc2 -","- C97.3 H16.8 Cl1.4 S2.2 Sc2 -","- C389.2 H67.2 Cl5.6 S8.8 Sc8 -","4","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Takeshi Akasaka; Shigeru Nagase","Sc2C2@C80 Rather than Sc2@C82: Templated Formation of Unexpected C2v(5)-C80 and Temperature-Dependent Dynamic Motion of Internal Sc2C2 Cluster","Journal of the American Chemical Society","2011","133","","2382","2385","10.1021/ja1107723","","","0.71073","MoKα","","0.0726","0.0548","","","0.1329","0.1451","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105694","9.976","0.003","37.485","0.013","10.185","0.004","90","","95.426","0.004","90","","3792","2","103.15","","103","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C145 H24 S6 -","- C145 H24 S6 -","- C290 H48 S12 -","2","0.5","","Masakazu Nambo; Yasutomo Segawa; Kenichiro Itami","Aziridinofullerene: A Versatile Platform for Functionalized Fullerenes","Journal of the American Chemical Society","2011","133","","2402","2405","10.1021/ja111213k","","","0.7107","MoKα","","0.1291","0.0846","","","0.1865","0.2144","","","","","","1.097","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105695","16.285","0.01","19.242","0.011","17.514","0.011","90","","111.145","0.006","90","","5119","5","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H29 N O4 S -","- C90 H29 N O4 S -","- C360 H116 N4 O16 S4 -","4","1","","Masakazu Nambo; Yasutomo Segawa; Kenichiro Itami","Aziridinofullerene: A Versatile Platform for Functionalized Fullerenes","Journal of the American Chemical Society","2011","133","","2402","2405","10.1021/ja111213k","","","0.7107","MoKα","","0.3182","0.2606","","","0.5721","0.5962","","","","","","1.857","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105696","26.1251","0.0014","15.6936","0.0009","32.851","0.002","90","","109.296","0.001","90","","12712.2","1.3","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C65 H121 Br14 Cd10 N9 O19 Pt13 -","- C65 H121 Br14 Cd10 N9 O19 Pt13 -","- C260 H484 Br56 Cd40 N36 O76 Pt52 -","4","0.5","","Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Stefano Zacchini; Salvatore Zarra","Icosahedral Pt-Centered Pt13 and Pt19 Carbonyl Clusters Decorated by [Cd5(μ-Br)5Br5-x(solvent)x]x+ Rings Reminiscent of the Decoration of Au-Fe-CO and Au-Thiolate Nanoclusters: A Unifying Approach to Their Electron Counts","Journal of the American Chemical Society","2011","133","","2406","2409","10.1021/ja111235v","","","0.71073","MoKα","","0.0627","0.0345","","","0.0687","0.0803","","","","","","1.043","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105697","17.2308","0.0019","28.34","0.003","32.657","0.004","90","","97.478","0.002","90","","15811","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H84 Br14 Cd10 O25 P2 Pt19 -","- C79 H84 Br14 Cd10 O25 P2 Pt19 -","- C316 H336 Br56 Cd40 O100 P8 Pt76 -","4","1","","Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Stefano Zacchini; Salvatore Zarra","Icosahedral Pt-Centered Pt13 and Pt19 Carbonyl Clusters Decorated by [Cd5(μ-Br)5Br5-x(solvent)x]x+ Rings Reminiscent of the Decoration of Au-Fe-CO and Au-Thiolate Nanoclusters: A Unifying Approach to Their Electron Counts","Journal of the American Chemical Society","2011","133","","2406","2409","10.1021/ja111235v","","","0.71073","MoKα","","0.1825","0.0803","","","0.2003","0.2557","","","","","","1.015","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105698","3.983536","0.000016","3.983536","","17.64582","0.0001","90","","90","","90","","280.014","0.0019","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Co Cu1.89 O2 S2 Sr2 -","- Co Cu1.8902 O2 S2 Sr2 -","- Co2 Cu3.7804 O4 S4 Sr4 -","2","0.0625","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105699","3.99129","0.000016","3.99129","","17.71555","0.00009","90","","90","","90","","282.216","0.0018","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Co Cu1.98 O2 S2 Sr2 -","- Co Cu1.9806 O2 S2 Sr2 -","- Co2 Cu3.9612 O4 S4 Sr4 -","2","0.0625","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105700","10.9469","0.001","9.9127","0.0009","14.182","0.0014","90","","106.996","0.004","90","","1471.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl2 Ni P2 S2 -","- C30 H34 Cl2 Ni P2 S2 -","- C60 H68 Cl4 Ni2 P4 S4 -","2","0.5","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.0283","0.0239","","","0.0667","0.0688","","","","","","1.051","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105701","26.9346","0.0006","13.136","0.0003","25.7007","0.0008","90","","117.767","0.001","90","","8046.1","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Cl6 Ni O8 P2 S2 -","- C32 H36 Cl6 Ni O8 P2 S2 -","- C256 H288 Cl48 Ni8 O64 P16 S16 -","8","1","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","1.54178","CuKα","","0.0673","0.0576","","","0.1682","0.1752","","","","","","1.08","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105702","13.106","0.0002","13.9986","0.0002","14.1567","0.0002","97.644","0.001","112.096","0.001","93.661","0.001","2366.71","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H58 B2 F48 Ni P2 S2 -","- C94 H58 B2 F48 Ni P2 S2 -","- C94 H58 B2 F48 Ni P2 S2 -","1","0.5","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.0708","0.042","","","0.0953","0.1036","","","","","","0.961","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105703","13.2709","0.0006","14.7678","0.0009","23.4392","0.0013","89.618","0.004","74.335","0.003","65.263","0.003","3987.4","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H38 B2 Cl4 F8 Ni P2 S2 -","- C32 H38 B2 Cl4 F8 Ni P2 S2 -","- C128 H152 B8 Cl16 F32 Ni4 P8 S8 -","4","2","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.1379","0.0744","","","0.2034","0.2393","","","","","","0.988","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105704","10.363","0.008","14.232","0.012","11.796","0.01","90","","94.676","0.008","90","","1734","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 F12 Ni P4 S2 -","- C30 H34 F12 Ni P4 S2 -","- C60 H68 F24 Ni2 P8 S4 -","2","0.5","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.038","0.0296","","","0.0758","0.0791","","","","","","1.001","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105705","10.2077","0.0003","13.9734","0.0004","11.4991","0.0003","90","","94.53","0.001","90","","1635.07","0.08","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl2 Ni O8 P2 S2 -","- C30 H34 Cl2 Ni O8 P2 S2 -","- C60 H68 Cl4 Ni2 O16 P4 S4 -","2","0.5","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.0418","0.0364","","","0.1037","0.1066","","","","","","1.079","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105706","15.378","0.002","9.702","0.0012","15.2472","0.0016","90","","105.465","0.01","90","","2192.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 Cl2 Ni P2 S2 -","- C52 H50 Cl2 Ni P2 S2 -","- C104 H100 Cl4 Ni2 P4 S4 -","2","0.5","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","1.54178","CuKα","","0.1466","0.0701","","","0.1357","0.1582","","","","","","0.82","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105707","11.5619","0.001","19.1526","0.0015","24.083","0.002","90","","93.397","0.007","90","","5323.6","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 Cl5 F6 Ni P3 S2 -","- C54 H54 Cl5 F6 Ni P3 S2 -","- C216 H216 Cl20 F24 Ni4 P12 S8 -","4","1","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","1.54178","CuKα","","0.1907","0.0879","","","0.2146","0.2447","","","","","","0.919","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105708","15.7062","0.0002","21.7494","0.0003","15.8611","0.0002","90","","99.135","0.001","90","","5349.44","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H50 F6 Ni O6 P2 S4 -","- C54 H50 F6 Ni O6 P2 S4 -","- C216 H200 F24 Ni4 O24 P8 S16 -","4","1","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.0739","0.0563","","","0.1487","0.1605","","","","","","1.048","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105709","8.9481","0.0007","6.2416","0.0005","16.8398","0.0014","90","","94.779","0.002","90","","937.24","0.13","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Cl N O2 -","- C21 H22 Cl N O2 -","- C42 H44 Cl2 N2 O4 -","2","1","","Ting Ma; Xiao Fu; Choon Wee Kee; Lili Zong; Yuanhang Pan; Kuo-Wei Huang; Choon-Hong Tan","Pentanidium-Catalyzed Enantioselective Phase-Transfer Conjugate Addition Reactions","Journal of the American Chemical Society","2011","133","","2828","2831","10.1021/ja1098353","","","0.71073","MoKα","","0.0513","0.0477","","","0.1205","0.1289","","","","","","1.078","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105710","10.1917","0.0004","17.7338","0.0007","20.2101","0.0008","90","","90","","90","","3652.7","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 Cl N5 O3 -","- C38 H46 Cl N5 O3 -","- C152 H184 Cl4 N20 O12 -","4","1","","Ting Ma; Xiao Fu; Choon Wee Kee; Lili Zong; Yuanhang Pan; Kuo-Wei Huang; Choon-Hong Tan","Pentanidium-Catalyzed Enantioselective Phase-Transfer Conjugate Addition Reactions","Journal of the American Chemical Society","2011","133","","2828","2831","10.1021/ja1098353","","","0.71073","MoKα","","0.0598","0.0523","","","0.1356","0.1418","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105711","29.831","0.003","33.225","0.004","34.49","0.004","70.125","0.01","80.486","0.009","63.721","0.01","28821","6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C498 H532 Cl34 N70 O87 -","- C498 H532 Cl34 N70 O87 -","- C996 H1064 Cl68 N140 O174 -","2","1","","Nicolas Delsuc; Stéphane Massip; Jean-Michel Léger; Brice Kauffmann; Ivan Huc","Relative Helix-Helix Conformations in Branched Aromatic Oligoamide Foldamers","Journal of the American Chemical Society","2011","133","","3165","3172","10.1021/ja110677a","","","1.54178","CuKα","","0.3196","0.2117","","","0.5216","0.5839","","","","","","1.139","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105712","21.925","0.004","27.301","0.005","28.332","0.006","91.736","0.006","106.69","0.005","97.015","0.005","16085","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C254 H244 Cl2 N38 O66 -","- C254 H244 Cl2 N38 O66 -","- C508 H488 Cl4 N76 O132 -","2","1","","Nicolas Delsuc; Stéphane Massip; Jean-Michel Léger; Brice Kauffmann; Ivan Huc","Relative Helix-Helix Conformations in Branched Aromatic Oligoamide Foldamers","Journal of the American Chemical Society","2011","133","","3165","3172","10.1021/ja110677a","","","0.849","synchrotron","","0.1989","0.1861","","","0.4393","0.4513","","","","","","1.121","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105713","47.509","0.01","29.741","0.006","33.604","0.007","90","","134.96","0.03","90","","33598","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C310 H132 N46 O56 -","- C310 H132 N46 O56 -","- C1240 H528 N184 O224 -","4","1","","Nicolas Delsuc; Stéphane Massip; Jean-Michel Léger; Brice Kauffmann; Ivan Huc","Relative Helix-Helix Conformations in Branched Aromatic Oligoamide Foldamers","Journal of the American Chemical Society","2011","133","","3165","3172","10.1021/ja110677a","","","0.85","synchrotron","","0.2189","0.1694","","","0.3886","0.416","","","","","","1.023","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105714","16.361","0.0005","16.8722","0.0006","19.1403","0.0006","101.272","0.001","92.969","0.001","94.35","0.002","5154.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H34 Cl2 I6.02 N12 O0.98 W2 -","- C41 H34 Cl2 I6.02005 N12 O0.98095 W2 -","- C164 H136 Cl8 I24.0802 N48 O3.9238 W8 -","4","2","","Michael Nippe; Samuel M. Goodman; Charles G. Fry; John F. Berry","Chemically Reversible Four-Electron Oxidation and Reduction Utilizing Two Inorganic Functional Groups","Journal of the American Chemical Society","2011","133","","2856","2859","10.1021/ja1114248","","","0.71073","MoKα","","0.025","0.0224","","","0.0554","0.0565","","","","","","1.04","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105715","14.0857","0.0006","15.7157","0.0006","16.9784","0.0007","71.752","0.002","69.914","0.002","77.51","0.002","3327.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H65 B F3 N13 O5 S W2 -","- C71 H65 B F3 N13 O5 S W2 -","- C142 H130 B2 F6 N26 O10 S2 W4 -","2","1","","Michael Nippe; Samuel M. Goodman; Charles G. Fry; John F. Berry","Chemically Reversible Four-Electron Oxidation and Reduction Utilizing Two Inorganic Functional Groups","Journal of the American Chemical Society","2011","133","","2856","2859","10.1021/ja1114248","","","0.71073","MoKα","","0.0515","0.0495","","","0.1318","0.1337","","","","","","1.077","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105716","21.6413","0.001","12.797","0.0006","17.8278","0.0008","90","","120.848","0.002","90","","4238.8","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 F6 N12 O6 S2 W2 -","- C42 H32 F6 N12 O6 S2 W2 -","- C168 H128 F24 N48 O24 S8 W8 -","4","0.5","","Michael Nippe; Samuel M. Goodman; Charles G. Fry; John F. Berry","Chemically Reversible Four-Electron Oxidation and Reduction Utilizing Two Inorganic Functional Groups","Journal of the American Chemical Society","2011","133","","2856","2859","10.1021/ja1114248","","","0.71073","MoKα","","0.0163","0.0134","","","0.0318","0.033","","","","","","1.09","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105717","14.02","0.002","11.5941","0.0012","17.583","0.003","90","","108.598","0.019","90","","2708.9","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H41 N2 P Si3 -","- C21 H41 N2 P Si3 -","- C84 H164 N8 P4 Si12 -","4","1","","Shigeyoshi Inoue; Wenyuan, Wang; Carsten Präsang; Matthew Asay; Elisabeth Irran; Matthias Driess","An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene","Journal of the American Chemical Society","2011","133","","2868","2871","10.1021/ja200462y","","","0.71073","MoKα","","0.1526","0.1033","","","0.2631","0.2751","","","","","","1.446","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105718","19.3556","0.0007","14.2399","0.0004","19.9777","0.0006","90","","90","","90","","5506.3","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H41 N2 P Si3 -","- C21 H41 N2 P Si3 -","- C168 H328 N16 P8 Si24 -","8","1","","Shigeyoshi Inoue; Wenyuan, Wang; Carsten Präsang; Matthew Asay; Elisabeth Irran; Matthias Driess","An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene","Journal of the American Chemical Society","2011","133","","2868","2871","10.1021/ja200462y","","","0.71073","MoKα","","0.127","0.0571","","","0.0889","0.1032","","","","","","0.906","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105719","23.841","0.003","10.1993","0.0012","19.369","0.002","90","","108.346","0.012","90","","4470.4","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 N4 P2 Si2 -","- C44 H60 N4 P2 Si2 -","- C176 H240 N16 P8 Si8 -","4","0.5","","Shigeyoshi Inoue; Wenyuan, Wang; Carsten Präsang; Matthew Asay; Elisabeth Irran; Matthias Driess","An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene","Journal of the American Chemical Society","2011","133","","2868","2871","10.1021/ja200462y","","","0.71073","MoKα","","0.0843","0.0618","","","0.1393","0.1489","","","","","","1.034","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105720","15.5534","0.0016","17.954","0.0018","20.918","0.002","90","","98.286","0.005","90","","5780.3","1","190","1","190","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H31.2 Cl3 Cu2 F24 N5 O9.6 -","- C44 H24 Cu2 F24 N4 O8 -","- C176 H96 Cu8 F96 N16 O32 -","4","1","","Tamara D. Hamilton; Dejan-Krešimir Bučar; Jonas Baltrusaitis; Douglas R. Flanagan; Yingjian Li; Suman Ghorai; Alexei V. Tivanski; Leonard R. MacGillivray","Thixotropic Hydrogel Derived from a Product of an Organic Solid-State Synthesis: Properties and Densities of Metal-Organic Nanoparticles","Journal of the American Chemical Society","2011","133","","3365","3371","10.1021/ja106095w","","","0.71069","MoKα","","0.1247","0.092","","","0.2511","0.2763","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105721","10.3014","0.0011","10.6935","0.0008","10.837","0.0012","90","","116.249","0.004","90","","1070.68","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cl9 Hg6 In2 P3 -","- Cl9 Hg6 In2 P3 -","- Cl18 Hg12 In4 P6 -","2","1","","Xiao-Ming Jiang; Ming-Jian Zhang; Hui-Yi Zeng; Guo-Cong Guo; Jin-Shun Huang","Inorganic Supramolecular Compounds with 3-D Chiral Frameworks Show Potential as Both Mid-IR Second-Order Nonlinear Optical and Piezoelectric Materials","Journal of the American Chemical Society","2011","133","","3410","3418","10.1021/ja107921a","","","0.71073","MoKα","","0.0624","0.0592","","","0.1161","0.1185","","","","","","1.011","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4105722","11.3324","0.0004","11.3324","0.0004","42.768","0.004","90","","90","","120","","4756.6","0.5","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- As4 Bi3 Cl13 Hg8 -","- As4 Bi3 Cl13 Hg8 -","- As24 Bi18 Cl78 Hg48 -","6","1","","Xiao-Ming Jiang; Ming-Jian Zhang; Hui-Yi Zeng; Guo-Cong Guo; Jin-Shun Huang","Inorganic Supramolecular Compounds with 3-D Chiral Frameworks Show Potential as Both Mid-IR Second-Order Nonlinear Optical and Piezoelectric Materials","Journal of the American Chemical Society","2011","133","","3410","3418","10.1021/ja107921a","","","0.71073","MoKα","","0.0544","0.0499","","","0.1141","0.1179","","","","","","1.029","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4105723","13.2372","0.0008","13.2997","0.0009","14.6782","0.0009","91.803","0.005","112.666","0.005","105.47","0.005","2271.8","0.3","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H82 Br2 Cl16 Mn2 N12 Ni3 O14 -","- C74 H82 Br2 Cl16 Mn2 N12 Ni3 O14 -","- C74 H82 Br2 Cl16 Mn2 N12 Ni3 O14 -","1","0.5","","Animesh Das; Klaus Gieb; Yulia Krupskaya; Serhiy Demeshko; Sebastian Dechert; Rüdiger Klingeler; Vladislav Kataev; Bernd Büchner; Paul Müller; Franc Meyer","A New Family of 1D Exchange Biased Heterometal Single-Molecule Magnets: Observation of Pronounced Quantum Tunneling Steps in the Hysteresis Loops of Quasi-Linear {Mn2Ni3} Clusters","Journal of the American Chemical Society","2011","133","","3433","3443","10.1021/ja108740c","","","0.71073","MoKα","","0.07","0.055","","","0.1479","0.156","","","","","","1.038","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105724","18.723","0.003","18.723","0.003","5.7808","0.0012","90","","90","","90","","2026.5","0.6","133","2","133","2","","","","","","","","4","I -4","I -4","82","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C88 H96 N16 O16 -","8","1","","Animesh Das; Klaus Gieb; Yulia Krupskaya; Serhiy Demeshko; Sebastian Dechert; Rüdiger Klingeler; Vladislav Kataev; Bernd Büchner; Paul Müller; Franc Meyer","A New Family of 1D Exchange Biased Heterometal Single-Molecule Magnets: Observation of Pronounced Quantum Tunneling Steps in the Hysteresis Loops of Quasi-Linear {Mn2Ni3} Clusters","Journal of the American Chemical Society","2011","133","","3433","3443","10.1021/ja108740c","","","0.71073","MoKα","","0.0383","0.0365","","","0.0905","0.0916","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105725","13.3948","0.001","13.8821","0.001","14.6735","0.0012","90.078","0.006","115.446","0.006","108.25","0.006","2310.3","0.4","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H76 Cl18 Mn2 N12 Ni3 O14 -","- C74 H76 Cl18 Mn2 N12 Ni3 O14 -","- C74 H76 Cl18 Mn2 N12 Ni3 O14 -","1","0.5","","Animesh Das; Klaus Gieb; Yulia Krupskaya; Serhiy Demeshko; Sebastian Dechert; Rüdiger Klingeler; Vladislav Kataev; Bernd Büchner; Paul Müller; Franc Meyer","A New Family of 1D Exchange Biased Heterometal Single-Molecule Magnets: Observation of Pronounced Quantum Tunneling Steps in the Hysteresis Loops of Quasi-Linear {Mn2Ni3} Clusters","Journal of the American Chemical Society","2011","133","","3433","3443","10.1021/ja108740c","","","0.71073","MoKα","","0.1116","0.0905","","","0.2571","0.2672","","","","","","1.122","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105726","10.509","0.0005","19.7053","0.0007","20.8672","0.0009","90","","100.23","0.0015","90","","4252.5","0.3","173.1","","173.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Fe Mo N4 P4 -","- C44 H54 Fe Mo N4 P4 -","- C176 H216 Fe4 Mo4 N16 P16 -","4","1","","Hiromasa Tanaka; Akira Sasada; Tomohisa Kouno; Masahiro Yuki; Yoshihiro Miyake; Haruyuki Nakanishi; Yoshiaki Nishibayashi; Kazunari Yoshizawa","Molybdenum-Catalyzed Transformation of Molecular Dinitrogen into Silylamine: Experimental and DFT Study on the Remarkable Role of Ferrocenyldiphosphine Ligands","Journal of the American Chemical Society","2011","133","","3498","3506","10.1021/ja109181n","","","0.71075","MoKα","","","0.0508","","","","0.133","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105727","10.6333","0.0003","11.1091","0.0005","19.329","0.0011","101.818","0.006","98.509","0.002","98.229","0.003","2174.5","0.18","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H49 B F10 N P -","- C46.5 H49 B F10 N P -","- C93 H98 B2 F20 N2 P2 -","2","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0606","0.052","","","0.1348","0.1431","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105728","19.5277","0.0008","6.5056","0.0003","18.7809","0.0006","90","","112.021","0.002","90","","2211.85","0.16","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 B F10 N -","- C24 H18 B F10 N -","- C96 H72 B4 F40 N4 -","4","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0532","0.045","","","0.114","0.1214","","","","","","1.048","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105729","19.0148","0.0012","6.3803","0.0004","18.4629","0.001","90","","109.883","0.004","90","","2106.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 B F10 N -","- C23 H16 B F10 N -","- C92 H64 B4 F40 N4 -","4","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0635","0.0593","","","0.1368","0.1396","","","","","","1.071","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105730","8.4497","0.0001","9.7617","0.0001","14.2402","0.0002","71.184","0.001","84.869","0.001","88.108","0.001","1107.34","0.02","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 B F10 N -","- C24 H16 B F10 N -","- C48 H32 B2 F20 N2 -","2","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0519","0.0477","","","0.1288","0.1379","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105731","7.9357","0.0004","11.1685","0.0006","14.6427","0.0009","94.818","0.002","91.78","0.003","103.119","0.004","1257.76","0.12","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 B Cl2 F10 N -","- C24 H16 B Cl2 F10 N -","- C48 H32 B2 Cl4 F20 N2 -","2","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0765","0.0673","","","0.1833","0.1941","","","","","","1.03","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105732","16.518","0.0008","15.2872","0.0006","25.872","0.0011","90","","103.496","0.004","90","","6352.6","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H32 B F10 N -","- C34.5 H32 B F10 N -","- C276 H256 B8 F80 N8 -","8","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0696","0.0516","","","0.1259","0.14","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105733","9.4976","0.0005","12.4411","0.0008","12.8064","0.0008","88.834","0.004","78.248","0.003","74.602","0.005","1427.4","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.5 H20 B Cl2 F10 N -","- C24.5 H20 B Cl2 F10 N -","- C49 H40 B2 Cl4 F20 N2 -","2","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0909","0.0792","","","0.2429","0.2608","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105734","20.4261","0.0007","10.3146","0.0003","31.7887","0.0011","90","","103.898","0.002","90","","6501.4","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 B F10 N O2 -","- C35 H32 B F10 N O2 -","- C280 H256 B8 F80 N8 O16 -","8","2","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.1585","0.0795","","","0.2058","0.2648","","","","","","1.014","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105735","19.6639","0.0015","8.7482","0.0007","17.194","0.0013","90","","108.577","0.0009","90","","2803.7","0.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 S4 Si2 U -","- C24 H40 S4 Si2 U -","- C96 H160 S16 Si8 U4 -","4","0.5","","Nathan A. Siladke; Joseph W. Ziller; William J. Evans","Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U","Journal of the American Chemical Society","2011","133","","3507","3516","10.1021/ja109491k","","","0.71073","MoKα","","0.0181","0.0162","","","0.0369","0.0376","","","","","","1.094","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105736","14.9569","0.0009","19.1828","0.0011","24.774","0.0015","90","","95.2545","0.0007","90","","7078.2","0.7","148","2","148","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H108 N4 O4 Si4 U2 -","- C66 H108 N4 O4 Si4 U2 -","- C264 H432 N16 O16 Si16 U8 -","4","0.5","","Nathan A. Siladke; Joseph W. Ziller; William J. Evans","Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U","Journal of the American Chemical Society","2011","133","","3507","3516","10.1021/ja109491k","","","0.71073","MoKα","","0.0201","0.0175","","","0.0434","0.0444","","","","","","1.044","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105737","10.8031","0.0006","12.6268","0.0007","14.8665","0.0008","92.118","0.0006","91.9633","0.0006","112.882","0.0005","1864.45","0.18","148","2","148","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H63 N3 Si2 U -","- C36 H63 N3 Si2 U -","- C72 H126 N6 Si4 U2 -","2","1","","Nathan A. Siladke; Joseph W. Ziller; William J. Evans","Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U","Journal of the American Chemical Society","2011","133","","3507","3516","10.1021/ja109491k","","","0.71073","MoKα","","0.0162","0.0158","","","0.0399","0.0401","","","","","","1.04","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105738","10.0856","0.0005","17.4636","0.0009","19.6548","0.001","90","","104.761","0.0007","90","","3347.6","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 N2 Si2 U -","- C34 H58 N2 Si2 U -","- C136 H232 N8 Si8 U4 -","4","1","","Nathan A. Siladke; Joseph W. Ziller; William J. Evans","Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U","Journal of the American Chemical Society","2011","133","","3507","3516","10.1021/ja109491k","","","0.71073","MoKα","","0.0739","0.0326","","","0.0636","0.0744","","","","","","1.013","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105739","9.3905","0.0012","9.3905","0.0012","36.349","0.005","90","","90","","120","","2775.9","0.6","103","2","103","2","","","","","","","","5","P 31 2 1","P 31 2""","152","GWA281","toste22","","- C19 H20 N2 O4 S -","- C19 H20 N2 O4 S -","- C114 H120 N12 O24 S6 -","6","1","","Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste","Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones","Journal of the American Chemical Society","2011","133","","3517","3527","10.1021/ja1095045","","","0.71073","MoKα","","0.0289","0.0266","","","0.0677","0.0692","","","","","","1.046","","","","has coordinates","278043","2022-09-21","13:11:05",""
"4105740","6.4038","0.0002","19.3388","0.0005","22.3333","0.0005","90","","90","","90","","2765.8","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","GWA303","toste23","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","1","","Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste","Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones","Journal of the American Chemical Society","2011","133","","3517","3527","10.1021/ja1095045","","","1.54178","CuKα","","0.0782","0.0765","","","0.1738","0.1748","","","","","","1.089","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105741","13.6511","0.0006","13.6511","0.0006","26.5755","0.0012","90","","90","","90","","4952.4","0.4","143","2","143","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C50 H52 Au2 Cl4 P2 -","- C50 H50 Au2 Cl4.004 P2 -","- C200 H200 Au8 Cl16.016 P8 -","4","0.5","","Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste","Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones","Journal of the American Chemical Society","2011","133","","3517","3527","10.1021/ja1095045","","","0.71073","MoKα","","0.0162","0.0152","","","0.0413","0.0419","","","","","","1.03","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105742","12.415","0.004","14.797","0.005","17.908","0.006","113.658","0.005","97.462","0.006","105.884","0.005","2788.9","1.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H58 B Co F6 Fe N13 O2 P -","- C48 H58 B Co F6 Fe N13 O2 P -","- C96 H116 B2 Co2 F12 Fe2 N26 O4 P2 -","2","1","","Masayuki Nihei; Yoshihiro Sekine; Naoki Suganami; Kento Nakazawa; Akiko Nakao; Hironori Nakao; Youichi Murakami; Hiroki Oshio","Controlled Intramolecular Electron Transfers in Cyanide-Bridged Molecular Squares by Chemical Modifications and External Stimuli","Journal of the American Chemical Society","2011","133","","3592","3600","10.1021/ja109721w","","","0.71073","MoKα","","0.0872","0.0691","","","0.2065","0.2238","","","","","","1.067","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105743","49.4505","0.0012","38.6559","0.001","29.9596","0.0009","90","","113.884","0.0008","90","","52365","2","298","2","298","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C220 H296 B4 Co4 F24 Fe4 N52 O4 P4 -","- C220 H296 B4 Co4 F24 Fe4 N52 O4 P4 -","- C1760 H2368 B32 Co32 F192 Fe32 N416 O32 P32 -","8","1","","Masayuki Nihei; Yoshihiro Sekine; Naoki Suganami; Kento Nakazawa; Akiko Nakao; Hironori Nakao; Youichi Murakami; Hiroki Oshio","Controlled Intramolecular Electron Transfers in Cyanide-Bridged Molecular Squares by Chemical Modifications and External Stimuli","Journal of the American Chemical Society","2011","133","","3592","3600","10.1021/ja109721w","","","1","synchrotron","","0.2235","0.1817","","","0.5003","0.5346","","","","","","1.754","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105744","14.255","0.006","12.02","0.005","25.401","0.011","90","","105.657","0.009","90","","4191","3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39 H42 B Co F6 Fe N13 O P -","- C39 H42 B Co F6 Fe N13 O P -","- C156 H168 B4 Co4 F24 Fe4 N52 O4 P4 -","4","1","","Masayuki Nihei; Yoshihiro Sekine; Naoki Suganami; Kento Nakazawa; Akiko Nakao; Hironori Nakao; Youichi Murakami; Hiroki Oshio","Controlled Intramolecular Electron Transfers in Cyanide-Bridged Molecular Squares by Chemical Modifications and External Stimuli","Journal of the American Chemical Society","2011","133","","3592","3600","10.1021/ja109721w","","","0.71073","MoKα","","0.0847","0.0646","","","0.1295","0.1374","","","","","","1.132","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105745","12.04","0.0012","22.7606","0.0018","13.3116","0.0013","90","","110.433","0.002","90","","3418.4","0.6","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 F3 I P2 Pd -","- C38 H30 F3 I P2 Pd -","- C152 H120 F12 I4 P8 Pd4 -","4","1","","Masato Ohashi; Tadashi Kambara; Tsubasa Hatanaka; Hiroki Saijo; Ryohei Doi; Sensuke Ogoshi","Palladium-Catalyzed Coupling Reactions of Tetrafluoroethylene with Arylzinc Compounds","Journal of the American Chemical Society","2011","133","","3256","3259","10.1021/ja109911p","","","0.71075","MoKα","","0.1727","0.0746","","","0.1186","0.1516","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105746","18.0191","0.0009","9.5138","0.0005","20.8353","0.0011","90","","91.319","0.0018","90","","3570.9","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H60 F8 P4 Pd2 -","- C83 H60 F8 P4 Pd2 -","- C166 H120 F16 P8 Pd4 -","2","0.5","","Masato Ohashi; Tadashi Kambara; Tsubasa Hatanaka; Hiroki Saijo; Ryohei Doi; Sensuke Ogoshi","Palladium-Catalyzed Coupling Reactions of Tetrafluoroethylene with Arylzinc Compounds","Journal of the American Chemical Society","2011","133","","3256","3259","10.1021/ja109911p","","","0.71075","MoKα","","0.0437","0.036","","","0.0788","0.0832","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105747","9.772","0.0012","10.0074","0.0012","24.521","0.003","90","","90","","90","","2398","0.5","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 N O -","- C31 H27 N O -","- C124 H108 N4 O4 -","4","1","","Yoshiaki Nakao; Eiji Morita; Hiroaki Idei; Tamejiro Hiyama","Dehydrogenative [4 + 2] Cycloaddition of Formamides with Alkynes through Double C-H Activation","Journal of the American Chemical Society","2011","133","","3264","3267","10.1021/ja1102037","","","0.71073","MoKα","","0.0452","0.0391","","","0.1029","0.1057","","","","","","1.053","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105748","9.7598","0.0006","10.5782","0.0006","24.5736","0.0014","90","","90","","90","","2537","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N O Si -","- C28 H31 N O Si -","- C112 H124 N4 O4 Si4 -","4","1","","Yoshiaki Nakao; Eiji Morita; Hiroaki Idei; Tamejiro Hiyama","Dehydrogenative [4 + 2] Cycloaddition of Formamides with Alkynes through Double C-H Activation","Journal of the American Chemical Society","2011","133","","3264","3267","10.1021/ja1102037","","","0.71073","MoKα","","0.0682","0.0597","","","0.1678","0.1731","","","","","","1.025","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105749","11.0019","0.0007","17.2179","0.0011","10.9544","0.0007","90","","91.746","0.001","90","","2074.1","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O -","- C24 H29 N O -","- C96 H116 N4 O4 -","4","1","","Yoshiaki Nakao; Eiji Morita; Hiroaki Idei; Tamejiro Hiyama","Dehydrogenative [4 + 2] Cycloaddition of Formamides with Alkynes through Double C-H Activation","Journal of the American Chemical Society","2011","133","","3264","3267","10.1021/ja1102037","","","0.71073","MoKα","","0.0673","0.0551","","","0.1606","0.1666","","","","","","1.099","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105750","19.4713","0.0012","21.8175","0.0013","38.491","0.002","77.593","0.001","87.137","0.001","64.968","0.001","14454.2","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C285.5 H373 Cl27 N16 O36.5 -","- C285.5 H373 Cl27 N16 O36.5 -","- C571 H746 Cl54 N32 O73 -","2","1","","Junling Sun; James L. Bennett; Thomas J. Emge; Ralf Warmuth","Thermodynamically Controlled Synthesis of a Chiral Tetra-cavitand Nanocapsule and Mechanism of Enantiomerization.","Journal of the American Chemical Society","2011","133","","3268","3271","10.1021/ja110475w","","","0.71073","MoKα","","0.1671","0.124","","","0.3483","0.3855","","","","","","1.435","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105751","10.6295","0.0008","14.1773","0.0011","14.8586","0.0012","96.988","0.0015","106.604","0.0015","105.952","0.0016","2013.9","0.3","223.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H44 O2 P2 Pd2 -","- C45 H44 O2 P2 Pd2 -","- C90 H88 O4 P4 Pd4 -","2","1","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.0485","","","","0.0959","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105752","13.218","0.002","10.4537","0.0016","17.73","0.003","90","","110.013","0.003","90","","2301.9","0.6","223.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 P2 Pd2 -","- C18 H40 P2 Pd2 -","- C72 H160 P8 Pd8 -","4","1","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.0472","","","","0.0894","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105753","13.942","0.003","13.634","0.003","14.518","0.003","90","","116.264","0.005","90","","2474.8","0.9","223.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 P2 Pd2 -","- C20 H44 P2 Pd2 -","- C80 H176 P8 Pd8 -","4","1","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.0664","","","","0.1076","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105754","19.5182","0.0011","12.1763","0.0007","24.6715","0.0012","90","","107.442","0.004","90","","5593.8","0.5","223","","223","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C60 H82 N4 Pd2 -","- C60 H82 N4 Pd2 -","- C240 H328 N16 Pd8 -","4","0.5","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.051","","","","0.095","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105755","14.9251","0.002","12.7222","0.0016","25.002","0.003","90","","90.531","0.006","90","","4747.2","1","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 N4 Pd -","- C54 H72 N4 Pd -","- C216 H288 N16 Pd4 -","4","1","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.0855","","","","0.1581","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105756","9.659","0.002","11.105","0.003","10.452","0.003","90","","106.529","0.008","90","","1074.8","0.5","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H32 O2 P2 Pd2 -","- C15 H32 O2 P2 Pd2 -","- C30 H64 O4 P4 Pd4 -","2","1","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.0239","","","","0.0438","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105757","5.8343","0.0015","7.5006","0.0019","23.903","0.006","90","","94.66","0.004","90","","1042.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 I O2 -","- C12 H7 I O2 -","- C48 H28 I4 O8 -","4","1","","Yuta Fujiwara; Victoriano Domingo; Ian B. Seiple; Ryan Gianatassio; Matthew Del Bel; Phil S. Baran","Practical C-H Functionalization of Quinones with Boronic Acids","Journal of the American Chemical Society","2011","133","","3292","3295","10.1021/ja111152z","","","0.71073","MoKα","","0.028","0.0231","","","0.052","0.0549","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105758","5.4994","0.0001","11.142","0.0002","21.8188","0.0004","90","","90","","90","","1336.93","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Xin Cui; Xue Xu; Hongjian Lu; Shifa Zhu; Lukasz Wojtas; X. Peter Zhang","Enantioselective Cyclopropenation of Alkynes with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis","Journal of the American Chemical Society","2011","133","","3304","3307","10.1021/ja111334j","","","1.54178","CuKα","","0.0347","0.0329","","","0.0827","0.084","","","","","","1.072","","","","has coordinates","273003","2022-02-17","12:14:56",""
"4105759","5.766","0.0001","13.9219","0.0002","18.1101","0.0002","90","","90","","90","","1453.76","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Br N O2 -","- C15 H14 Br N O2 -","- C60 H56 Br4 N4 O8 -","4","1","","Xin Cui; Xue Xu; Hongjian Lu; Shifa Zhu; Lukasz Wojtas; X. Peter Zhang","Enantioselective Cyclopropenation of Alkynes with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis","Journal of the American Chemical Society","2011","133","","3304","3307","10.1021/ja111334j","","","1.54178","CuKα","","0.0211","0.0208","","","0.0524","0.0525","","","","","","1.094","","","","has coordinates","273003","2022-02-17","12:14:56",""
"4105760","5.5837","0.0002","11.977","0.0004","26.7431","0.0009","90","","90","","90","","1788.47","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 S -","- C18 H23 N O2 S -","- C72 H92 N4 O8 S4 -","4","1","","Xin Cui; Xue Xu; Hongjian Lu; Shifa Zhu; Lukasz Wojtas; X. Peter Zhang","Enantioselective Cyclopropenation of Alkynes with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis","Journal of the American Chemical Society","2011","133","","3304","3307","10.1021/ja111334j","","","1.54178","CuKα","","0.0382","0.0347","","","0.0862","0.088","","","","","","1.049","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105761","10.9975","0.0008","12.0887","0.0009","21.6801","0.0014","94.415","0.004","94.031","0.004","116.913","0.004","2544.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H43 O2 P Pd -","- C24 H43 O2 P Pd -","- C96 H172 O8 P4 Pd4 -","4","2","","Yichen Tan; John F. Hartwig","Assessment of the Intermediacy of Arylpalladium Carboxylate Complexes in the Direct Arylation of Benzene: Evidence for C-H Bond Cleavage by ""Ligandless"" Species","Journal of the American Chemical Society","2011","133","","3308","3311","10.1021/ja1113936","","","0.71073","MoKα","","0.0726","0.0564","","","0.1571","0.1778","","","","","","1.019","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105762","9.4246","0.0011","17.954","0.002","11.732","0.0014","90","","110.801","0.002","90","","1855.8","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H43 B Cl2 F4 N2 -","- C41 H43 B Cl2 F4 N2 -","- C82 H86 B2 Cl4 F8 N4 -","2","1","","Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Enantioselective Synthesis of Homoallylic Amines through Reactions of (Pinacolato)allylborons with Aryl-, Heteroaryl-, Alkyl-, or Alkene-Substituted Aldimines Catalyzed by Chiral C1-Symmetric NHC-Cu Complexes","Journal of the American Chemical Society","2011","133","","3332","3335","10.1021/ja200311n","","","0.71073","MoKα","","0.0614","0.0554","","","0.1518","0.1581","","","","","","1.044","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105763","8.6853","0.0005","11.3946","0.0006","20.2971","0.0011","74.297","0.003","79.005","0.003","89.123","0.003","1896.84","0.18","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H22 N O P -","- C22 H22 N O P -","- C88 H88 N4 O4 P4 -","4","4","","Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Enantioselective Synthesis of Homoallylic Amines through Reactions of (Pinacolato)allylborons with Aryl-, Heteroaryl-, Alkyl-, or Alkene-Substituted Aldimines Catalyzed by Chiral C1-Symmetric NHC-Cu Complexes","Journal of the American Chemical Society","2011","133","","3332","3335","10.1021/ja200311n","","","0.71073","MoKα","","0.0966","0.059","","","0.1352","0.156","","","","","","1","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105764","10.6174","0.001","10.85","0.001","23.503","0.002","84.54","0.002","83.122","0.002","75.734","0.002","2599.1","0.4","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H81 Fe3 N6 O Si3 -","- C49 H81 Fe3 N6 O Si3 -","- C98 H162 Fe6 N12 O2 Si6 -","2","1","","Tamara M. Powers; Alison R. Fout; Shao-Liang Zheng; Theodore A. Betley","Oxidative Group Transfer to a Triiron Complex to Form a Nucleophilic μ3-Nitride, [Fe3(μ3-N)]-","Journal of the American Chemical Society","2011","133","","3336","3338","10.1021/ja2003445","","","0.71073","MoKα","","0.0532","0.0378","","","0.0852","0.093","","","","","","1.027","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105765","26.559","0.003","11.6673","0.0011","23.123","0.002","90","","108.849","0.002","90","","6780.9","1.2","100","1","100","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C62 H111 Fe3 N8 O Si3 -","- C62 H111 Fe3 N8 O Si3 -","- C248 H444 Fe12 N32 O4 Si12 -","4","1","","Tamara M. Powers; Alison R. Fout; Shao-Liang Zheng; Theodore A. Betley","Oxidative Group Transfer to a Triiron Complex to Form a Nucleophilic μ3-Nitride, [Fe3(μ3-N)]-","Journal of the American Chemical Society","2011","133","","3336","3338","10.1021/ja2003445","","","0.71073","MoKα","","0.0777","0.0492","","","0.095","0.1047","","","","","","1.037","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105766","10.057","0.002","11.562","0.003","20.327","0.004","82.832","0.004","89.866","0.004","89.039","0.004","2344.8","0.9","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H69 Fe3 N7 Si3 -","- C43 H69 Fe3 N7 Si3 -","- C86 H138 Fe6 N14 Si6 -","2","1","","Tamara M. Powers; Alison R. Fout; Shao-Liang Zheng; Theodore A. Betley","Oxidative Group Transfer to a Triiron Complex to Form a Nucleophilic μ3-Nitride, [Fe3(μ3-N)]-","Journal of the American Chemical Society","2011","133","","3336","3338","10.1021/ja2003445","","","0.71073","MoKα","","0.2186","0.1196","","","0.275","0.3115","","","","","","1.074","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105767","24.281","0.003","14.6355","0.0014","31.244","0.004","90","","101.259","0.009","90","","10889","2","138","2","138","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C119 H82 Cl6 Cu4 I4 N12 -","- C119 H82 Cl6 Cu4 I4 N12 -","- C476 H328 Cl24 Cu16 I16 N48 -","4","1","","Zhiwei Liu; Munzarin F. Qayyum; Chao Wu; Matthew T. Whited; Peter I. Djurovich; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Mark E. Thompson","A Codeposition Route to CuI-Pyridine Coordination Complexes for Organic Light-Emitting Diodes","Journal of the American Chemical Society","2011","133","","3700","3703","10.1021/ja1065653","","","0.71073","MoKα","","0.1008","0.0538","","","0.1133","0.1254","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105768","8.074","0.0003","16.133","0.0007","18.627","0.0008","90","","100.591","0.0019","90","","2384.98","0.17","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CoIIITren","CoIIITren","","- C13 H28 Co F12 N5 P2 S -","- C13 H28 Co F12 N5 P2 S -","- C52 H112 Co4 F48 N20 P8 S4 -","4","1","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.1544","0.0507","","","0.0747","0.0891","","","","","","1.001","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105769","13.489","0.0007","8.7463","0.0012","15.1258","0.0013","90","0.004","90","0.005","90","0.003","1784.5","0.3","130","2","130","2","","","","","","","","8","P n m a","-P 2ac 2n","62","CDS011","CDS011","","- C11 H26 Co F6 N4 O P S -","- C11 H26 Co F6 N4 O P S -","- C44 H104 Co4 F24 N16 O4 P4 S4 -","4","0.5","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.1203","0.0749","","","0.1521","0.1731","","","","","","1.055","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105770","7.576","0.0006","14.5673","0.0013","18.378","0.0018","90","","90","","90","","2028.2","0.3","130","2","130","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","CDS002","CDS002","","- C13 H29 Co F6 N5 O P S -","- C13 H29 Co F6 N5 O P S -","- C52 H116 Co4 F24 N20 O4 P4 S4 -","4","1","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.1","0.0565","","","0.11","0.1281","","","","","","1.073","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105771","8.579","0.0008","8.356","0.002","34.839","0.008","90","","90.581","0.01","90","","2497.3","0.9","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CDS023","CDS023","","- C15 H30 Co F6 N5 O8 S2 -","- C15 H30 Co F6 N5 O8 S2 -","- C60 H120 Co4 F24 N20 O32 S8 -","4","1","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.0746","0.051","","","0.1166","0.1263","","","","","","1.04","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105772","8.4743","0.0002","9.9717","0.0003","19.2114","0.0006","92.846","0.002","94.772","0.002","114.413","0.0012","1466.82","0.07","130","2","130","2","","","","","","","","7","P 1","P 1","1","CDS021","CDS021","","- C36 H65 Co2 F12 N13 O14 S4 -","- C36 H65 Co2 F12 N13 O14 S4 -","- C36 H65 Co2 F12 N13 O14 S4 -","1","1","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.0622","0.0556","","","0.1422","0.148","","","","","","1.092","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105773","5.7947","0.0002","8.2165","0.0003","26.4454","0.0011","90","","90","","90","","1259.12","0.08","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","","Magnus Rueping; Uxue Uria; Ming-Yuan Lin; Iuliana Atodiresei","Chiral Organic Contact Ion Pairs in Metal-Free Catalytic Asymmetric Allylic Substitutions","Journal of the American Chemical Society","2011","133","","3732","3735","10.1021/ja110213t","","","1.54178","CuKα","","0.025","0.025","","0.03","","0.03","","","3.137","","","3.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105774","11.106","0.005","11.266","0.005","11.436","0.005","98.365","0.002","111.26","0.004","105.751","0.005","1235.1","1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 B Br2 O3 Si -","- C22 H29 B Br2 O3 Si -","- C44 H58 B2 Br4 O6 Si2 -","2","1","","Kazuta Ito; Hiroto Tamashima; Nobuharu Iwasawa; Hiroyuki Kusama","Photochemically Promoted Transition Metal-Free Cross-Coupling of Acylsilanes with Organoboronic Esters","Journal of the American Chemical Society","2011","133","","3716","3719","10.1021/ja1102597","","","0.71073","MoKα","","0.0712","0.0499","","","0.1085","0.1255","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105775","12.285","0.0008","16.5578","0.001","16.7837","0.0008","74.767","0.005","71.089","0.005","70.386","0.006","2996.6","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O -","- C17 H24 O -","- C136 H192 O8 -","8","4","","Guobi Chai; Shangze Wu; Chunling Fu; Shengming Ma","A Straightforward Synthesis of Cyclobutenones via a Tandem Michael Addition/Cyclization Reaction of 2,3-Allenoates with Organozincs","Journal of the American Chemical Society","2011","133","","3740","3743","10.1021/ja1108694","","","1.54184","CuKα","","0.1135","0.0717","","","0.2006","0.2317","","","","","","1.038","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105776","9.0113","0.0012","9.5129","0.0012","16.236","0.002","90","","96.7","0.004","90","","1382.3","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O -","- C18 H16 O -","- C72 H64 O4 -","4","1","","Guobi Chai; Shangze Wu; Chunling Fu; Shengming Ma","A Straightforward Synthesis of Cyclobutenones via a Tandem Michael Addition/Cyclization Reaction of 2,3-Allenoates with Organozincs","Journal of the American Chemical Society","2011","133","","3740","3743","10.1021/ja1108694","","","0.71073","MoKα","","0.0432","0.0386","","","0.106","0.1129","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105777","21.784","0.003","10.1799","0.0013","8.4941","0.001","90","","90","","90","","1883.6","0.4","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H31 P3 S W -","- C13 H31 P3 S W -","- C52 H124 P12 S4 W4 -","4","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0391","0.0264","","","0.043","0.0456","","","","","","1.001","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105778","16.282","0.003","32.499","0.006","9.152","0.0016","90","","90","","90","","4842.8","1.5","149","2","149","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H42 P4 S W -","- C16 H42 P4 S W -","- C128 H336 P32 S8 W8 -","8","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0386","0.0276","","","0.0535","0.0568","","","","","","1.042","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105779","14.6865","0.0016","19.5","0.002","18.62","0.002","90","","105.02","0.002","90","","5150.3","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 P4 S W -","- C20 H42 P4 S W -","- C160 H336 P32 S8 W8 -","8","2","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0514","0.042","","","0.0994","0.105","","","","","","1.046","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105780","18.507","0.002","15.22","0.002","19.118","0.003","90","","98.724","0.002","90","","5322.8","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 P4 S W -","- C20 H44 P4 S W -","- C160 H352 P32 S8 W8 -","8","2","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0786","0.0514","","","0.1065","0.1177","","","","","","1.038","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105781","9.6343","0.0011","12.1821","0.0014","13.596","0.0015","85.772","0.002","72.371","0.002","68.587","0.001","1414.6","0.3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H48 P4 S W -","- C20 H48 P4 S W -","- C40 H96 P8 S2 W2 -","2","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.029","0.0239","","","0.0493","0.0508","","","","","","1.013","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105782","8.997","0.0013","10.0679","0.0015","15.782","0.002","80.769","0.002","73.792","0.002","84.386","0.002","1352.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H44 P4 S W -","- C20 H44 P4 S W -","- C40 H88 P8 S2 W2 -","2","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0688","0.0434","","","0.0685","0.075","","","","","","1.022","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105783","10.2637","0.0011","21.784","0.002","16.7801","0.0018","90","","94.326","0.002","90","","3741.1","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H58 P6 S W2 -","- C29 H58 P6 S W2 -","- C116 H232 P24 S4 W8 -","4","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0371","0.0253","","","0.0517","0.0556","","","","","","1.017","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105784","17.396","0.004","25.696","0.006","22.829","0.004","90","","130.765","0.011","90","","7729","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H134 Ag16 N11 O60 P8 V8 -","- C84 H128 Ag16 N11 O60 P8 V8 -","- C168 H256 Ag32 N22 O120 P16 V16 -","2","0.5","","Yun-Peng Xie; Thomas C. W. Mak","Silver(I)-Ethynide Clusters Constructed with Phosphonate-Functionized Polyoxovanadates","Journal of the American Chemical Society","2011","133","","3760","3763","10.1021/ja1112035","","","0.71073","MoKα","","0.128","0.0675","","","0.1773","0.2292","","","","","","1.032","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105785","23.597","0.007","23.139","0.007","33.025","0.01","90","","99.636","0.006","90","","17778","9","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C233 H284 Ag43 N11 O97 P12 V18 -","- C233 H280 Ag43 N11 O97 P12 V18 -","- C466 H560 Ag86 N22 O194 P24 V36 -","2","1","","Yun-Peng Xie; Thomas C. W. Mak","Silver(I)-Ethynide Clusters Constructed with Phosphonate-Functionized Polyoxovanadates","Journal of the American Chemical Society","2011","133","","3760","3763","10.1021/ja1112035","","","0.71073","MoKα","","0.0791","0.0506","","","0.1235","0.1434","","","","","","1.067","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105786","8.3414","0.0002","16.7694","0.0004","21.3895","0.0005","94.67","0.001","91.852","0.001","103.881","0.001","2890.79","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 N2 O8 Rh2 -","- C29 H36 N2 O8 Rh2 -","- C116 H144 N8 O32 Rh8 -","4","2","","Kwak, Jaesung; Kim, Min; Chang, Sukbok","Rh(NHC)-Catalyzed Direct and Selective Arylation of Quinolines at the 8-Position","Journal of the American Chemical Society","2011","133","11","3780","3783","10.1021/ja111670s","","","0.71073","MoKα","","0.0787","0.0511","","","0.1189","0.1376","","","","","","1.079","","","","has coordinates","219277","2020-10-21","18:00:00",""
"4105787","11.6254","0.0012","12.3668","0.0012","12.9283","0.0013","102.254","0.001","110.145","0.001","110.139","0.001","1518.5","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H98 N6 O2 Si8 Y2 -","- C39 H88 N6 O2 Si8 Y2 -","- C39 H88 N6 O2 Si8 Y2 -","1","0.5","","Ming Fang; David S. Lee; Joseph W. Ziller; Robert J. Doedens; Jefferson E. Bates; Filipp Furche; William J. Evans","Synthesis of the (N2)3- Radical from Y2+ and Its Protonolysis Reactivity To Form (N2H2)2- via the Y[N(SiMe3)2]3/KC8 Reduction System","Journal of the American Chemical Society","2011","133","","3784","3787","10.1021/ja1116827","","","0.71073","MoKα","","0.0584","0.0423","","","0.1077","0.1169","","","","","","1.031","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105788","12.6045","0.0009","20.6981","0.0015","10.7025","0.0008","90","","100.839","0.001","90","","2742.4","0.3","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H90 N6 O2 Si8 Y2 -","- C32 H88 N6 O2 Si8 Y2 -","- C64 H176 N12 O4 Si16 Y4 -","2","0.5","","Ming Fang; David S. Lee; Joseph W. Ziller; Robert J. Doedens; Jefferson E. Bates; Filipp Furche; William J. Evans","Synthesis of the (N2)3- Radical from Y2+ and Its Protonolysis Reactivity To Form (N2H2)2- via the Y[N(SiMe3)2]3/KC8 Reduction System","Journal of the American Chemical Society","2011","133","","3784","3787","10.1021/ja1116827","","","0.71073","MoKα","","0.065","0.0432","","","0.1026","0.114","","","","","","1.033","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105789","10.865","0.004","23.466","0.005","11.602","0.002","90","","112.64","0.02","90","","2730.1","1.3","161","2","161","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Gd2 N6 O2 Si8 -","- C32 H88 Gd2 N6 O2 Si8 -","- C64 H176 Gd4 N12 O4 Si16 -","2","0.5","","Ming Fang; David S. Lee; Joseph W. Ziller; Robert J. Doedens; Jefferson E. Bates; Filipp Furche; William J. Evans","Synthesis of the (N2)3- Radical from Y2+ and Its Protonolysis Reactivity To Form (N2H2)2- via the Y[N(SiMe3)2]3/KC8 Reduction System","Journal of the American Chemical Society","2011","133","","3784","3787","10.1021/ja1116827","","","0.71073","MoKα","","0.0439","0.0301","","","0.0631","0.0672","","","","","","1.095","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105790","6.9951","0.0012","6.9951","0.0012","8.028","0.003","90","","90","","90","","392.82","0.18","273","2","273","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cr H12 N3 O8 -","- Cr H14 N3 O8 -","- Cr2 H28 N6 O16 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0247","0.0247","","","0.0621","0.0621","","","","","","1.253","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105791","9.8893","0.0012","9.889","","8.0326","0.001","90","","90","","90","","785.55","0.14","203","2","203","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cr H12 N3 O8 -","- Cr H12 N3 O8 -","- Cr4 H48 N12 O32 -","4","0.5","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0295","0.0291","","","0.0712","0.0714","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105792","10","2","10.0176","0.001","8.0201","0.001","90.013","0.001","90.008","0.003","90.004","0.002","803","16","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- Cr H12 N3 O8 -","- Cr N3 O8 -","- Cr4 N12 O32 -","4","4","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0601","0.0567","","","0.1569","0.1598","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105793","6.9862","0.0003","6.9862","0.0003","7.9044","0.0006","90","","90","","90","","385.79","0.04","193","2","193","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cr H8 N2 O8 Rb -","- Cr H8 N1.62 O8 Rb1.38 -","- Cr2 H16 N3.24 O16 Rb2.76 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0242","0.0242","","","0.064","0.0641","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105794","7.0386","0.0003","7.0386","0.0003","8.1748","0.0008","90","","90","","90","","405","0.05","173","2","173","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cr Cs H8 N2 O8 -","- Cr Cs H8 N2 O8 -","- Cr2 Cs2 H16 N4 O16 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0122","0.0122","","","0.0308","0.0308","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105795","21.394","0.003","17.58","0.002","13.7909","0.0018","90","","90","","90","","5186.8","1.2","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C90 H4 Cl8 La2 N4 O -","- C90 H4 Cl8 La2 N4 O -","- C360 H16 Cl32 La8 N16 O4 -","4","0.5","","Michio Yamada; Mari Minowa; Satoru Sato; Zdenek Slanina; Takahiro Tsuchiya; Yutaka Maeda; Shigeru Nagase; Takeshi Akasaka","Regioselective Cycloaddition of La2@Ih-C80 with Tetracyanoethylene Oxide: Formation of an Endohedral Dimetallofullerene Adduct Featuring Enhanced Electron-Accepting Character","Journal of the American Chemical Society","2011","133","","3796","3799","10.1021/ja2000243","","x-ray","0.71073","MoKα","","0.1366","0.1182","","","0.2318","0.2409","","","","","","1.144","","","","has coordinates,has disorder","295947","2024-11-15","22:25:06",""
"4105796","14.8232","0.0008","25.049","0.001","15.2283","0.0007","90","","96.895","0.004","90","","5613.5","0.5","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H46 Cl6 N2 O6 Pt2 -","- C64 H46 Cl6 N2 O6 Pt2 -","- C256 H184 Cl24 N8 O24 Pt8 -","4","1","","Emmanuel Anger; Mark Rudolph; Chengshuo Shen; Nicolas Vanthuyne; Loïc Toupet; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","From Hetero- to Homochiral Bis(metallahelicene)s Based on a PtIII-PtIII Bonded Scaffold: Isomerization, Structure, and Chiroptical Properties","Journal of the American Chemical Society","2011","133","","3800","3803","10.1021/ja200129y","","","0.71073","MoKα","","0.1156","0.0548","","","0.1293","0.1394","","","","","","0.801","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105797","12.765","0.0008","14.6415","0.0008","17.5626","0.001","92.314","0.003","99.295","0.004","98.755","0.003","3194.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H45 Cl11 N2 O6 Pt2 -","- C65 H45 Cl11 N2 O6 Pt2 -","- C130 H90 Cl22 N4 O12 Pt4 -","2","1","","Emmanuel Anger; Mark Rudolph; Chengshuo Shen; Nicolas Vanthuyne; Loïc Toupet; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","From Hetero- to Homochiral Bis(metallahelicene)s Based on a PtIII-PtIII Bonded Scaffold: Isomerization, Structure, and Chiroptical Properties","Journal of the American Chemical Society","2011","133","","3800","3803","10.1021/ja200129y","","","0.71069","MoKα","","0.0771","0.0434","","","0.1077","0.1391","","","","","","1.143","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105798","9.5249","0.0002","20.4922","0.0004","26.6299","0.0005","90","","90","","90","","5197.79","0.18","140","2","140","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H24 Cl3 N O2 Pt S -","- C27 H24 Cl3 N O2 Pt S -","- C216 H192 Cl24 N8 O16 Pt8 S8 -","8","1","","Emmanuel Anger; Mark Rudolph; Chengshuo Shen; Nicolas Vanthuyne; Loïc Toupet; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","From Hetero- to Homochiral Bis(metallahelicene)s Based on a PtIII-PtIII Bonded Scaffold: Isomerization, Structure, and Chiroptical Properties","Journal of the American Chemical Society","2011","133","","3800","3803","10.1021/ja200129y","","","0.71073","MoKα","","0.0556","0.035","","","0.069","0.0787","","","","","","1.078","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105799","9.9777","0.001","20.156","0.002","11.0109","0.0011","90","","92.311","0.002","90","","2212.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N6 O3 -","- C10 H12 N6 O3 -","- C80 H96 N48 O24 -","8","2","","Powner, Matthew W.; Sutherland, John D.; Szostak, Jack W.","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2011","133","11","4149","4150","10.1021/ja2002023","","","0.71073","MoKα","","0.0817","0.0446","","","0.0975","0.1163","","","","","","1.013","","","","has coordinates","210884","2020-10-21","18:00:00",""
"4105800","7.0578","0.0002","7.96","0.0002","12.8899","0.0003","72.221","0.001","77.298","0.001","65.396","0.001","623.35","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Cl N6 O3 -","- C10 H13 Cl N6 O3 -","- C20 H26 Cl2 N12 O6 -","2","1","","Powner, Matthew W.; Sutherland, John D.; Szostak, Jack W.","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2011","133","11","4149","4150","10.1021/ja2002023","","","0.71073","MoKα","","0.0339","0.0306","","","0.0784","0.0804","","","","","","1.038","","","","has coordinates","210884","2020-10-21","18:00:00",""
"4105801","17.9685","0.0004","11.7323","0.0003","14.7031","0.0003","90","","106.506","0.001","90","","2971.85","0.12","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 F2 N O3 P2 Pd -","- C28 H42 F2 N O3 P2 Pd -","- C112 H168 F8 N4 O12 P8 Pd4 -","4","1","","Rafael Huacuja; Daniel J. Graham; Claudia M. Fafard; Chun-Hsing Chen; Bruce M. Foxman; David E. Herbert; Glen Alliger; Christine M. Thomas; Oleg V. Ozerov","Reactivity of a Pd(I)-Pd(I) Dimer with O2: Monohapto Pd Superoxide and Dipalladium Peroxide in Equilibrium","Journal of the American Chemical Society","2011","133","","3820","3823","10.1021/ja200346a","","","0.71073","MoKα","","0.0356","0.0258","","0.0733","0.0641","0.0733","","","","","","1.0055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105802","21.58","0.02","20.65","0.02","13.762","0.014","90","","125.419","0.01","90","","4998","8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 F2 N O P2 Pd -","- C24 H34 F2 N O P2 Pd -","- C192 H272 F16 N8 O8 P16 Pd8 -","8","1","","Rafael Huacuja; Daniel J. Graham; Claudia M. Fafard; Chun-Hsing Chen; Bruce M. Foxman; David E. Herbert; Glen Alliger; Christine M. Thomas; Oleg V. Ozerov","Reactivity of a Pd(I)-Pd(I) Dimer with O2: Monohapto Pd Superoxide and Dipalladium Peroxide in Equilibrium","Journal of the American Chemical Society","2011","133","","3820","3823","10.1021/ja200346a","","","0.71073","MoKα","","0.1011","0.0971","","","0.2273","0.2289","","","","","","1.314","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105803","21.8201","0.0019","12.0518","0.0011","22.574","0.002","90","","113.39","0.001","90","","5448.5","0.8","30","2","30","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H67 B Fe N7 P -","- C67 H67 B Fe N7 P -","- C268 H268 B4 Fe4 N28 P4 -","4","1","","Jeremiah J. Scepaniak; T. David Harris; Carola S. Vogel; Jörg Sutter; Karsten Meyer; Jeremy M. Smith","Spin Crossover in a Four-Coordinate Iron(II) Complex","Journal of the American Chemical Society","2011","133","","3824","3827","10.1021/ja2003473","","","0.71073","MoKα","","0.0631","0.0471","","","0.1198","0.1302","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105804","21.9674","0.0016","12.1412","0.0009","22.4515","0.0016","90","","112.585","0.001","90","","5528.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H67 B Fe N7 P -","- C67 H67 B Fe N7 P -","- C268 H268 B4 Fe4 N28 P4 -","4","1","","Jeremiah J. Scepaniak; T. David Harris; Carola S. Vogel; Jörg Sutter; Karsten Meyer; Jeremy M. Smith","Spin Crossover in a Four-Coordinate Iron(II) Complex","Journal of the American Chemical Society","2011","133","","3824","3827","10.1021/ja2003473","","","0.71073","MoKα","","0.0696","0.0477","","","0.1267","0.1418","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105805","22.1128","0.0013","12.1722","0.0007","22.5193","0.0013","90","","112.615","0.001","90","","5595.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H67 B Fe N7 P -","- C67 H67 B Fe N7 P -","- C268 H268 B4 Fe4 N28 P4 -","4","1","","Jeremiah J. Scepaniak; T. David Harris; Carola S. Vogel; Jörg Sutter; Karsten Meyer; Jeremy M. Smith","Spin Crossover in a Four-Coordinate Iron(II) Complex","Journal of the American Chemical Society","2011","133","","3824","3827","10.1021/ja2003473","","","0.71073","MoKα","","0.0695","0.0469","","","0.1225","0.1376","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105806","8.6569","0.0003","23.2021","0.0008","14.5399","0.0005","90","","106.911","0.002","90","","2794.17","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 Cl Ni P2 -","- C30 H41 Cl Ni P2 -","- C120 H164 Cl4 Ni4 P8 -","4","1","","Sibo Lin; Michael W. Day; Theodor Agapie","Nickel Hydrides Supported by a Non-Innocent Diphosphine Arene Pincer: Mechanistic Studies of Nickel-Arene H-Migration and Partial Arene Hydrogenation","Journal of the American Chemical Society","2011","133","","3828","3831","10.1021/ja200368y","","","0.71073","MoKα","","0.0397","0.0302","","","0.0476","0.0482","","","","","","1.759","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105807","10.9521","0.0004","16.7037","0.0007","17.0594","0.0007","90","","106.816","0.002","90","","2987.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Cl2 Ni2 P2 -","- C30 H42 Cl2 Ni2 P2 -","- C120 H168 Cl8 Ni8 P8 -","4","1","","Sibo Lin; Michael W. Day; Theodor Agapie","Nickel Hydrides Supported by a Non-Innocent Diphosphine Arene Pincer: Mechanistic Studies of Nickel-Arene H-Migration and Partial Arene Hydrogenation","Journal of the American Chemical Society","2011","133","","3828","3831","10.1021/ja200368y","","","0.71073","MoKα","","0.0395","0.0268","","","0.0426","0.0432","","","","","","1.552","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105808","27.7671","0.0012","12.6722","0.0006","20.3587","0.0009","90","","112.212","0.002","90","","6632","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42.5 F3 N0.5 Ni O3 P2 S -","- C32 H42.5 F3 N0.5 Ni O3 P2 S -","- C256 H340 F24 N4 Ni8 O24 P16 S8 -","8","2","","Sibo Lin; Michael W. Day; Theodor Agapie","Nickel Hydrides Supported by a Non-Innocent Diphosphine Arene Pincer: Mechanistic Studies of Nickel-Arene H-Migration and Partial Arene Hydrogenation","Journal of the American Chemical Society","2011","133","","3828","3831","10.1021/ja200368y","","","0.71073","MoKα","","0.1199","0.1001","","","0.0925","0.0934","","","","","","2.908","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4105809","18.8883","0.0008","18.2168","0.0008","19.5092","0.0008","90","","116.405","0.002","90","","6012.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H53 B F24 Ni P2 -","- C62 H53 B F24 Ni P2 -","- C248 H212 B4 F96 Ni4 P8 -","4","1","","Sibo Lin; Michael W. Day; Theodor Agapie","Nickel Hydrides Supported by a Non-Innocent Diphosphine Arene Pincer: Mechanistic Studies of Nickel-Arene H-Migration and Partial Arene Hydrogenation","Journal of the American Chemical Society","2011","133","","3828","3831","10.1021/ja200368y","","","0.71073","MoKα","","0.0911","0.0479","","","0.0568","0.0586","","","","","","1.7","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4105810","11.4076","0.0002","15.005","0.0002","12.8787","0.0002","90","","102.091","0.002","90","","2155.56","0.06","293","","293","","","","","","","","","7","P 1 n 1","P -2yac","7","","Sc{BN2Ar2C2H2}(CH2SiMe3)2(THF)","","- C38 H66 B N2 O Sc Si2 -","- C38 H66 B N2 O Sc Si2 -","- C76 H132 B2 N4 O2 Sc2 Si4 -","2","1","","Liban M. A. Saleh; Krishna Hassomal Birjkumar; Andrey V. Protchenko; Andrew D. Schwarz; Simon Aldridge; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford","Group 3 and Lanthanide Boryl Compounds: Syntheses, Structures, and Bonding Analyses of Sc-B, Y-B, and Lu-B σ-Coordinated NHC Analogues","Journal of the American Chemical Society","2011","133","","3836","3839","10.1021/ja2007092","","","0.71073","MoKα","","0.0714","0.0518","","0.0625","0.0531","0.051","","","","","","1.1107","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105811","21.3465","0.0003","10.3553","0.0002","23.5353","0.0004","90","","113.89","0.001","90","","4756.74","0.14","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Y{BN2Ar2C2H2}(CH2SiMe3)2(THF)2","","- C42 H74 B N2 O2 Si2 Y -","- C42 H74 B N2 O2 Si2 Y -","- C168 H296 B4 N8 O8 Si8 Y4 -","4","1","","Liban M. A. Saleh; Krishna Hassomal Birjkumar; Andrey V. Protchenko; Andrew D. Schwarz; Simon Aldridge; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford","Group 3 and Lanthanide Boryl Compounds: Syntheses, Structures, and Bonding Analyses of Sc-B, Y-B, and Lu-B σ-Coordinated NHC Analogues","Journal of the American Chemical Society","2011","133","","3836","3839","10.1021/ja2007092","","","0.71073","MoKα","","0.1203","0.092","","0.102","0.0809","0.0781","","","","","","1.1096","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105812","10.3787","0.0003","18.8034","0.0004","12.3583","0.0003","90","","102.152","0.002","90","","2357.74","0.1","293","","293","","","","","","","","","7","P 1 21 1","P 2yb","4","","Lu{BN2Ar2C2H2}(CH2SiMe3)2(THF)2","","- C42 H74 B Lu N2 O2 Si2 -","- C42 H74 B Lu N2 O2 Si2 -","- C84 H148 B2 Lu2 N4 O4 Si4 -","2","1","","Liban M. A. Saleh; Krishna Hassomal Birjkumar; Andrey V. Protchenko; Andrew D. Schwarz; Simon Aldridge; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford","Group 3 and Lanthanide Boryl Compounds: Syntheses, Structures, and Bonding Analyses of Sc-B, Y-B, and Lu-B σ-Coordinated NHC Analogues","Journal of the American Chemical Society","2011","133","","3836","3839","10.1021/ja2007092","","","1.54184","CuKα","","0.0631","0.0586","","0.0733","0.0688","0.0662","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105813","16.838","0.003","11.026","0.002","22.41","0.005","90","","90","","90","","4160.5","1.4","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H33 N3 O11 Zn2 -","- C42 H24 N3 O11 Zn2 -","- C168 H96 N12 O44 Zn8 -","4","0.5","","Sanhita Pramanik; Chong Zheng; Xiao Zhang; Thomas J. Emge; Jing Li","New Microporous Metal-Organic Framework Demonstrating Unique Selectivity for Detection of High Explosives and Aromatic Compounds","Journal of the American Chemical Society","2011","133","","4153","4155","10.1021/ja106851d","","","0.71073","MoKα","","0.1134","0.0626","","","0.1835","0.2265","","","","","","1.065","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105814","6.0402","0.0012","8.902","0.0018","18.078","0.004","90.7","0.03","92.98","0.03","99.81","0.03","956.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O -","- C24 H21 N O -","- C48 H42 N2 O2 -","2","1","","Zhenhua Zhang; Yiyang Liu; Lin Ling; Yuxue Li; Yian Dong; Mingxing Gong; Xiaokun Zhao; Yan Zhang; Jianbo Wang","Pd-Catalyzed Carbonylation of Diazo Compounds at Atmospheric Pressure: A Catalytic Approach to Ketenes","Journal of the American Chemical Society","2011","133","","4330","4341","10.1021/ja107351d","","","0.71073","MoKα","","0.146","0.0536","","","0.1147","0.1232","","","","","","1.023","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105815","26.589","0.007","31.767","0.008","13.739","0.003","90","","90","","90","","11605","5","291","2","291","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C36 H24 Cu4 I2 N18 S4 W -","- C36 H24 Cu4 I2 N18 S4 W -","- C288 H192 Cu32 I16 N144 S32 W8 -","8","0.5","","Zhen-Zhong Lu; Rui Zhang; Yi-Zhi Li; Zi-Jian Guo; He-Gen Zheng","Solvatochromic Behavior of a Nanotubular Metal-Organic Framework for Sensing Small Molecules","Journal of the American Chemical Society","2011","133","","4172","4174","10.1021/ja109437d","","","0.71073","MoKα","","0.0729","0.049","","","0.1223","0.1298","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105816","26.86","0.006","31.492","0.007","13.905","0.005","90","","90","","90","","11762","6","291","2","291","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C36 H24 Cu4 I2 N18 S4 W -","- C36 H24 Cu4 I2 N18 S4 W -","- C288 H192 Cu32 I16 N144 S32 W8 -","8","0.5","","Zhen-Zhong Lu; Rui Zhang; Yi-Zhi Li; Zi-Jian Guo; He-Gen Zheng","Solvatochromic Behavior of a Nanotubular Metal-Organic Framework for Sensing Small Molecules","Journal of the American Chemical Society","2011","133","","4172","4174","10.1021/ja109437d","","","0.71073","MoKα","","0.0839","0.0636","","","0.1581","0.1676","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105817","30.7887","0.0008","30.7887","0.0008","30.7887","0.0008","90","","90","","90","","29186","1.3","296","2","296","2","","","","","","","","8","F m -3 m","-F 4 2 3","225","","","","- C576 H192 Cl24 Cu96 N24 O556 P4 W48 -","- C576 H192 Cl24 Cu96 N24 O556 P4 W48 -","- C576 H192 Cl24 Cu96 N24 O556 P4 W48 -","1","0.00520833","","Feng-Ji Ma; Shu-Xia Liu; Chun-Yan Sun; Da-Dong Liang; Guo-Jian Ren; Feng Wei; Ya-Guang Chen; Zhong-Min Su","A Sodalite-Type Porous Metal-Organic Framework with Polyoxometalate Templates: Adsorption and Decomposition of Dimethyl Methylphosphonate","Journal of the American Chemical Society","2011","133","","4178","4181","10.1021/ja109659k","","","0.71073","MoKα","","0.0428","0.039","","","0.1289","0.1323","","","","","","1.013","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105818","12.7826","0.0003","15.4624","0.0003","20.46","0.0004","90","","91.789","0.001","90","","4041.94","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 Fe O P3 Si -","- C43 H60 Fe O P3 Si -","- C172 H240 Fe4 O4 P12 Si4 -","4","1","","Yunho Lee; Jonas C. Peters","Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne","Journal of the American Chemical Society","2011","133","","4438","4446","10.1021/ja109678y","","","1.54178","CuKα","","0.0288","0.0273","","","0.0706","0.0716","","","","","","1.044","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105819","17.9012","0.0007","17.9012","0.0007","13.0887","0.001","90","","90","","120","","3632.4","0.3","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C49 H78 Fe Na O4 P3 Si -","- C49 H78 Fe Na O4 P3 Si -","- C147 H234 Fe3 Na3 O12 P9 Si3 -","3","0.333333","","Yunho Lee; Jonas C. Peters","Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne","Journal of the American Chemical Society","2011","133","","4438","4446","10.1021/ja109678y","","","0.71073","MoKα","","0.0295","0.0272","","","0.0635","0.0649","","","","","","1.033","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105820","11.0922","0.0004","17.9941","0.001","20.9965","0.0009","90","","94.549","0.002","90","","4177.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H63 Fe O P3 Si2 -","- C40 H63 Fe O P3 Si2 -","- C160 H252 Fe4 O4 P12 Si8 -","4","1","","Yunho Lee; Jonas C. Peters","Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne","Journal of the American Chemical Society","2011","133","","4438","4446","10.1021/ja109678y","","","1.54178","CuKα","","0.0407","0.0316","","","0.0758","0.0815","","","","","","0.982","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105821","12.9938","0.0003","38.3547","0.0008","14.3803","0.0003","90","","92.432","0.001","90","","7160.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H66 B F24 Fe O P3 Si -","- C69 H66 B F24 Fe O P3 Si -","- C276 H264 B4 F96 Fe4 O4 P12 Si4 -","4","1","","Yunho Lee; Jonas C. Peters","Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne","Journal of the American Chemical Society","2011","133","","4438","4446","10.1021/ja109678y","","","1.54178","CuKα","","0.052","0.0481","","","0.1097","0.1117","","","","","","1.126","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105822","12.7131","0.0002","16.3092","0.0003","19.1176","0.0004","106.247","0.001","100.47","0.001","100.089","0.001","3633.37","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H65 B Cl F24 Fe P3 Si -","- C70.5 H72 B Cl F24.02 Fe P3 Si -","- C141 H144 B2 Cl2 F48.04 Fe2 P6 Si2 -","2","1","","Yunho Lee; Jonas C. Peters","Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne","Journal of the American Chemical Society","2011","133","","4438","4446","10.1021/ja109678y","","","1.54178","CuKα","","0.0394","0.039","","","0.1101","0.1105","","","","","","0.857","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105823","8.817","0.004","21.151","0.009","10.788","0.004","90","","95.286","0.007","90","","2003.3","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(mu-phenylamido)bis(tetrahydrofuran) bis[bis(trimethylsilyl)amido]dimanganese(II)","","- C32 H64 Mn2 N4 O2 Si4 -","- C32 H64 Mn2 N4 O2 Si4 -","- C64 H128 Mn4 N8 O4 Si8 -","2","0.5","","Clifton R. Hamilton; Regina A. Baglia; Alexander D. Gordon; Michael J. Zdilla","Synthesis of Tetranuclear, Four-Coordinate Manganese Clusters with ""Pinned Butterfly"" Geometry Formed by Metal-Mediated N-N Bond Cleavage in Diphenylhydrazine","Journal of the American Chemical Society","2011","133","","4208","4211","10.1021/ja110536t","","","0.71073","MoKα","","0.0294","0.024","","","0.0614","0.0644","","","","","","1.049","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105824","25.781","0.007","12.04","0.004","21.765","0.006","90","","118.509","0.017","90","","5937","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(mu-3-N,N'-diphenylhydrazido)N,N'diphenylhydrazidobis(mu-phenylamido) tetrakis(tetrahydrofuran)tetramanganese(II)","","- C64 H74 Mn4 N8 O4 -","- C64 H74 Mn4 N8 O4 -","- C256 H296 Mn16 N32 O16 -","4","0.5","","Clifton R. Hamilton; Regina A. Baglia; Alexander D. Gordon; Michael J. Zdilla","Synthesis of Tetranuclear, Four-Coordinate Manganese Clusters with ""Pinned Butterfly"" Geometry Formed by Metal-Mediated N-N Bond Cleavage in Diphenylhydrazine","Journal of the American Chemical Society","2011","133","","4208","4211","10.1021/ja110536t","","","0.71073","MoKα","","0.0435","0.0314","","","0.0748","0.079","","","","","","0.965","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105825","22.764","0.003","14.0803","0.0016","24.148","0.003","90","","109.392","0.002","90","","7300.9","1.6","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(mu-3-N,N'-diphenylhydrazido)N,N'diphenylhydrazidobis(mu-phenylamido) tetrapyridinetetramanganese(II)","","- C83 H77 Mn4 N15 -","- C83 H77 Mn4 N15 -","- C332 H308 Mn16 N60 -","4","1","","Clifton R. Hamilton; Regina A. Baglia; Alexander D. Gordon; Michael J. Zdilla","Synthesis of Tetranuclear, Four-Coordinate Manganese Clusters with ""Pinned Butterfly"" Geometry Formed by Metal-Mediated N-N Bond Cleavage in Diphenylhydrazine","Journal of the American Chemical Society","2011","133","","4208","4211","10.1021/ja110536t","","","0.71073","MoKα","","0.0709","0.0401","","","0.0898","0.102","","","","","","1.017","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105826","13.8679","0.0019","12.1188","0.0016","18.512","0.003","90","","97.116","0.002","90","","3087.2","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","manganese bis(tms-amide) bis(THF)","bis(tetrahydrofuran)bis[bis(trimethylsilylamido)]manganese(II)","","- C20 H52 Mn N2 O2 Si4 -","- C20 H52 Mn N2 O2 Si4 -","- C80 H208 Mn4 N8 O8 Si16 -","4","1","","Clifton R. Hamilton; Regina A. Baglia; Alexander D. Gordon; Michael J. Zdilla","Synthesis of Tetranuclear, Four-Coordinate Manganese Clusters with ""Pinned Butterfly"" Geometry Formed by Metal-Mediated N-N Bond Cleavage in Diphenylhydrazine","Journal of the American Chemical Society","2011","133","","4208","4211","10.1021/ja110536t","","","0.71073","MoKα","","0.0458","0.0333","","","0.0926","0.097","","","","","","1.031","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105827","18.8354","0.0004","26.6616","0.0005","30.5877","0.0006","90","","92.929","0.001","90","","15340.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C124 H140 Cl3 F12 N8 O32 P2 S8 -","- C124 H140 Cl3 F12 N8 O32 P2 S8 -","- C496 H560 Cl12 F48 N32 O128 P8 S32 -","4","1","","Ali Coskun; Jason M. Spruell; Gokhan Barin; Albert C. Fahrenbach; Ross S. Forgan; Michael T. Colvin; Raanan Carmieli; Diego Benítez; Ekaterina Tkatchouk; Douglas C. Friedman; Amy A. Sarjeant; Michael R. Wasielewski; William A. Goddard; J. Fraser Stoddart","Mechanically Stabilized Tetrathiafulvalene Radical Dimers","Journal of the American Chemical Society","2011","133","","4538","4547","10.1021/ja110584c","","","1.54178","CuKα","","0.1265","0.0909","","","0.2571","0.2856","","","","","","0.98","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105828","12.7199","0.0011","7.2298","0.0007","18.0394","0.0017","90","","99.098","0.002","90","","1638.1","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 B2 -","- C24 H18 B2 -","- C96 H72 B8 -","4","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.0747","0.0521","","","0.115","0.1289","","","","","","1.049","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105829","9.0283","0.0009","11.5995","0.0011","12.015","0.0012","77.043","0.008","68.701","0.008","85.064","0.008","1142.5","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 B2 -","- C30 H28 B2 -","- C60 H56 B4 -","2","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.0702","0.048","","","0.1145","0.1236","","","","","","0.946","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105830","14.8385","0.0016","5.8312","0.0006","17.7349","0.0017","90","","106.659","0.008","90","","1470.1","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 B -","- C18 H19 B -","- C72 H76 B4 -","4","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.1037","0.0804","","","0.238","0.2485","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105831","21.5133","0.0018","14.074","0.0013","19.1807","0.0015","90","","93.461","0.007","90","","5796.9","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 B2 N2 -","- C37 H31 B2 N2 -","- C296 H248 B16 N16 -","8","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.1304","0.0606","","","0.0931","0.1123","","","","","","0.929","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105832","12.8597","0.0007","13.1616","0.0007","14.4382","0.0008","84.743","0.002","78.404","0.001","78.524","0.001","2342.6","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C63 H51.25 B4.75 -","- C63 H51.25 B4.75 -","- C126 H102.5 B9.5 -","2","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.114","0.0715","","","0.1698","0.1914","","","","","","1.083","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105833","21.413","0.002","15.0677","0.0017","15.0115","0.0016","90","","104.776","0.003","90","","4683.2","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C63 H55 B6 -","- C63 H55 B6 -","- C252 H220 B24 -","4","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.1314","0.1057","","","0.2792","0.2989","","","","","","1.077","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105834","12.2935","0.0003","21.9361","0.0007","14.0308","0.0005","90","","102.427","0.001","90","","3695.1","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H27 B F15 P -","- C44 H27 B F15 P -","- C176 H108 B4 F60 P4 -","4","1","","Olga Ekkert; Gerald Kehr; Roland Fröhlich; Gerhard Erker","P-C Bond Activation Chemistry: Evidence for 1,1-Carboboration Reactions Proceeding with Phosphorus-Carbon Bond Cleavage","Journal of the American Chemical Society","2011","133","","4610","4616","10.1021/ja1110283","","","1.54178","CuKα","","0.0489","0.044","","","0.1198","0.1239","","","","","","1.053","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105835","9.5993","0.0005","11.3438","0.0008","15.428","0.0015","87.124","0.005","89.616","0.004","70.239","0.003","1579","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H17 B F15 P -","- C35 H17 B F15 P -","- C70 H34 B2 F30 P2 -","2","1","","Olga Ekkert; Gerald Kehr; Roland Fröhlich; Gerhard Erker","P-C Bond Activation Chemistry: Evidence for 1,1-Carboboration Reactions Proceeding with Phosphorus-Carbon Bond Cleavage","Journal of the American Chemical Society","2011","133","","4610","4616","10.1021/ja1110283","","","1.54178","CuKα","","0.0688","0.0489","","","0.1088","0.1228","","","","","","1.064","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105836","9.7976","0.0002","10.846","0.0004","21.187","0.0007","95.231","0.002","102.492","0.002","104.305","0.002","2104.94","0.12","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H22 B Cl2 F15 P2 -","- C45 H22 B Cl2 F15 P2 -","- C90 H44 B2 Cl4 F30 P4 -","2","1","","Olga Ekkert; Gerald Kehr; Roland Fröhlich; Gerhard Erker","P-C Bond Activation Chemistry: Evidence for 1,1-Carboboration Reactions Proceeding with Phosphorus-Carbon Bond Cleavage","Journal of the American Chemical Society","2011","133","","4610","4616","10.1021/ja1110283","","","1.54178","CuKα","","0.1257","0.0769","","","0.1866","0.2242","","","","","","1.038","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105837","10.4606","0.0004","13.1363","0.0005","16.4911","0.0007","91.614","0.002","103.553","0.002","95.609","0.003","2189.39","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H28 B F15 P2 -","- C51 H28 B F15 P2 -","- C102 H56 B2 F30 P4 -","2","1","","Olga Ekkert; Gerald Kehr; Roland Fröhlich; Gerhard Erker","P-C Bond Activation Chemistry: Evidence for 1,1-Carboboration Reactions Proceeding with Phosphorus-Carbon Bond Cleavage","Journal of the American Chemical Society","2011","133","","4610","4616","10.1021/ja1110283","","","1.54178","CuKα","","0.0537","0.0503","","","0.1389","0.1423","","","","","","1.037","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105838","13.799","0.003","14.187","0.003","14.323","0.003","90","","90","","90","","2804","1","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga Pr4 S9 Sb -","- Ga Pr4 S9 Sb -","- Ga8 Pr32 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0204","0.018","","","0.0335","0.0417","","","","","","1.127","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105839","13.759","0.005","14.113","0.005","14.3","0.005","90","","90","","90","","2776.8","1.7","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga Nd4 S9 Sb -","- Ga Nd4 S9 Sb -","- Ga8 Nd32 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0194","0.0165","","","0.0381","0.0693","","","","","","1.228","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105840","13.64","0.003","13.983","0.003","14.166","0.003","90","","90","","90","","2701.9","1","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga S9 Sb Sm4 -","- Ga S9 Sb Sm4 -","- Ga8 S72 Sb8 Sm32 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0411","0.0367","","","0.0857","0.1338","","","","","","1.091","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105841","13.5733","0.0016","13.8956","0.0018","14.0982","0.0019","90","","90","","90","","2659","0.6","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga Gd4 S9 Sb -","- Ga Gd4 S9 Sb -","- Ga8 Gd32 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0128","0.0114","","","0.0265","0.0596","","","","","","1.307","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105842","13.53","0.005","13.85","0.005","14.05","0.005","90","","90","","90","","2632.8","1.7","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga S9 Sb Tb4 -","- Ga S9 Sb Tb4 -","- Ga8 S72 Sb8 Tb32 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.036","0.0329","","","0.0694","0.0722","","","","","","1.044","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105843","13.4762","0.0014","13.8105","0.0011","14.0109","0.0016","90","","90","","90","","2607.6","0.5","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Dy4 Ga S9 Sb -","- Dy4 Ga S9 Sb -","- Dy32 Ga8 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0274","0.0255","","","0.0509","0.052","","","","","","1","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105844","13.427","0.005","13.756","0.005","13.954","0.005","90","","90","","90","","2577.3","1.6","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga Ho4 S9 Sb -","- Ga Ho4 S9 Sb -","- Ga8 Ho32 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0322","0.0305","","","0.0634","0.0645","","","","","","1.015","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105845","18.4918","0.0014","26.861","0.002","41.776","0.003","90","","90","","90","","20750","3","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C40 H0 N7 O10 Ru0.5 Zn2 -","- C40.066 N7.006 O10 Ru0.499 Zn2 -","- C320.528 N56.048 O80 Ru3.992 Zn16 -","8","1","","Cheng Wang; Wenbin Lin","Diffusion-Controlled Luminescence Quenching in Metal-Organic Frameworks","Journal of the American Chemical Society","2011","133","","4232","4235","10.1021/ja111197d","","","1.54178","CuKα","","0.188","0.1472","","","0.3545","0.3907","","","","","","1.268","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105846","10.635","0.011","14.068","0.015","11.104","0.012","90","","100.694","0.013","90","","1632","3","93.1","","93.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Cl N2 Ru -","- C16 H23 Cl N2 Ru -","- C64 H92 Cl4 N8 Ru4 -","4","1","","Masato Ito; Takashi Ootsuka; Ryo Watari; Akira Shiibashi; Akio Himizu; Takao Ikariya","Catalytic Hydrogenation of Carboxamides and Esters by Well-Defined Cp*Ru Complexes Bearing a Protic Amine Ligand","Journal of the American Chemical Society","2011","133","","4240","4242","10.1021/ja1117254","","","0.7107","MoKα","","","0.0688","","","","0.2026","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105847","12.251","0.004","18.924","0.006","13.226","0.005","90","","115.098","0.012","90","","2776.8","1.7","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H63 B2 N7 O2 -","- C72 H63 B2 N7 O2 -","- C144 H126 B4 N14 O4 -","2","1","","Shin-ya Hayashi; Eiji Tsurumaki; Yasuhide Inokuma; Pyosang Kim; Young Mo Sung; Dongho Kim; Atsuhiro Osuka","Synthesis and Properties of Boron(III)-Coordinated Subbacteriochlorins","Journal of the American Chemical Society","2011","133","","4254","4256","10.1021/ja200669a","","","0.71075","MoKα","","0.1045","0.0631","","","0.1613","0.184","","","","","","1.016","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105848","9.0021","0.001","11.5914","0.0015","19.505","0.003","95.568","0.004","90.19","0.004","105.958","0.004","1946.7","0.4","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C42 H45 O0.5 P2 Si2 -","- C42 H45 O0.5 P2 Si2 -","- C84 H90 O P4 Si4 -","2","1","","Pauline Gualco; Abderrahmane Amgoune; Karinne Miqueu; Sonia Ladeira; Didier Bourissou","A Crystalline σ Complex of Copper","Journal of the American Chemical Society","2011","133","","4257","4259","10.1021/ja200789z","","x-ray","0.71073","MoKα","","0.0781","0.0514","","","0.1175","0.1299","","","","","","1.036","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105849","11.3864","0.0003","13.1062","0.0003","16.1426","0.0004","74.488","0.002","82.906","0.002","75.135","0.002","2239.67","0.1","193","2","193","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C41 H42 Cl6 Cu Ga P2 Si2 -","- C41 H42 Cl6 Cu Ga P2 Si2 -","- C82 H84 Cl12 Cu2 Ga2 P4 Si4 -","2","1","","Pauline Gualco; Abderrahmane Amgoune; Karinne Miqueu; Sonia Ladeira; Didier Bourissou","A Crystalline σ Complex of Copper","Journal of the American Chemical Society","2011","133","","4257","4259","10.1021/ja200789z","","x-ray","0.71073","MoKα","","0.1098","0.0498","","","0.0977","0.1177","","","","","","0.981","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105850","12.8111","0.001","13.1996","0.0011","15.216","0.0012","85.074","0.003","77.905","0.003","67.032","0.003","2316.4","0.3","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C41.5 H43 Ag Cl7 Ga P2 Si2 -","- C41.5 H43 Ag Cl7 Ga P2 Si2 -","- C83 H86 Ag2 Cl14 Ga2 P4 Si4 -","2","1","","Pauline Gualco; Abderrahmane Amgoune; Karinne Miqueu; Sonia Ladeira; Didier Bourissou","A Crystalline σ Complex of Copper","Journal of the American Chemical Society","2011","133","","4257","4259","10.1021/ja200789z","","x-ray","0.71073","MoKα","","0.0538","0.0419","","","0.1035","0.1107","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105851","6.716","0.004","10.752","0.006","26.541","0.014","90","","90","","90","","1916.5","1.9","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl2 N O Pt -","- C17 H25 Cl2 N O Pt -","- C68 H100 Cl8 N4 O4 Pt4 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.073","","","","0.1602","","","","","","1.135","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105852","14.2661","0.0005","15.0088","0.0005","15.1843","0.0005","91.591","0.002","99.021","0.002","115.438","0.002","2883.16","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H41 Cl Fe N2 O -","- C30 H41 Cl Fe N2 O -","- C120 H164 Cl4 Fe4 N8 O4 -","4","2","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MoKα","","0.0692","0.0425","","","0.1029","0.1154","","","","","","1.018","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105853","14.497","0.003","16.196","0.003","18.331","0.003","90","","106.605","0.003","90","","4124.5","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H65 Cl Fe N2 O2 -","- C46 H65 Cl Fe N2 O2 -","- C184 H260 Cl4 Fe4 N8 O8 -","4","1","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MoKα","","0.1005","0.0525","","","0.1202","0.1471","","","","","","1.008","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105854","12.535","0.0005","13.6512","0.0006","20.425","0.0008","75.509","0.002","85.664","0.002","65.022","0.002","3065.6","0.2","100","2","99.84","","","","","","","","","3","P -1","-P 1","2","(ArDpme)H","5-mesityl-1,9-di(2,4,6-triphenylphenyl)dipyrromethene","","- C84 H68 N2 -","- C84 H68 N2 -","- C168 H136 N4 -","2","1","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MOKα","","0.0564","0.0426","","","0.1042","0.1138","","","","","","1.022","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105855","15.84","0.005","21.273","0.007","19.136","0.009","90","","108.066","0.005","90","","6130","4","100","2","99.83","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(ArDpme)FeCl","5-mesityl-1,9-di(2,4,6-triphenylphenyl)dipyrromethenato iron(II) chloride","","- C81.31 H64.31 Cl Fe N2 -","- C81.312 H64.312 Cl Fe N2 -","- C325.248 H257.248 Cl4 Fe4 N8 -","4","0.5","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MOKα","","0.2403","0.0859","","","0.2152","0.3056","","","","","","1","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105856","14.4691","0.0012","21.4975","0.0018","23.56","0.002","94.342","0.001","93.778","0.001","102.927","0.001","7096.2","1","273","2","273","","","","","","","","","5","P -1","-P 1","2","((ArDpme)FeCl(NC6H5))2","bis(5-mesityl-1,9-di(2,4,6-triphenylphenyl)dipyrromethenato) diiron(III) dichloride mu-(N-imidocyclohexa-2,5-dien-1-yl)anilide","","- C168 H132 Cl2 Fe2 N6 -","- C168 H132 Cl2 Fe2 N6 -","- C336 H264 Cl4 Fe4 N12 -","2","1","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MOKα","","0.1253","0.0563","","","0.1267","0.1449","","","","","","0.878","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105857","21.0117","0.001","12.2392","0.0006","25.0442","0.0012","90","","91.18","0.001","90","","6439.2","0.5","99.86","","99.86","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(ArDpme)FeCl(NC6H4tBu)","5-mesityl-1,9-di(2,4,6-triphenylphenyl)dipyrromethenato iron(III) chloride 4-tert-butylphenylimido radical","","- C81 H74 Cl Fe N3 -","- C81 H74 Cl Fe N3 -","- C324 H296 Cl4 Fe4 N12 -","4","1","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MOKα","","0.0645","0.0423","","","0.0954","0.1074","","","","","","1.041","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105858","7.8804","0.0004","10.097","0.0005","18.4834","0.001","90","","95.244","0.004","90","","1464.54","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H27 Cl N2 O6 -","- C35 H27 Cl N2 O6 -","- C70 H54 Cl2 N4 O12 -","2","1","","Bin Tan; Nuno R. Candeias; Carlos F. Barbas","Core-Structure-Motivated Design of a Phosphine-Catalyzed [3 + 2] Cycloaddition Reaction: Enantioselective Syntheses of Spirocyclopenteneoxindoles","Journal of the American Chemical Society","2011","133","","4672","4675","10.1021/ja110147w","","","1.54178","CuKα","","0.0417","0.0345","","","0.0803","0.0845","","","","","","1.01","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105859","9.4","0.0018","10.1544","0.0019","30.775","0.006","90","","90","","90","","2937.5","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Cl N O7 -","- C30 H32 Cl N O7 -","- C120 H128 Cl4 N4 O28 -","4","1","","Bin Tan; Nuno R. Candeias; Carlos F. Barbas","Core-Structure-Motivated Design of a Phosphine-Catalyzed [3 + 2] Cycloaddition Reaction: Enantioselective Syntheses of Spirocyclopenteneoxindoles","Journal of the American Chemical Society","2011","133","","4672","4675","10.1021/ja110147w","","","0.71073","MoKα","","0.0359","0.0323","","","0.0755","0.0781","","","","","","1.04","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105860","10.8142","0.001","11.3685","0.0011","16.6972","0.0015","80.403","0.007","76.877","0.008","89.887","0.01","1969.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.53 H50.53 B2 I0.07 N12 U -","- C36.531 H50.531 B2 I0.067 N12 U -","- C73.062 H101.062 B4 I0.134 N24 U2 -","2","1","","Ellen M. Matson; William P. Forrest; Phillip E. Fanwick; Suzanne C. Bart","Functionalization of Carbon Dioxide and Carbon Disulfide Using a Stable Uranium(III) Alkyl Complex","Journal of the American Chemical Society","2011","133","","4948","4954","10.1021/ja110158s","","","1.54184","CU-Kα","","0.08","0.072","","","0.186","0.193","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105861","10.5432","0.0004","22.3645","0.0008","19.0939","0.0006","90","","92.703","0.002","90","","4497.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 B2 N12 O3 U -","- C42 H59 B2 N12 O3 U -","- C168 H236 B8 N48 O12 U4 -","4","1","","Ellen M. Matson; William P. Forrest; Phillip E. Fanwick; Suzanne C. Bart","Functionalization of Carbon Dioxide and Carbon Disulfide Using a Stable Uranium(III) Alkyl Complex","Journal of the American Chemical Society","2011","133","","4948","4954","10.1021/ja110158s","","","1.54184","CU-Kα","","0.066","0.061","","","0.164","0.171","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105862","18.311","0.002","12.1533","0.0014","20.892","0.003","90","","103.439","0.001","90","","4522","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H55 Fe N4 Si2 Y -","- C48 H55 Fe N4 Si2 Y -","- C192 H220 Fe4 N16 Si8 Y4 -","4","1","","Bryan N. Williams; Diego Benitez; Kevin L. Miller; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","An Unusual Hydrogen Migration/C-H Activation Reaction with Group 3 Metals","Journal of the American Chemical Society","2011","133","","4680","4683","10.1021/ja110505r","","","0.71073","MoKα","","0.0698","0.0429","","","0.0954","0.1061","","","","","","1.016","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105863","25.084","0.002","17.1073","0.0015","28.101","0.003","90","","110.8","0.001","90","","11272.8","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C116 H172 Fe2 N6 O4 Si4 Y2 -","- C116 H172 Fe2 N6 O4 Si4 Y2 -","- C464 H688 Fe8 N24 O16 Si16 Y8 -","4","1","","Bryan N. Williams; Diego Benitez; Kevin L. Miller; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","An Unusual Hydrogen Migration/C-H Activation Reaction with Group 3 Metals","Journal of the American Chemical Society","2011","133","","4680","4683","10.1021/ja110505r","","","0.71073","MoKα","","0.104","0.053","","","0.1107","0.1284","","","","","","1.008","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105864","18.664","0.004","21.774","0.004","18.892","0.004","90","","107.578","0.003","90","","7319","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C67 H112 Fe2 Lu2 N8 O Si4 -","- C67 H112 Fe2 Lu2 N8 O Si4 -","- C268 H448 Fe8 Lu8 N32 O4 Si16 -","4","0.5","","Bryan N. Williams; Diego Benitez; Kevin L. Miller; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","An Unusual Hydrogen Migration/C-H Activation Reaction with Group 3 Metals","Journal of the American Chemical Society","2011","133","","4680","4683","10.1021/ja110505r","","","0.71073","MoKα","","0.1185","0.0734","","","0.1402","0.1576","","","","","","1.128","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105865","13.5833","0.0005","15.993","0.0005","21.7485","0.0008","88.083","0.003","81.99","0.003","72.782","0.003","4468.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- H87 Na13 O90 P10 Pd15 -","- Na12.1 O89.25 P10 Pd15 -","- Na24.2 O178.5 P20 Pd30 -","2","1","","Feng Xu; Rachel A. Scullion; Jun Yan; Haralampos N. Miras; Christoph Busche; Antonino Scandurra; Bruno Pignataro; De-Liang Long; Leroy Cronin","A Supramolecular Heteropolyoxopalladate {Pd15} Cluster Host Encapsulating a {Pd2} Dinuclear Guest: [PdII2@{H7PdII15O10(PO4)10}]9-","Journal of the American Chemical Society","2011","133","","4684","4686","10.1021/ja1105514","","","1.54184","CuKα","","0.0759","0.0502","","","0.1246","0.1389","","","","","","1.016","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105866","14.91","0.0002","14.9327","0.0003","23.0483","0.0004","87.27","0.002","82.755","0.002","73.821","0.002","4888.62","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- H87 Na9 O90 P10 Pd17 -","- Na8.75 O90 P10 Pd17 -","- Na17.5 O180 P20 Pd34 -","2","1","","Feng Xu; Rachel A. Scullion; Jun Yan; Haralampos N. Miras; Christoph Busche; Antonino Scandurra; Bruno Pignataro; De-Liang Long; Leroy Cronin","A Supramolecular Heteropolyoxopalladate {Pd15} Cluster Host Encapsulating a {Pd2} Dinuclear Guest: [PdII2@{H7PdII15O10(PO4)10}]9-","Journal of the American Chemical Society","2011","133","","4684","4686","10.1021/ja1105514","","","1.54184","CuKα","","0.037","0.0319","","","0.0883","0.0916","","","","","","1.036","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105867","7.79779","0.00006","7.79779","","15.96933","0.00017","90","","90","","120","","840.931","0.011","298","","298","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- Al B5 H38 Li2 N6 -","- Al B5 H38 Li2 N6 -","- Al2 B10 H76 Li4 N12 -","2","0.166667","","Yanhui Guo; Hui Wu; Wei Zhou; Xuebin Yu","Dehydrogenation Tuning of Ammine Borohydrides Using Double-Metal Cations","Journal of the American Chemical Society","2011","133","","4690","4693","10.1021/ja1105893","powder diffraction","x-ray","1.2372","synchrotron","","","","","","","","0.0601","","1.795","","","","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105868","9.5175","0.0014","5.8072","0.0008","16.988","0.002","90","","90.954","0.002","90","","938.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DPh-NDT4","DPh-NDT4","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","0.5","","Shoji Shinamura; Itaru Osaka; Eigo Miyazaki; Akiko Nakao; Masakazu Yamagishi; Jun Takeya; Kazuo Takimiya","Linear- and Angular-Shaped Naphthodithiophenes: Selective Synthesis, Properties, and Application to Organic Field-Effect Transistors","Journal of the American Chemical Society","2011","133","","5024","5035","10.1021/ja110973m","","","0.7107","MoKα","","0.0707","0.0531","","","0.1408","0.1727","","","","","","0.81","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105869","6.334","0.002","7.462","0.005","19.516","0.002","90","","93.06","0.03","90","","921.1","0.7","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","DPh-BTBT","DPh-BTBT","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","0.5","","Shoji Shinamura; Itaru Osaka; Eigo Miyazaki; Akiko Nakao; Masakazu Yamagishi; Jun Takeya; Kazuo Takimiya","Linear- and Angular-Shaped Naphthodithiophenes: Selective Synthesis, Properties, and Application to Organic Field-Effect Transistors","Journal of the American Chemical Society","2011","133","","5024","5035","10.1021/ja110973m","","","1","synchrotron","","0.1064","0.0843","","","0.2231","0.2377","","","","","","1.011","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105870","5.922","0.01","7.595","0.012","40.63","0.07","90","","93.753","0.006","90","","1824","5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","DPh-NDT1","DPh-NDT1","","- C26 H16 S2 -","- C27 H16 S1.62 -","- C108 H64 S6.48 -","4","1","","Shoji Shinamura; Itaru Osaka; Eigo Miyazaki; Akiko Nakao; Masakazu Yamagishi; Jun Takeya; Kazuo Takimiya","Linear- and Angular-Shaped Naphthodithiophenes: Selective Synthesis, Properties, and Application to Organic Field-Effect Transistors","Journal of the American Chemical Society","2011","133","","5024","5035","10.1021/ja110973m","","","0.7107","MoKα","","0.1334","0.0949","","","0.266","0.3005","","","","","","1.116","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105871","7.6089","0.0005","11.0529","0.0008","15.906","0.0011","90","","90","","90","","1337.7","0.16","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N3 O2 S -","- C15 H13 N O2 S -","- C60 H52 N4 O8 S4 -","4","1","","Benjamin J. Stokes; Sheng Liu; Tom G. Driver","Rh2(II)-Catalyzed Nitro-Group Migration Reactions: Selective Synthesis of 3-Nitroindoles from β-Nitro Styryl Azides","Journal of the American Chemical Society","2011","133","","4702","4705","10.1021/ja111060q","","","0.71073","MoKα","","0.0386","0.0358","","","0.0959","0.0976","","","","","","1.028","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105872","10.9831","0.0003","12.3901","0.0002","23.3125","0.0004","90","","90","","90","","3172.4","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 N5 O9 -","- C31 H35 N5 O9 -","- C124 H140 N20 O36 -","4","1","","Zhi-Jun Jia; Hao Jiang; Jun-Long Li; Björn Gschwend; Qing-Zhu Li; Xiang Yin; Julie Grouleff; Ying-Chun Chen; Karl Anker Jørgensen","Trienamines in Asymmetric Organocatalysis: Diels-Alder and Tandem Reactions","Journal of the American Chemical Society","2011","133","","5053","5061","10.1021/ja1112194","","","1.54184","CuKα","","0.0505","0.0472","","","0.128","0.131","","","","","","1.059","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105873","9.2525","0.0004","7.5766","0.0003","11.1876","0.0004","90","","103.735","0.002","90","","761.85","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C36 H44 O4 -","2","1","","Jørn H. Hansen; Timothy M. Gregg; Stephanie R. Ovalles; Yajing Lian; Jochen Autschbach; Huw M. L. Davies","On the Mechanism and Selectivity of the Combined C-H Activation/Cope Rearrangement","Journal of the American Chemical Society","2011","133","","5076","5085","10.1021/ja111408v","","","1.54178","CuKα","","0.0294","0.0292","","","0.0761","0.0762","","","","","","1.057","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105874","5.9374","0.0004","8.0353","0.0005","28.7626","0.0019","90","","90","","90","","1372.23","0.16","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C64 H60 Br4 O8 -","4","1","","Jørn H. Hansen; Timothy M. Gregg; Stephanie R. Ovalles; Yajing Lian; Jochen Autschbach; Huw M. L. Davies","On the Mechanism and Selectivity of the Combined C-H Activation/Cope Rearrangement","Journal of the American Chemical Society","2011","133","","5076","5085","10.1021/ja111408v","","","0.71073","MoKα","","0.0465","0.0337","","","0.0594","0.0629","","","","","","0.927","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105875","8.99","0.0008","15.464","0.0015","19.013","0.0019","89.362","0.005","87.15","0.005","84.547","0.005","2627.9","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","[(t-Bu2MeSi)4Ge4]Fe(CO)3","","- C39 H84 Fe Ge4 O3 Si4 -","- C39 H84 Fe Ge4 O3 Si4 -","- C78 H168 Fe2 Ge8 O6 Si8 -","2","1","","Vladimir Ya. Lee; Yuki Ito; Hiroyuki Yasuda; Kazunori Takanashi; Akira Sekiguchi","From Tetragermacyclobutene to Tetragermacyclobutadiene Dianion to Tetragermacyclobutadiene Transition Metal Complexes","Journal of the American Chemical Society","2011","133","","5103","5108","10.1021/ja111596g","","","0.7107","MoKα","","0.1082","0.0586","","","0.1391","0.1666","","","","","","0.954","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105876","19.3738","0.0008","15.928","0.0006","17.0381","0.0007","90","","90","","90","","5257.7","0.4","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C41 H89 Co Ge4 Si4 -","- C41 H89 Co Ge4 Si4 -","- C164 H356 Co4 Ge16 Si16 -","4","0.5","","Vladimir Ya. Lee; Yuki Ito; Hiroyuki Yasuda; Kazunori Takanashi; Akira Sekiguchi","From Tetragermacyclobutene to Tetragermacyclobutadiene Dianion to Tetragermacyclobutadiene Transition Metal Complexes","Journal of the American Chemical Society","2011","133","","5103","5108","10.1021/ja111596g","","","0.71073","MoKα","","0.0326","0.0223","","","0.0511","0.0548","","","","","","1.042","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105877","41.297","0.0009","15.666","0.0007","17.271","0.0007","90","","112.773","0.002","90","","10302.6","0.7","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dichlorotetragermetene","","- C36 H84 Cl2 Ge4 Si4 -","- C36 H84 Cl2 Ge4 Si4 -","- C288 H672 Cl16 Ge32 Si32 -","8","1","","Vladimir Ya. Lee; Yuki Ito; Hiroyuki Yasuda; Kazunori Takanashi; Akira Sekiguchi","From Tetragermacyclobutene to Tetragermacyclobutadiene Dianion to Tetragermacyclobutadiene Transition Metal Complexes","Journal of the American Chemical Society","2011","133","","5103","5108","10.1021/ja111596g","","","0.7107","MoKα","","0.0613","0.0432","","","0.1108","0.1203","","","","","","0.997","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105878","10.0066","0.0005","11.3661","0.0006","12.8556","0.0009","62.181","0.002","77.287","0.002","70.1211","0.0014","1212.79","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 N2 O2 Si -","- C33 H22 N2 O2 Si -","- C66 H44 N4 O4 Si2 -","2","1","","Naoya Sakamoto; Chusaku Ikeda; Masaki Yamamura; Tatsuya Nabeshima","Structural Interconversion and Regulation of Optical Properties of Stable Hypercoordinate Dipyrrin-Silicon Complexes","Journal of the American Chemical Society","2011","133","","4726","4729","10.1021/ja2001924","","","0.71075","MoKα","","0.0807","0.0627","","","0.1492","0.1564","","","","","","1.101","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105879","10.6726","0.0012","10.9105","0.0009","11.2603","0.0012","65.661","0.002","76.871","0.003","87.781","0.003","1161.2","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 N2 O2.5 Si -","- C30 H23 N2 O2.5 Si -","- C60 H46 N4 O5 Si2 -","2","1","","Naoya Sakamoto; Chusaku Ikeda; Masaki Yamamura; Tatsuya Nabeshima","Structural Interconversion and Regulation of Optical Properties of Stable Hypercoordinate Dipyrrin-Silicon Complexes","Journal of the American Chemical Society","2011","133","","4726","4729","10.1021/ja2001924","","","0.71075","MoKα","","0.0893","0.0562","","","0.1392","0.1617","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105880","10.346","0.002","12.941","0.002","11.634","0.0017","90","","90","","90","","1557.6","0.4","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H22 Er -","- C18 H22 Er -","- C72 H88 Er4 -","4","0.5","","Shang-Da Jiang; Bing-Wu Wang; Hao-Ling Sun; Zhe-Ming Wang; Song Gao","An Organometallic Single-Ion Magnet","Journal of the American Chemical Society","2011","133","","4730","4733","10.1021/ja200198v","","","0.71073","MoKα","","0.025","0.0235","","","0.0607","0.0616","","","","","","1.112","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105881","10.3701","0.0007","12.8625","0.001","11.5956","0.0007","90","","90","","90","","1546.68","0.18","20","2","20","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Er -","- C18 H23 Er -","- C72 H92 Er4 -","4","0.5","","Shang-Da Jiang; Bing-Wu Wang; Hao-Ling Sun; Zhe-Ming Wang; Song Gao","An Organometallic Single-Ion Magnet","Journal of the American Chemical Society","2011","133","","4730","4733","10.1021/ja200198v","","","0.71073","MoKα","","0.0621","0.0522","","","0.1237","0.1292","","","","","","1.081","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105882","10.1588","0.0007","12.8965","0.001","11.7144","0.0008","90","","90","","90","","1534.74","0.19","10","2","10","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Er -","- C18 H23 Er -","- C72 H92 Er4 -","4","0.5","","Shang-Da Jiang; Bing-Wu Wang; Hao-Ling Sun; Zhe-Ming Wang; Song Gao","An Organometallic Single-Ion Magnet","Journal of the American Chemical Society","2011","133","","4730","4733","10.1021/ja200198v","","","0.71073","MoKα","","0.0696","0.0561","","","0.1354","0.1431","","","","","","1.082","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105883","5.8881","0.0002","12.0278","0.0003","24.8051","0.0007","90","","90","","90","","1756.72","0.09","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br N2 O -","- C22 H17 Br N2 O -","- C88 H68 Br4 N8 O4 -","4","1","","Kevin M. Oberg; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [4 + 2] Cycloaddition of α,β-Unsaturated Imines and Isocyanates","Journal of the American Chemical Society","2011","133","","4785","4787","10.1021/ja200766k","","","0.71073","MoKα","","0.0869","0.0497","","","0.1249","0.1933","","","","","","1.143","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105884","6.3135","0.0004","10.2813","0.001","13.8719","0.001","76.283","0.007","85.876","0.006","77.838","0.007","854.9","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C36 H48 N4 O4 -","2","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0887","0.0427","","","0.0812","0.0891","","","","","","0.83","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105885","14.5171","0.0009","11.6682","0.0008","12.0141","0.0008","90","","98.276","0.007","90","","2013.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C92 H104 N8 O8 -","4","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0734","0.0351","","","0.0634","0.068","","","","","","0.806","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105886","31.5413","0.0005","5.4905","0.0001","25.8592","0.0004","90","","110.793","0.0008","90","","4186.55","0.12","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 F3 N O2 S -","- C23 H26 F3 N O2 S -","- C184 H208 F24 N8 O16 S8 -","8","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0516","0.0383","","","0.0876","0.0938","","","","","","1.088","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105887","5.4884","0.0002","11.8978","0.0008","14.2002","0.0007","77.357","0.005","86.323","0.004","87.651","0.004","902.58","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C40 H44 N4 O4 S2 -","2","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0646","0.0371","","","0.0797","0.0847","","","","","","0.886","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105888","22.4013","0.0009","14.5197","0.0005","15.9116","0.0007","90","","116.267","0.0019","90","","4641","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 F3 N2 O2 S -","- C26 H23 F3 N2 O2 S -","- C208 H184 F24 N16 O16 S8 -","8","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0757","0.0448","","","0.0959","0.1096","","","","","","1.009","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105889","22.3664","0.0008","14.5275","0.0006","15.9004","0.0005","90","","116.21","0.0018","90","","4635.3","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 F3 N2 O2 S -","- C26 H23 F3 N2 O2 S -","- C208 H184 F24 N16 O16 S8 -","8","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0916","0.0484","","","0.1124","0.1319","","","","","","1.037","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105890","7.4047","0.0006","9.5212","0.0009","13.7988","0.0011","88.074","0.007","76.203","0.007","87.599","0.007","943.66","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C40 H44 N4 O4 S2 -","2","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.1365","0.0539","","","0.1011","0.1174","","","","","","0.831","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105891","10.1552","0.0005","11.7039","0.0005","16.2918","0.0008","90","","98.366","0.004","90","","1915.76","0.16","243","2","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 F3 N O2 S -","- C20 H22 F3 N O2 S -","- C80 H88 F12 N4 O8 S4 -","4","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0622","0.0368","","","0.079","0.084","","","","","","0.881","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105892","6.5385","0.0003","11.894","0.0006","19.4196","0.0009","90","","90","","90","","1510.24","0.12","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C76 H80 O8 -","4","1","","Jennifer A. Dabrowski; Fang Gao; Amir H. Hoveyda","Enantioselective Synthesis of Alkyne-Substituted Quaternary Carbon Stereogenic Centers through NHC-Cu-Catalyzed Allylic Substitution Reactions with (i-Bu)2(Alkynyl)aluminum Reagents","Journal of the American Chemical Society","2011","133","","4778","4781","10.1021/ja2010829","","","1.54178","CuKα","","0.0278","0.0271","","","0.0719","0.0726","","","","","","1.056","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105893","7.0396","0.0007","6.0088","0.0007","27.483","0.003","90","","91.773","0.006","90","","1162","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 Br O2 -","- C13 H11 Br O2 -","- C52 H44 Br4 O8 -","4","2","","Jennifer A. Dabrowski; Fang Gao; Amir H. Hoveyda","Enantioselective Synthesis of Alkyne-Substituted Quaternary Carbon Stereogenic Centers through NHC-Cu-Catalyzed Allylic Substitution Reactions with (i-Bu)2(Alkynyl)aluminum Reagents","Journal of the American Chemical Society","2011","133","","4778","4781","10.1021/ja2010829","","","0.71073","MoKα","","0.0669","0.045","","","0.0769","0.0823","","","","","","1.04","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105894","13.1544","0.0009","13.1544","0.0009","12.0402","0.0008","90","","90","","90","","2083.4","0.2","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C12 H28 Cl2 Cu8 N48 O11 -","- C12 H8 Cl2 Cu8 N48 O11 -","- C24 H16 Cl4 Cu16 N96 O22 -","2","0.125","","Xian-Ming Zhang; Jin Lv; Fang Ji; Hai-Shun Wu; Haijun Jiao; Paul V. R. Schleyer","A Perfectly Square-Planar Tetracoordinated Oxygen in a Tetracopper Cluster-Based Coordination Polymer","Journal of the American Chemical Society","2011","133","","4788","4790","10.1021/ja201525a","","","0.71073","MoKα","","0.0663","0.0632","","","0.1727","0.1752","","","","","","1.115","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105895","10.4807","0.0005","10.5015","0.0005","11.4678","0.0005","64.937","0.002","66.519","0.002","79.936","0.002","1048.63","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Dy2 N8 O14 -","- C40 H46 Dy2 N8 O14 -","- C40 H46 Dy2 N8 O14 -","1","0.5","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.0155","0.0145","","","0.0354","0.0358","","","","","","1.072","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105896","10.5977","0.0005","10.642","0.0005","11.5192","0.0006","65.341","0.002","64.813","0.002","80.419","0.002","1068.32","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Eu2 N8 O14 -","- C40 H46 Eu2 N8 O14 -","- C40 H46 Eu2 N8 O14 -","1","0.5","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.0194","0.0181","","","0.044","0.0447","","","","","","1.058","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105897","10.5766","0.0005","10.5991","0.0005","11.5192","0.0005","65.184","0.001","65.482","0.001","80.293","0.001","1066.38","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Gd N4 O7 -","- C20 H23 Gd N4 O7 -","- C40 H46 Gd2 N8 O14 -","2","1","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.022","0.0215","","","0.0531","0.0534","","","","","","1.012","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105898","10.533","0.0007","10.5394","0.0009","11.5002","0.0009","66.484","0.004","65.036","0.004","79.837","0.004","1061.21","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Ho2 N8 O14 -","- C40 H46 Ho2 N8 O14 -","- C40 H46 Ho2 N8 O14 -","1","0.5","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.0198","0.0191","","","0.0503","0.0508","","","","","","1.037","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105899","10.5536","0.0003","10.5537","0.0003","11.4994","0.0003","66.171","0.001","65.016","0.001","80.009","0.001","1061.98","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 N8 O14 Tb2 -","- C40 H46 N8 O14 Tb2 -","- C40 H46 N8 O14 Tb2 -","1","0.5","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.0215","0.0206","","","0.0538","0.0542","","","","","","1.063","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105900","10.5104","0.0004","10.5297","0.0004","11.4828","0.0004","66.414","0.002","65.126","0.001","79.981","0.002","1056.59","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Ho2 N8 O14 -","- C40 H46 Ho2 N8 O14 -","- C40 H46 Ho2 N8 O14 -","1","0.5","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.0131","0.013","","","0.0346","0.0347","","","","","","1.057","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105901","11.2618","0.0004","16.3286","0.0005","30.5547","0.001","90","","100.351","0.002","90","","5527.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H42 Gd N7 O14 -","- C17 H29.5 Gd N7 O14 -","- C136 H236 Gd8 N56 O112 -","8","2","","Daniel J. Mastarone; Victoria S. R. Harrison; Amanda L. Eckermann; Giacomo Parigi; Claudio Luchinat; Thomas J. Meade","A Modular System for the Synthesis of Multiplexed Magnetic Resonance Probes","Journal of the American Chemical Society","2011","133","","5329","5337","10.1021/ja1099616","","","0.71073","MoKα","","0.0673","0.0616","","","0.1666","0.1684","","","","","","1.841","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105902","14.76","0.005","10.519","0.003","17.152","0.006","90","","97.265","0.005","90","","2641.6","1.5","107.1","","107.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H32 F16 N4 O8 Ru2 -","- C54 H32 F16 N4 O8 Ru2 -","- C108 H64 F32 N8 O16 Ru4 -","2","0.5","","Hitoshi Miyasaka; Natsuko Motokawa; Tamiko Chiyo; Miho Takemura; Masahiro Yamashita; Hajime Sagayama; Taka-hisa Arima","Stepwise Neutral-Ionic Phase Transitions in a Covalently Bonded Donor/Acceptor Chain Compound","Journal of the American Chemical Society","2011","133","","5338","5345","10.1021/ja110007u","","","0.71075","MoKα","","","0.0527","","","","0.1195","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105903","14.803","0.002","21.2201","0.0004","20.4174","0.0009","121.201","0.002","96.222","0.01","90.121","0.004","5440.7","0.8","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H32 F16 N4 O8 Ru2 -","- C54 F16 N4 O8 Ru2 -","- C216 F64 N16 O32 Ru8 -","4","2","","Hitoshi Miyasaka; Natsuko Motokawa; Tamiko Chiyo; Miho Takemura; Masahiro Yamashita; Hajime Sagayama; Taka-hisa Arima","Stepwise Neutral-Ionic Phase Transitions in a Covalently Bonded Donor/Acceptor Chain Compound","Journal of the American Chemical Society","2011","133","","5338","5345","10.1021/ja110007u","","","0.6885","","","0.0663","0.0381","","","0.0943","0.1177","","","","","","0.87","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105904","10.3611","0.0011","11.5566","0.0013","13.457","0.002","96.926","0.006","106.836","0.006","116.529","0.004","1319.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H42 N2 Si2 Ti -","- C25 H42 N2 Si2 Ti -","- C50 H84 N4 Si4 Ti2 -","2","1","","Katharina Kaleta; Martin Ruhmann; Oliver Theilmann; Torsten Beweries; Subhendu Roy; Perdita Arndt; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Group 4 Metallocene Alkyne Complexes with Carbodiimides: Experimental and Theoretical Studies of the Structure and Bonding of Five-Membered Hetero-Metallacycloallenes","Journal of the American Chemical Society","2011","133","","5463","5473","10.1021/ja111479j","","","0.71073","MoKα","","0.1002","0.0504","","","0.0956","0.1076","","","","","","0.989","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105905","10.4688","0.0003","12.266","0.0004","13.3377","0.0004","78.808","0.001","85.741","0.001","69.627","0.001","1574.99","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H50 N2 Si2 Zr -","- C31 H50 N2 Si2 Zr -","- C62 H100 N4 Si4 Zr2 -","2","1","","Katharina Kaleta; Martin Ruhmann; Oliver Theilmann; Torsten Beweries; Subhendu Roy; Perdita Arndt; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Group 4 Metallocene Alkyne Complexes with Carbodiimides: Experimental and Theoretical Studies of the Structure and Bonding of Five-Membered Hetero-Metallacycloallenes","Journal of the American Chemical Society","2011","133","","5463","5473","10.1021/ja111479j","","","0.71073","MoKα","","0.0344","0.0278","","","0.0705","0.0731","","","","","","1.047","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105906","16.8952","0.0006","31.7271","0.0009","11.7933","0.0003","90","","90","","90","","6321.6","0.3","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33 H42 N2 Si2 Zr -","- C33 H42 N2 Si2 Zr -","- C264 H336 N16 Si16 Zr8 -","8","1","","Katharina Kaleta; Martin Ruhmann; Oliver Theilmann; Torsten Beweries; Subhendu Roy; Perdita Arndt; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Group 4 Metallocene Alkyne Complexes with Carbodiimides: Experimental and Theoretical Studies of the Structure and Bonding of Five-Membered Hetero-Metallacycloallenes","Journal of the American Chemical Society","2011","133","","5463","5473","10.1021/ja111479j","","","0.71073","MoKα","","0.0484","0.0255","","","0.0506","0.0535","","","","","","0.825","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105907","8.104","0.0006","10.3858","0.0007","12.3515","0.0009","94.436","0.003","94.238","0.003","103.346","0.003","1003.96","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H48 N4 Ti2 -","- C50 H48 N4 Ti2 -","- C50 H48 N4 Ti2 -","1","0.5","","Katharina Kaleta; Martin Ruhmann; Oliver Theilmann; Torsten Beweries; Subhendu Roy; Perdita Arndt; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Group 4 Metallocene Alkyne Complexes with Carbodiimides: Experimental and Theoretical Studies of the Structure and Bonding of Five-Membered Hetero-Metallacycloallenes","Journal of the American Chemical Society","2011","133","","5463","5473","10.1021/ja111479j","","","0.71073","MoKα","","0.1279","0.0536","","","0.1146","0.1328","","","","","","0.907","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105908","13.2972","0.0007","13.2921","0.0007","17.5488","0.0009","90","","102.863","0.003","90","","3023.9","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Hg-pyrenyl-phosphoramid-AuCl","toste29","","- C69 H56 Au Cl3 N O2 P -","- C69 H56 Au Cl3 N O2 P -","- C138 H112 Au2 Cl6 N2 O4 P2 -","2","1","","Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste","Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines","Journal of the American Chemical Society","2011","133","","5500","5507","10.1021/ja200084a","","","1.54178","CuKα","","0.0437","0.0418","","","0.1263","0.128","","","","","","1.151","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105909","8.5886","0.0003","18.2238","0.0006","16.121","0.0005","90","","95.129","0.002","90","","2513.11","0.14","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","AG04-169","toste31","","- C68 H54 Au Cl N O2 P -","- C68 H54 Au Cl N O2 P -","- C136 H108 Au2 Cl2 N2 O4 P2 -","2","1","","Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste","Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines","Journal of the American Chemical Society","2011","133","","5500","5507","10.1021/ja200084a","","","1.54184","CuKα","","0.0226","0.0216","","","0.052","0.0525","","","","","","1.019","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105910","8.3457","0.0005","20.6561","0.0012","44.304","0.002","90","","90","","90","","7637.5","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","AG05-28","toste32","","- C84 H57 Au Cl F12 N O2 P -","- C84 H57 Au Cl F12 N O2 P -","- C336 H228 Au4 Cl4 F48 N4 O8 P4 -","4","1","","Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste","Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines","Journal of the American Chemical Society","2011","133","","5500","5507","10.1021/ja200084a","","","1.54178","CuKα","","0.133","0.113","","","0.2939","0.3096","","","","","","1.078","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105911","10.4997","0.0008","8.3483","0.0006","11.8012","0.0007","90","","91.036","0.005","90","","1034.26","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","AG04-186H","toste30","","- C22 H25 N O4 S -","- C22 H25 N O4 S -","- C44 H50 N2 O8 S2 -","2","1","","Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste","Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines","Journal of the American Chemical Society","2011","133","","5500","5507","10.1021/ja200084a","","","1.54178","CuKα","","0.0763","0.0624","","","0.1567","0.1679","","","","","","1.031","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105912","8.4998","0.0006","7.2826","0.0005","27.425","0.003","90","","90","","90","","1697.6","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H2 I2 K O9 V -","- H2 I2 K O9 V -","- H16 I16 K8 O72 V8 -","8","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.023","0.0217","","","0.0444","0.045","","","","","","1.205","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105913","5.8083","0.0014","8.793","0.002","16.785","0.004","90","","90","","90","","857.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H2 I2 K O9 V -","- H2 I2 K O9 V -","- H8 I8 K4 O36 V4 -","4","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.0308","0.0302","","","0.0716","0.0723","","","","","","1.061","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105914","7.43","0.002","7.801","0.003","16.053","0.006","97.207","0.003","99.73","0.006","91.882","0.005","908.4","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- H7 I11 K4 O38 V2 -","- H7 I11 K4 O38 V2 -","- H7 I11 K4 O38 V2 -","1","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.0309","0.0272","","","0.0532","0.0543","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105915","14.136","0.003","10.201","0.0017","8.0638","0.0011","90","","90","","90","","1162.8","0.4","293","2","293","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- I3 K O13 V2 -","- I3 K O13 V2 -","- I12 K4 O52 V8 -","4","0.5","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.0456","0.0443","","","0.105","0.1057","","","","","","1.133","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105916","10.4988","0.0003","16.2306","0.0006","16.2841","0.0003","90","","90.008","0.002","90","","2774.84","0.14","100","2","100","2","","","","","","","","7","P 1 2/m 1","-P 2y","10","","","","- C51 H34 Br2 N2 O8 Si Zn2 -","- C51 H34 Br2 N2 O8 Si Zn2 -","- C51 H34 Br2 N2 O8 Si Zn2 -","1","0.25","","Chang Yeon Lee; Youn-Sang Bae; Nak Cheon Jeong; Omar K. Farha; Amy A. Sarjeant; Charlotte L. Stern; Peter Nickias; Randall Q. Snurr; Joseph T. Hupp; SonBinh T. Nguyen","Kinetic Separation of Propene and Propane in Metal-Organic Frameworks: Controlling Diffusion Rates in Plate-Shaped Crystals via Tuning of Pore Apertures and Crystallite Aspect Ratios","Journal of the American Chemical Society","2011","133","","5228","5231","10.1021/ja200553m","","","1.54178","CuKα","","0.1241","0.0997","","","0.2622","0.2737","","","","","","1.798","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105917","11.106","0.002","15.916","0.002","16.224","0.003","90","","101.594","0.015","90","","2809.3","0.8","100","2","100","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C16.5 H10.5 Br0.5 N2 O3.5 Zn0.5 -","- C12 H6 Br0.5 N0.5 O2 Zn0.5 -","- C48 H24 Br2 N2 O8 Zn2 -","4","1","","Chang Yeon Lee; Youn-Sang Bae; Nak Cheon Jeong; Omar K. Farha; Amy A. Sarjeant; Charlotte L. Stern; Peter Nickias; Randall Q. Snurr; Joseph T. Hupp; SonBinh T. Nguyen","Kinetic Separation of Propene and Propane in Metal-Organic Frameworks: Controlling Diffusion Rates in Plate-Shaped Crystals via Tuning of Pore Apertures and Crystallite Aspect Ratios","Journal of the American Chemical Society","2011","133","","5228","5231","10.1021/ja200553m","","","1.54178","CuKα","","0.1312","0.08","","","0.1897","0.2098","","","","","","0.854","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105918","11.2539","0.0019","15.772","0.002","16.175","0.003","90","","98.771","0.014","90","","2837.4","0.8","100","2","100","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C48 H27 N2 O8 Zn2 -","- C48 H26 N2 O8 Zn2 -","- C48 H26 N2 O8 Zn2 -","1","0.25","","Chang Yeon Lee; Youn-Sang Bae; Nak Cheon Jeong; Omar K. Farha; Amy A. Sarjeant; Charlotte L. Stern; Peter Nickias; Randall Q. Snurr; Joseph T. Hupp; SonBinh T. Nguyen","Kinetic Separation of Propene and Propane in Metal-Organic Frameworks: Controlling Diffusion Rates in Plate-Shaped Crystals via Tuning of Pore Apertures and Crystallite Aspect Ratios","Journal of the American Chemical Society","2011","133","","5228","5231","10.1021/ja200553m","","","1.54178","CuKα","","0.1142","0.0819","","","0.202","0.2178","","","","","","0.928","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105919","13.2256","0.0007","13.4893","0.0007","15.221","0.0008","90","","90","","90","","2715.5","0.2","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Bi N2 O2 -","- C28 H37 Bi N2 O2 -","- C112 H148 Bi4 N8 O8 -","4","1","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0152","0.0146","","","0.0356","0.0358","","","","","","1.026","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105920","53.677","0.003","10.8825","0.0006","39.936","0.003","90","","130.678","0.001","90","","17691.8","1.9","143","2","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H53 Bi N2 O2 -","- C36 H53 Bi N2 O2 -","- C720 H1060 Bi20 N40 O40 -","20","2.5","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0302","0.0226","","","0.0487","0.0507","","","","","","1.022","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105921","10.1403","0.0006","14.399","0.0008","18.6374","0.001","98.9882","0.0006","96.4784","0.0006","90.1828","0.0006","2670.1","0.3","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H40.5 Bi N2.5 O -","- C27 H40.5 Bi N2.5 O -","- C108 H162 Bi4 N10 O4 -","4","2","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0183","0.0165","","","0.0392","0.0399","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105922","18.0313","0.0014","10.084","0.0008","16.5021","0.0013","90","","90","","90","","3000.5","0.4","143","2","143","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H45 Bi N2 O -","- C32 H45 Bi N2 O -","- C128 H180 Bi4 N8 O4 -","4","1","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0263","0.0199","","","0.0441","0.046","","","","","","0.977","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105923","10.8059","0.0007","13.1895","0.0009","17.5277","0.0017","98.213","0.001","92.668","0.001","113.565","0.001","2251.5","0.3","138","2","138","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H60 B Bi N2 O -","- C50 H60 B Bi N2 O -","- C100 H120 B2 Bi2 N4 O2 -","2","1","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0271","0.0235","","","0.0581","0.0596","","","","","","1.051","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105924","11.3693","0.0007","29.7135","0.0019","13.0038","0.0008","90","","114.79","0.0007","90","","3988.2","0.4","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H65 Bi N2 O2 -","- C42 H65 Bi N2 O2 -","- C168 H260 Bi4 N8 O8 -","4","1","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0508","0.0373","","","0.0823","0.0855","","","","","","1.113","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105925","28.8523","0.0015","17.1852","0.0009","15.6207","0.0008","90","","90","","90","","7745.3","0.7","110","2","110","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42.24 H42.1 Cl2.14 Ir N2 O5.62 S -","- C42.24 H42.1 Cl2.14 Ir N2 O5.62 S -","- C337.92 H336.8 Cl17.12 Ir8 N16 O44.96 S8 -","8","1","","Amedeo Santoro; Anton M. Prokhorov; Valery N. Kozhevnikov; Adrian C. Whitwood; Bertrand Donnio; J. A. Gareth Williams; Duncan W. Bruce","Emissive Metallomesogens Based on 2-Phenylpyridine Complexes of Iridium(III)","Journal of the American Chemical Society","2011","133","","5248","5251","10.1021/ja201245s","","","0.71073","MoKα","","0.0487","0.0278","","","0.0649","0.0756","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105926","15.687","0.004","20.31","0.005","25.983","0.007","95.152","0.004","92.776","0.004","106.6","0.004","7877","4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H47.5 K Mn N7 O4.5 -","- C26.25 H45.25 K Mn N7 O4.5 -","- C210 H362 K8 Mn8 N56 O36 -","8","4","","Ryan L. Shook; Sonja M. Peterson; John Greaves; Curtis Moore; Arnold L. Rheingold; A. S. Borovik","Catalytic Reduction of Dioxygen to Water with a Monomeric Manganese Complex at Room Temperature","Journal of the American Chemical Society","2011","133","","5810","5817","10.1021/ja106564a","","","0.71073","MoKα","","0.1318","0.0918","","","0.258","0.2771","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105927","4.752","0.0004","13.15","0.0004","15.353","0.0011","90","","90","","90","","959.39","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","apsph","","","- C10 H6 O S3 -","- C10 H6 O S3 -","- C40 H24 O4 S12 -","4","1","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","0.71073","MoKα","","0.0512","0.0402","","","0.089","0.0935","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105928","9.1363","0.0004","9.4337","0.0005","10.8331","0.0005","99.464","0.003","108.734","0.002","92.962","0.003","866.72","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O S3 -","- C18 H22 O S3 -","- C36 H44 O2 S6 -","2","1","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","1.54178","CuKα","","0.0682","0.049","","","0.1217","0.1739","","","","","","1.209","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105929","10.1383","0.0018","6.9855","0.0013","17.52","0.003","90","","95.936","0.009","90","","1234.1","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O3 S3 -","- C12 H10 O3 S3 -","- C48 H40 O12 S12 -","4","1","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","1.54178","CuKα","","0.1807","0.157","","","0.3872","0.3997","","","","","","1.421","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105930","12.4427","0.0006","9.9312","0.0005","7.3694","0.0004","90","","93.499","0.003","90","","908.95","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N O2 S2 -","- C10 H5 N O2 S2 -","- C40 H20 N4 O8 S8 -","4","1","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","1.54178","CuKα","","0.0422","0.0325","","","0.085","0.0913","","","","","","1.064","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105931","4.0018","0.0003","12.8838","0.0009","18.0222","0.0014","90","","94.511","0.005","90","","926.32","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N O2 S2 -","- C10 H5 N O2 S2 -","- C40 H20 N4 O8 S8 -","4","1","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","1.54178","CuKα","","0.0482","0.0378","","","0.0963","0.1028","","","","","","1.041","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105932","7.3022","0.0002","7.6899","0.0002","21.1997","0.0007","84.205","0.001","89.146","0.002","85.231","0.002","1180.22","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Br2 O2 -","- C12 H10 Br2 O2 -","- C48 H40 Br8 O8 -","4","2","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","0.71073","MoKα","","0.0645","0.0594","","","0.165","0.1733","","","","","","1.159","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105933","17.339","0.006","14.752","0.006","18.507","0.007","90","","90","","90","","4734","3","85","1","85","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Br4 N6 S0 Zn2 -","- C18 H12 Br4 N6 Zn2 -","- C144 H96 Br32 N48 Zn16 -","8","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","","","0.71073","MoKα","","0.034","0.022","","","0.0454","0.0483","","","","","","1.025","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105934","11.759","0.004","9.403","0.003","19.364","0.007","90","","100.515","0.004","90","","2105.1","1.2","85","1","85","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl4 N6 Zn2 -","- C18 H12 Cl4 N6 Zn2 -","- C72 H48 Cl16 N24 Zn8 -","4","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","","","0.71073","MoKα","","0.0922","0.0445","","","0.0716","0.0847","","","","","","0.985","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105935","49.62","0.0001","50.589","0.0006","6.059","0.0006","90","","90","","90","","15209.5","1.5","90","1","90","1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C72 H54 Cl6 N18 O12 Zn3 -","- C72 H54 Cl6 N18 O12 Zn3 -","- C576 H432 Cl48 N144 O96 Zn24 -","8","0.5","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","","","0.88559","synchrotron","","0.0854","0.0792","","","0.2073","0.2152","","","","","","1.037","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105936","23.089","0.002","22.702","0.002","15.646","0.001","90","","90","","90","","8201.1","1.1","","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 Br6 N12 O Zn3 -","- C36 Br6 N12 Zn3 -","- C288 Br48 N96 Zn24 -","8","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","powder diffraction","","1.3","Synchrotron","","","0.0399","","","0.0539","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105937","12.5882","0.0009","29.285","0.002","6.5904","0.0004","90","","92.885","0.002","90","","2426.4","0.3","","","83","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 I7.58 N12 Zn3 -","- C36 I7.228 N12 Zn3 -","- C72 I14.456 N24 Zn6 -","2","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","powder diffraction","","0.9948","Synchrotron","","","0.0298","","","0.0399","","","","","","","","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105938","12.719","0.0005","29.6449","0.0011","6.51966","0.00023","90","","93.066","0.002","90","","2454.74","0.16","","","95","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 I6 N12 Zn3 -","- C36 I6 N12 Zn3 -","- C72 I12 N24 Zn6 -","2","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","powder diffraction","","1","Synchrotron","","","0.0268","","","0.0354","","","","","","","","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105939","10.4199","0.0001","15.8525","0.0002","16.8803","0.0002","115.978","0.001","95.206","0.001","96.271","0.001","2461.44","0.05","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","Chisholm 1772","","","- C94 H84 B2 F30 N2 O10 W2 -","- C94 H84 B2 F30 N2 O10 W2 -","- C94 H84 B2 F30 N2 O10 W2 -","1","0.5","","Philip Bunting; Malcolm H. Chisholm; Judith C. Gallucci; Benjamin J. Lear","Extent of M2δ to Ligand π-Conjugation in Neutral and Mixed Valence States of Bis(4-isonicotinate)-bis(2,4,6-triisopropylbenzoate) Dimetal Complexes (MM), Where M = Mo or W, and Their Adducts with Tris(pentafluorophenyl)boron","Journal of the American Chemical Society","2011","133","","5873","5881","10.1021/ja109522b","","x-ray","0.71073","MoKα","","0.0323","0.0261","","","0.0639","0.0658","","","","","","1.077","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105940","10.4023","0.0001","15.7963","0.0001","16.9541","0.0001","115.641","0.001","94.922","0.001","96.875","0.001","2463.82","0.04","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","Chisholm 1774","","","- C94 H84 B2 F30 Mo2 N2 O10 -","- C94 H84 B2 F30 Mo2 N2 O10 -","- C94 H84 B2 F30 Mo2 N2 O10 -","1","0.5","","Philip Bunting; Malcolm H. Chisholm; Judith C. Gallucci; Benjamin J. Lear","Extent of M2δ to Ligand π-Conjugation in Neutral and Mixed Valence States of Bis(4-isonicotinate)-bis(2,4,6-triisopropylbenzoate) Dimetal Complexes (MM), Where M = Mo or W, and Their Adducts with Tris(pentafluorophenyl)boron","Journal of the American Chemical Society","2011","133","","5873","5881","10.1021/ja109522b","","x-ray","0.71073","MoKα","","0.0381","0.0316","","","0.0835","0.0865","","","","","","1.048","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105941","17.212","0.0007","21.4165","0.0009","17.7094","0.0007","90","","99.615","0.001","90","","6436.3","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H80 B2 F8 N4 Ni O2 P4 -","- C68 H80 B2 F8 N4 Ni O2 P4 -","- C272 H320 B8 F32 N16 Ni4 O8 P16 -","4","1","","Uriah J. Kilgore; John A. S. Roberts; Douglas H. Pool; Aaron M. Appel; Michael P. Stewart; M. Rakowski DuBois; William G. Dougherty; W. Scott Kassel; R. Morris Bullock; Daniel L. DuBois","[Ni(PPh2NC6H4X2)2]2+ Complexes as Electrocatalysts for H2 Production: Effect of Substituents, Acids, and Water on Catalytic Rates","Journal of the American Chemical Society","2011","133","","5861","5872","10.1021/ja109755f","","","0.71073","MoKα","","0.0777","0.0458","","","0.1008","0.1138","","","","","","1.023","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105942","22.5412","0.0012","13.4356","0.0008","22.365","0.0012","90","","118.716","0.003","90","","5940.3","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H67 B2 F8 N5 Ni O4 P4 -","- C62 H67 B2 F8 N5 Ni O4 P4 -","- C248 H268 B8 F32 N20 Ni4 O16 P16 -","4","1","","Uriah J. Kilgore; John A. S. Roberts; Douglas H. Pool; Aaron M. Appel; Michael P. Stewart; M. Rakowski DuBois; William G. Dougherty; W. Scott Kassel; R. Morris Bullock; Daniel L. DuBois","[Ni(PPh2NC6H4X2)2]2+ Complexes as Electrocatalysts for H2 Production: Effect of Substituents, Acids, and Water on Catalytic Rates","Journal of the American Chemical Society","2011","133","","5861","5872","10.1021/ja109755f","","","0.71073","MoKα","","0.2907","0.0828","","","0.1209","0.178","","","","","","0.897","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105943","9.8295","0.0011","13.9276","0.0016","24.821","0.003","101.216","0.006","91.136","0.007","105.998","0.007","3194.3","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H48 Si8 Sn -","- C16 H48 Si8 Sn -","- C64 H192 Si32 Sn4 -","4","2","","Henning Arp; Judith Baumgartner; Christoph Marschner; Thomas Müller","A Cyclic Disilylated Stannylene: Synthesis, Dimerization, and Adduct Formation","Journal of the American Chemical Society","2011","133","","5632","5635","10.1021/ja1100883","","","0.71073","MoKα","","0.1643","0.1184","","","0.2867","0.3048","","","","","","1.061","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105944","12.615","0.003","25.832","0.005","24.001","0.005","90","","94.39","0.03","90","","7798","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H106 K N O6 Si10 Sn -","- C48 H106 K N O6 Si10 Sn -","- C192 H424 K4 N4 O24 Si40 Sn4 -","4","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Thomas Müller","A Cyclic Disilylated Stannylene: Synthesis, Dimerization, and Adduct Formation","Journal of the American Chemical Society","2011","133","","5632","5635","10.1021/ja1100883","","","0.71073","MoKα","","0.2316","0.1566","","","0.3458","0.3889","","","","","","1.065","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105945","9.6511","0.0019","21.418","0.004","19.324","0.004","90","","103.84","0.03","90","","3878.4","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H63 P Si8 Sn -","- C22 H63 P Si8 Sn -","- C88 H252 P4 Si32 Sn4 -","4","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Thomas Müller","A Cyclic Disilylated Stannylene: Synthesis, Dimerization, and Adduct Formation","Journal of the American Chemical Society","2011","133","","5632","5635","10.1021/ja1100883","","","0.71073","MoKα","","0.124","0.1041","","","0.2573","0.2662","","","","","","1.179","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105946","21.316","0.004","25.165","0.005","19.732","0.004","90","","90","","90","","10585","4","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H48 B F15 Si8 Sn -","- C34 H48 B F15 Si8 Sn -","- C272 H384 B8 F120 Si64 Sn8 -","8","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Thomas Müller","A Cyclic Disilylated Stannylene: Synthesis, Dimerization, and Adduct Formation","Journal of the American Chemical Society","2011","133","","5632","5635","10.1021/ja1100883","","","0.71073","MoKα","","0.0947","0.0656","","","0.1124","0.1211","","","","","","1","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105947","10.5379","0.0004","8.3576","0.0003","13.139","0.0005","90","","109.878","0.004","90","","1088.23","0.08","294","2","294","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 Cl N2 O5 S -","- C22 H19 Cl N2 O5 S -","- C44 H38 Cl2 N4 O10 S2 -","2","1","","Yunfei Cai; Xiaohua Liu; Jun Jiang; Weiliang Chen; Lili Lin; Xiaoming Feng","Catalytic Asymmetric Chloroamination Reaction of α,β-Unsaturated γ-Keto Esters and Chalcones","Journal of the American Chemical Society","2011","133","","5636","5639","10.1021/ja110668c","","","0.7107","MoKα","","0.0492","0.0346","","","0.0744","0.0777","","","","","","0.936","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105948","12.1442","0.0008","12.6611","0.0009","25.0582","0.0017","90.556","0.001","102.357","0.001","116.994","0.001","3328.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H34 B N7 Ni S2 -","- C33 H34 B N7 Ni S2 -","- C132 H136 B4 N28 Ni4 S8 -","4","2","","Huaibo Ma; Jeffrey L. Petersen; Victor G. Young; Gordon T. Yee; Michael P. Jensen","Solid-State Spin Crossover of Ni(II) in a Bioinspired N3S2 Ligand Field","Journal of the American Chemical Society","2011","133","","5644","5647","10.1021/ja110890v","","","0.71073","MoKα","","0.0632","0.05","","","0.1373","0.1496","","","","","","1.029","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105949","12.004","0.0012","12.5359","0.0012","24.678","0.002","91.034","0.001","101.353","0.001","116.788","0.001","3225.9","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","mj23ccd","","","- C33 H34 B N7 Ni S2 -","- C33 H34 B N7 Ni S2 -","- C132 H136 B4 N28 Ni4 S8 -","4","2","","Huaibo Ma; Jeffrey L. Petersen; Victor G. Young; Gordon T. Yee; Michael P. Jensen","Solid-State Spin Crossover of Ni(II) in a Bioinspired N3S2 Ligand Field","Journal of the American Chemical Society","2011","133","","5644","5647","10.1021/ja110890v","","","0.71073","MoKα","","0.0525","0.0373","","","0.0849","0.0934","","","","","","1.04","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105950","8.4958","0.0016","23.176","0.004","13.392","0.002","90","","90.987","0.004","90","","2636.5","0.8","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 O15 -","- C31 H28 O11 -","- C124 H112 O44 -","4","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","0.1389","0.0529","","","0.0766","0.0928","","","","","","0.808","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105951","7.706","0.0015","9.397","0.0019","12.156","0.002","80.64","0.03","78.7","0.03","71.62","0.03","814.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O7 -","- C20 H16 O7 -","- C40 H32 O14 -","2","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","0.0691","0.0511","","","0.1517","0.1688","","","","","","1.008","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105952","4.9131","0.0011","8.5738","0.0019","24.007","0.005","90","","90","","90","","1011.3","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","0.0502","0.0471","","","0.1205","0.1229","","","","","","1.096","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105953","8.562","0.0017","12.833","0.003","22.116","0.004","90","","90","","90","","2430","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 N O3 -","- C28 H35 N O3 -","- C112 H140 N4 O12 -","4","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","0.0934","0.0592","","","0.1392","0.1607","","","","","","1.013","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105954","7.4805","0.0002","24.5401","0.0007","12.4338","0.0003","90","","97.302","0.002","90","","2263.99","0.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 O8 -","- C30 H20 O8 -","- C120 H80 O32 -","4","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","","0.0612","","","0.153","0.1859","","","","","","1.019","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105955","16.5843","0.0006","16.599","0.0008","22.2252","0.0012","90","","90","","90","","6118.2","0.5","100","2","100","2","","","","","","","","7","P m m m","-P 2 2","47","","","","- C192 H278 Al F10 N44 O42 Zn3 -","- C90 H40 Al F10 N10 O10 Zn3 -","- C90 H40 Al F10 N10 O10 Zn3 -","1","0.125","","Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials","Journal of the American Chemical Society","2011","133","","5652","5655","10.1021/ja111042f","","","1.54178","CuKα","","0.091","0.0713","","","0.18","0.1898","","","","","","0.942","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105956","16.614","0.003","16.64","0.003","22.194","0.005","90","","90","","90","","6136","2","100","2","100","2","","","","","","","","8","P m m m","-P 2 2","47","","","","- C198 H292 Cl F10 Fe N46 O54 Zn3 -","- C90 H40 Cl F10 Fe N10 O8 Zn3 -","- C90 H40 Cl F10 Fe N10 O8 Zn3 -","1","0.125","","Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials","Journal of the American Chemical Society","2011","133","","5652","5655","10.1021/ja111042f","","","1.54178","CuKα","","0.1321","0.0856","","","0.2066","0.2249","","","","","","0.852","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105957","16.5671","0.0005","16.5864","0.0005","22.1775","0.001","90","","90","","90","","6094.1","0.4","100","2","100","2","","","","","","","","8","P m m m","-P 2 2","47","","","","- C183 H249 F10 Mn N41 O39 Pd Zn2 -","- C90 H32 F10 Mn N10 O8 Pd Zn2 -","- C90 H32 F10 Mn N10 O8 Pd Zn2 -","1","0.125","","Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials","Journal of the American Chemical Society","2011","133","","5652","5655","10.1021/ja111042f","","","1.54178","CuKα","","0.0865","0.0622","","","0.1554","0.1647","","","","","","0.912","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105958","16.6121","0.001","16.6202","0.0009","22.1631","0.0019","90","","90","","90","","6119.2","0.7","100","2","100","2","","","","","","","","7","P m m m","-P 2 2","47","","","","- C186 H264 F10 Mn N42 O41 Zn3 -","- C90 H40 F10 Mn N10 O9 Zn3 -","- C90 H40 F10 Mn N10 O9 Zn3 -","1","0.125","","Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials","Journal of the American Chemical Society","2011","133","","5652","5655","10.1021/ja111042f","","","1.54178","CuKα","","0.1077","0.0806","","","0.196","0.21","","","","","","0.919","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105959","16.598","0.002","16.643","0.002","22.494","0.003","90","","90","","90","","6213.8","1.3","100","2","100","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C174 H236 F10 N38 O37 Zn4 -","- C90 H40 F10 N10 O9 Zn4 -","- C90 H40 F10 N10 O9 Zn4 -","1","0.125","","Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials","Journal of the American Chemical Society","2011","133","","5652","5655","10.1021/ja111042f","","","1.54178","CuKα","","0.1504","0.1218","","","0.3041","0.3289","","","","","","1.182","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105960","5.0852","0.0006","5.5751","0.0007","17.793","0.003","96.981","0.006","93.8853","0.0015","99.0089","0.0014","492.58","0.12","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C20 H24 Br N O3 -","- C20 H24 Br N O3 -","- C20 H24 Br N O3 -","1","1","","Tomonori Misaki; Kei Kawano; Takashi Sugimura","Highly Z-Selective Asymmetric 1,4-Addition Reaction of 5H-Oxazol-4-ones with Alkynyl Carbonyl Compounds Catalyzed by Chiral Guanidines","Journal of the American Chemical Society","2011","133","","5695","5697","10.1021/ja200283n","","","0.71069","MoKα","","","0.0603","","","","0.0589","","","","","","1.11","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105961","16.23481","0.00016","16.23481","0.00016","4.083","0.00005","90","","90","","90","","1076.15","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.13003","","1.52","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105962","16.1602","0.0002","16.1602","0.0002","4.01327","0.00006","90","","90","","90","","1048.07","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.09795","","1.7","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105963","16.03132","0.0002","16.03132","","3.89682","0.00007","90","","90","","90","","1001.5","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.10651","","1.68","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105964","15.93675","0.00016","15.93675","","3.81437","0.00005","90","","90","","90","","968.774","0.016","293","2","293","3","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.10626","","1.39","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105965","15.86977","0.00016","15.86977","0.00016","3.74821","0.00005","90","","90","","90","","943.985","0.018","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.06544","","1.29","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105966","15.81103","0.00017","15.81103","0.00017","3.69185","0.00006","90","","90","","90","","922.92","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.08272","","1.45","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105967","15.76088","0.00015","15.76088","0.00015","3.6336","0.00006","90","","90","","90","","902.606","0.019","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.1409","","1.34","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105968","15.67329","0.00019","15.67329","0.00019","3.52999","0.00006","90","","90","","90","","867.15","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.22912","","1.47","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105969","15.63466","0.00014","15.63466","0.00014","3.48795","0.00006","90","","90","","90","","852.604","0.018","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","","","","","","","","","0.27224","","1.27","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105970","15.96595","0.00027","15.96595","0.00027","3.85717","0.00008","90","","90","","90","","983.24","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.12483","","5.44","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105971","15.7209","0.00024","15.7209","0.0024","3.5586","0.00007","90","","90","","90","","879.5","0.14","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.06112","","5.04","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105972","15.63059","0.00027","15.63059","0.00027","3.57744","0.00008","90","","90","","90","","874.02","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.11333","","5.85","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105973","15.61515","0.00021","15.61515","0.00021","3.50758","0.00006","90","","90","","90","","855.26","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","1.98048","","3.88","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105974","16.3109","0.0014","16.3109","0.0014","4.1753","0.0007","90","","90","","90","","1110.8","0.2","296","2","296","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","","","0.71073","MoKα","","0.0463","0.0307","","","0.0504","0.0542","","","","","","1.103","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105975","14.6229","0.0012","14.6619","0.0012","25.248","0.002","90","","91.043","0.002","90","","5412.3","0.8","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[PPh4][VO(OMe)(PS3"")]","","","- C52 H59 O2 P2 S3 Si3 V -","- C52 H59 O2 P2 S3 Si3 V -","- C208 H236 O8 P8 S12 Si12 V4 -","4","1","","Ya-Ho Chang; Chia-Ling Su; Ru-Rong Wu; Ju-Hsiou Liao; Yi-Hung Liu; Hua-Fen Hsu","An Eight-Coordinate Vanadium Thiolate Complex with Charge Delocalization between V(V)-Thiolate and V(IV)-Thiyl Radical Forms","Journal of the American Chemical Society","2011","133","","5708","5711","10.1021/ja2004208","","","0.71073","MoKα","","0.0901","0.0469","","","0.1005","0.1178","","","","","","0.976","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105976","25.0966","0.0004","24.0932","0.0004","25.0397","0.0003","90","","101.965","0.001","90","","14811.5","0.4","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[NEt4][V(PS3"")2]","","","- C62 H92 N P2 S6 Si6 V -","- C62 H92 N P2 S6 Si6 V -","- C496 H736 N8 P16 S48 Si48 V8 -","8","2","","Ya-Ho Chang; Chia-Ling Su; Ru-Rong Wu; Ju-Hsiou Liao; Yi-Hung Liu; Hua-Fen Hsu","An Eight-Coordinate Vanadium Thiolate Complex with Charge Delocalization between V(V)-Thiolate and V(IV)-Thiyl Radical Forms","Journal of the American Chemical Society","2011","133","","5708","5711","10.1021/ja2004208","","","0.71073","MoKα","","0.1248","0.055","","","0.12","0.1517","","","","","","1.036","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105977","12.504","0.002","21.79","0.004","18.052","0.003","90","","106.302","0.002","90","","4720.7","1.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Cp'TmMe2]3","","","- C42 H81 Si3 Tm3 -","- C42 H81 Si3 Tm3 -","- C168 H324 Si12 Tm12 -","4","1","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0605","0.0341","","","0.0617","0.0667","","","","","","0.807","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105978","9.1108","0.0007","18.1931","0.0014","29.074","0.002","90","","90","","90","","4819.1","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[Cp'LuMe2]3","","","- C42 H81 Lu3 Si3 -","- C42 H81 Lu3 Si3 -","- C168 H324 Lu12 Si12 -","4","1","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0266","0.0242","","","0.0489","0.0495","","","","","","0.971","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105979","15.0165","0.0018","14.5158","0.0018","22.019","0.003","90","","92.711","0.002","90","","4794.3","1.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Cp'3Tm3CH2Me4]","","","- C41 H77 Si3 Tm3 -","- C41 H77 Si3 Tm3 -","- C164 H308 Si12 Tm12 -","4","1","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0549","0.0286","","","0.0507","0.0558","","","","","","0.874","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105980","12.3134","0.0014","23.365","0.003","13.4173","0.0016","90","","115.752","0.001","90","","3476.8","0.7","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C64 H104 Si4 Tm4 -","- C64 H104 Si4 Tm4 -","- C128 H208 Si8 Tm8 -","2","0.5","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0406","0.0295","","","0.0623","0.065","","","","","","0.997","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105981","12.3484","0.0013","23.487","0.003","13.463","0.0014","90","","115.768","0.002","90","","3516.4","0.7","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C64 H104 Lu4 Si4 -","- C64 H104 Lu4 Si4 -","- C128 H208 Lu8 Si8 -","2","0.5","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0791","0.0639","","","0.1498","0.1561","","","","","","1.175","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105982","21.091","0.003","13.0175","0.0017","19.404","0.003","90","","91.046","0.002","90","","5326.5","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H83 O Si3 Tm3 -","- C53 H83 O Si3 Tm3 -","- C212 H332 O4 Si12 Tm12 -","4","1","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0439","0.034","","","0.0722","0.0756","","","","","","0.985","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105983","13.4946","0.0018","13.4946","0.0018","14.912","0.002","90","","90","","120","","2351.7","0.5","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 La2 N6 O33 -","- C24 H30 Cu3 La2 N6 O33 -","- C48 H60 Cu6 La4 N12 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0404","","","","0.1331","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105984","13.4567","0.0016","13.4567","0.0016","14.6982","0.0019","90","","90","","120","","2305","0.5","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 N6 Nd2 O33 -","- C24 H30 Cu3 N6 Nd2 O33 -","- C48 H60 Cu6 N12 Nd4 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0375","","","","0.1122","","","","","","1.163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105985","13.4105","0.0013","13.4105","0.0013","14.5808","0.0015","90","","90","","120","","2270.9","0.4","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 N6 O33 Sm2 -","- C24 H30 Cu3 N6 O33 Sm2 -","- C48 H60 Cu6 N12 O66 Sm4 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0356","","","","0.1152","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105986","13.4147","0.001","13.4147","0.001","14.4622","0.0012","90","","90","","120","","2253.9","0.3","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 Gd2 N6 O33 -","- C24 H30 Cu3 Gd2 N6 O33 -","- C48 H60 Cu6 Gd4 N12 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0371","","","","0.0826","","","","","","1.208","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105987","13.388","0.002","13.388","0.002","14.306","0.002","90","","90","","120","","2220.7","0.6","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 Ho2 N6 O33 -","- C24 H30 Cu3 Ho2 N6 O33 -","- C48 H60 Cu6 Ho4 N12 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0383","","","","0.0956","","","","","","1.189","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105988","13.3473","0.0008","13.3473","0.0008","14.2599","0.0008","90","","90","","120","","2200.1","0.2","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 Er2 N6 O33 -","- C24 H30 Cu3 Er2 N6 O33 -","- C48 H60 Cu6 Er4 N12 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0241","","","","0.0723","","","","","","1.185","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105989","13.374","0.0006","13.374","0.0006","14.9482","0.0008","90","","90","","120","","2315.49","0.19","113.1","","113","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H30 Cu3 La2 N6 O24 -","- C24 H30 Cu3 La2 N6 O24 -","- C48 H60 Cu6 La4 N12 O48 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0294","","","","0.0826","","","","","","1.135","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105990","8.6793","0.0005","10.6231","0.0006","15.093","0.0009","90","","90","","90","","1391.59","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 B N O P -","- C13 H21 B N O P -","- C52 H84 B4 N4 O4 P4 -","4","1","","Thierry León; Antoni Riera; Xavier Verdaguer","Stereoselective Synthesis of P-Stereogenic Aminophosphines: Ring Opening of Bulky Oxazaphospholidines","Journal of the American Chemical Society","2011","133","","5740","5743","10.1021/ja200988c","","","0.71073","MoKα","","0.0376","0.0332","","","0.0892","0.0918","","","","","","1.073","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4105991","12.7622","0.0004","12.7622","0.0004","33.2409","0.001","90","","90","","120","","4688.7","0.3","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C14 H25 B N O P -","- C14 H25 B N O P -","- C168 H300 B12 N12 O12 P12 -","12","2","","Thierry León; Antoni Riera; Xavier Verdaguer","Stereoselective Synthesis of P-Stereogenic Aminophosphines: Ring Opening of Bulky Oxazaphospholidines","Journal of the American Chemical Society","2011","133","","5740","5743","10.1021/ja200988c","","","0.71073","MoKα","","0.0564","0.0455","","","0.1077","0.114","","","","","","1.041","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4105992","9.8349","0.0006","13.008","0.0008","14.6147","0.0011","90","","90","","90","","1869.7","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 B N O P -","- C19 H27 B N O P -","- C76 H108 B4 N4 O4 P4 -","4","1","","Thierry León; Antoni Riera; Xavier Verdaguer","Stereoselective Synthesis of P-Stereogenic Aminophosphines: Ring Opening of Bulky Oxazaphospholidines","Journal of the American Chemical Society","2011","133","","5740","5743","10.1021/ja200988c","","","0.71073","MoKα","","0.0424","0.0372","","","0.0945","0.0979","","","","","","1.107","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4105993","7.5821","0.0007","10.1241","0.0009","23.702","0.002","90","","90","","90","","1819.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 B10 O -","- C12 H24 B10 O -","- C48 H96 B40 O4 -","4","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Regioselective Insertion of Carborynes into Ethereal C-H Bond: Facile Synthesis of α-Carboranylated Ethers","Journal of the American Chemical Society","2011","133","","5760","5763","10.1021/ja201126h","","","0.71073","MoKα","","0.0769","0.0527","","","0.1332","0.1507","","","","","","1.057","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105994","7.1977","0.0004","9.1857","0.0005","22.8755","0.0012","90","","90","","90","","1512.43","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H19 B10 I O -","- C6 H19 B10 I O -","- C24 H76 B40 I4 O4 -","4","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Regioselective Insertion of Carborynes into Ethereal C-H Bond: Facile Synthesis of α-Carboranylated Ethers","Journal of the American Chemical Society","2011","133","","5760","5763","10.1021/ja201126h","","","0.71073","MoKα","","0.0173","0.0171","","","0.0452","0.0453","","","","","","1.141","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105995","28.0596","0.0019","7.3777","0.0005","17.1759","0.0012","90","","112.127","0.001","90","","3293.8","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 B10 O2 -","- C10 H24 B10 O2 -","- C80 H192 B80 O16 -","8","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Regioselective Insertion of Carborynes into Ethereal C-H Bond: Facile Synthesis of α-Carboranylated Ethers","Journal of the American Chemical Society","2011","133","","5760","5763","10.1021/ja201126h","","","0.71073","MoKα","","0.13","0.0775","","","0.2117","0.2584","","","","","","1.053","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105996","5.8949","0.0001","12.0754","0.0002","22.2647","0.0004","90","","90","","90","","1584.87","0.05","180","2","180","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","RajanBabu 1584","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Daniel J. Mans; G. Adam Cox; T. V. RajanBabu","Ethylene in Organic Synthesis. Repetitive Hydrovinylation of Alkenes for Highly Enantioselective Syntheses of Pseudopterosins","Journal of the American Chemical Society","2011","133","","5776","5779","10.1021/ja201321v","","x-ray","0.71073","MoKα","","0.0497","0.0376","","","0.0915","0.0982","","","","","","1.028","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105997","10.889","0.001","11.824","0.002","12.4298","0.0013","100.506","0.006","113.485","0.004","107.899","0.006","1308.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H84 Li4 N6 O2 Ti2 -","- C52 H84 Li4 N6 O2 Ti2 -","- C52 H84 Li4 N6 O2 Ti2 -","1","0.5","","Holger Braunschweig; Marco Fuss; Thomas Kupfer; Krzysztof Radacki","Selective Dilithiation of [Ti(η5-C5H5)(η8-C8H8)] and Subsequent Conversion into Neutral and Cationic ansa-Complexes","Journal of the American Chemical Society","2011","133","","5780","5783","10.1021/ja2014218","","","0.71073","MoKα","","0.0449","0.036","","","0.0863","0.0913","","","","","","1.029","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105998","18.371","0.0013","10.5472","0.0007","32.222","0.002","90","","100.328","0.003","90","","6142.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C61 H101 Sn4 Ti2 -","- C61 H101 Sn4 Ti2 -","- C244 H404 Sn16 Ti8 -","4","1","","Holger Braunschweig; Marco Fuss; Thomas Kupfer; Krzysztof Radacki","Selective Dilithiation of [Ti(η5-C5H5)(η8-C8H8)] and Subsequent Conversion into Neutral and Cationic ansa-Complexes","Journal of the American Chemical Society","2011","133","","5780","5783","10.1021/ja2014218","","","0.71073","MoKα","","0.0266","0.023","","","0.0531","0.0546","","","","","","1.073","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105999","14.1403","0.0014","15.4363","0.0015","18.3855","0.0019","107.964","0.004","107.45","0.004","91.856","0.004","3607.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H49 Cl2 F6 P Sn2 Ti -","- C30 H49 Cl2 F6 P Sn2 Ti -","- C120 H196 Cl8 F24 P4 Sn8 Ti4 -","4","2","","Holger Braunschweig; Marco Fuss; Thomas Kupfer; Krzysztof Radacki","Selective Dilithiation of [Ti(η5-C5H5)(η8-C8H8)] and Subsequent Conversion into Neutral and Cationic ansa-Complexes","Journal of the American Chemical Society","2011","133","","5780","5783","10.1021/ja2014218","","","0.71073","MoKα","","0.0213","0.0189","","","0.0475","0.0494","","","","","","1.049","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4106000","14.9622","0.0017","11.727","0.0013","15.0608","0.0017","90","","109.114","0.001","90","","2496.9","0.5","120","0.1","120","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,6-Bis[Bis(di-tert-butylmethylsilyl)silylene]cyclohexa-1,4-diene","","- C42 H88 Si6 -","- C42 H88 Si6 -","- C84 H176 Si12 -","2","0.5","","Takeshi Nozawa; Michiyo Nagata; Masaaki Ichinohe; Akira Sekiguchi","Isolable p- and m-[(tBu2MeSi)2Si]2C6H4: Disilaquinodimethane vs Triplet Bis(silyl radical)","Journal of the American Chemical Society","2011","133","","5773","5775","10.1021/ja2014746","","","0.71073","MoKα","","0.0449","0.042","","","0.1131","0.116","","","","","","1.049","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106001","26.201","0.0011","12.156","0.0006","15.404","0.002","90","","90","","90","","4906.2","0.7","150","0.1","150","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","1,3-Bis[2,2-di-tert-butyl-1-(di-tert-butylmethylsilyl)- 2-methyldisilanyl]benzene-1',1''-diyl","","- C42 H88 Si6 -","- C42 H88 Si6 -","- C168 H352 Si24 -","4","0.5","","Takeshi Nozawa; Michiyo Nagata; Masaaki Ichinohe; Akira Sekiguchi","Isolable p- and m-[(tBu2MeSi)2Si]2C6H4: Disilaquinodimethane vs Triplet Bis(silyl radical)","Journal of the American Chemical Society","2011","133","","5773","5775","10.1021/ja2014746","","","0.7107","MoKα","","0.1035","0.0621","","","0.1492","0.1685","","","","","","1.034","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106002","7.12514","0.00013","8.22811","0.00015","30.7815","0.0006","90","","90","","90","","1804.61","0.06","118.1","","118.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N3 O9 -","- C16 H19 N3 O9 -","- C64 H76 N12 O36 -","4","1","","Yingjie Xu; Luqing Lin; Motomu Kanai; Shigeki Matsunaga; Masakatsu Shibasaki","Catalytic Asymmetric Ring-Opening of meso-Aziridines with Malonates under Heterodinuclear Rare Earth Metal Schiff Base Catalysis","Journal of the American Chemical Society","2011","133","","5791","5793","10.1021/ja201492x","","","1.54187","CuKα","","","0.0409","","","","0.1293","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106003","7.9092","0.0015","25.245","0.005","9.7786","0.0014","90","","116.117","0.011","90","","1753.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C88 H84 N4 O20 -","4","1","","Vikram Bhat; Kevin M. Allan; Viresh H. Rawal","Total Synthesis of N-Methylwelwitindolinone D Isonitrile","Journal of the American Chemical Society","2011","133","","5798","5801","10.1021/ja201834u","","","0.71073","MoKα","","0.0724","0.0481","","","0.1138","0.1213","","","","","","0.95","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106004","6.6766","0.0004","12.9963","0.0005","12.3595","0.0009","90","","90.087","0.006","90","","1072.45","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 F5 O3 -","- C8 H11 F5 O3 -","- C32 H44 F20 O12 -","4","1","","Changho Han; Eun Hoo Kim; David A. Colby","Cleavage of Carbon-Carbon Bonds through the Mild Release of Trifluoroacetate: Generation of α,α-Difluoroenolates for Aldol Reactions","Journal of the American Chemical Society","2011","133","","5802","5805","10.1021/ja202213f","","","1.54184","CU-Kα","","0.061","0.05","","","0.138","0.158","","","","","","1.168","","","","has coordinates","288189","2023-12-08","15:49:02",""
"4106005","17.1625","0.0019","17.1625","0.0019","17.1625","0.0019","90","","90","","90","","5055.2","1","292","2","292","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","","","","- C72 H72 N6 O22 Zn4 -","- C72 H72 N6 O22 Zn4 -","- C72 H72 N6 O22 Zn4 -","1","0.0416667","","David J. Lun; Geoffrey I. N. Waterhouse; Shane G. Telfer","A General Thermolabile Protecting Group Strategy for Organocatalytic Metal-Organic Frameworks","Journal of the American Chemical Society","2011","133","","5806","5809","10.1021/ja202223d","","","1.54178","CuKα","","0.132","0.1179","","","0.3104","0.348","","","","","","1.346","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106006","17.16","0.003","17.16","0.003","17.16","0.003","90","","90","","90","","5053","1.5","292","2","292","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","","","","- C57 H48 N6 O16 Zn4 -","- C57 H48 N6 O16 Zn4 -","- C57 H48 N6 O16 Zn4 -","1","0.0416667","","David J. Lun; Geoffrey I. N. Waterhouse; Shane G. Telfer","A General Thermolabile Protecting Group Strategy for Organocatalytic Metal-Organic Frameworks","Journal of the American Chemical Society","2011","133","","5806","5809","10.1021/ja202223d","","","1.54178","CuKα","","0.1317","0.1286","","","0.32","0.324","","","","","","1.499","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106007","11.234","0.003","18.92","0.006","12.151","0.004","90","","109.295","0.005","90","","2437.6","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl2 Cu N3 O -","- C24 H23 Cl2 Cu N3 O -","- C96 H92 Cl8 Cu4 N12 O4 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0575","0.0312","","","0.0719","0.0774","","","","","","1.002","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106008","8.814","0.002","11.758","0.002","13.14","0.003","99.094","0.004","101.834","0.004","109.287","0.004","1219.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H58 Cl8 Cu2 N6 O2 -","- C38 H58 Cl8 Cu2 N6 O2 -","- C38 H58 Cl8 Cu2 N6 O2 -","1","0.5","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0702","0.039","","","0.0731","0.0782","","","","","","1.005","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106009","16.047","0.001","10.655","0.001","28.388","0.002","90","","106.313","0.001","90","","4658.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Cl2 Cu N3 O -","- C20 H31 Cl2 Cu N3 O -","- C160 H248 Cl16 Cu8 N24 O8 -","8","2","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0814","0.046","","","0.1104","0.1268","","","","","","1.016","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106010","8.082","0.001","12.312","0.001","21.242","0.002","90","","98.477","0.003","90","","2090.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cl2 Cu N3 O S -","- C19 H21 Cl2 Cu N3 O S -","- C76 H84 Cl8 Cu4 N12 O4 S4 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0755","0.038","","","0.0615","0.0665","","","","","","1.008","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106011","8.576","0.001","10.448","0.002","11.856","0.002","93.069","0.003","109.67","0.002","110.08","0.002","922.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H38 Cl4 Cu2 N6 O2 S2 -","- C28 H38 Cl4 Cu2 N6 O2 S2 -","- C28 H38 Cl4 Cu2 N6 O2 S2 -","1","0.5","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0545","0.0357","","","0.0787","0.0843","","","","","","1.003","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106012","9.371","0.003","10.681","0.004","12.106","0.004","100.153","0.006","108.798","0.006","109.823","0.006","1022.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H50 Cl4 Cu2 N6 O3 S2 -","- C33 H50 Cl4 Cu2 N6 O3 S2 -","- C33 H50 Cl4 Cu2 N6 O3 S2 -","1","0.5","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.062","0.0402","","","0.0918","0.1023","","","","","","1.018","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106013","9.304","0.006","11.801","0.008","12.441","0.009","73.951","0.009","74.725","0.009","68.733","0.009","1202.9","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H62 Cl4 Cu2 N6 O2 S2 -","- C40 H62 Cl4 Cu2 N6 O2 S2 -","- C40 H62 Cl4 Cu2 N6 O2 S2 -","1","0.5","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.2196","0.0679","","","0.0795","0.0948","","","","","","1.007","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106014","8.685","0.003","15.198","0.006","15.769","0.006","90","","93.87","0.01","90","","2076.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl4 Cu2 N8 -","- C14 H16 Cl4 Cu2 N8 -","- C56 H64 Cl16 Cu8 N32 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.1106","0.0381","","","0.0503","0.0572","","","","","","0.876","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106015","9.337","0.003","9.811","0.003","13.137","0.004","84.748","0.006","74.118","0.005","85.003","0.006","1150.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H32 Cl2 Cu N4 -","- C19 H32 Cl2 Cu N4 -","- C38 H64 Cl4 Cu2 N8 -","2","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.1436","0.0521","","","0.0514","0.059","","","","","","0.918","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106016","8.483","0.001","20.248","0.003","11.613","0.002","90","","105.14","0.004","90","","1925.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl4 Cu2 N8 S2 -","- C38 H32 Cl4 Cu2 N8 S2 -","- C76 H64 Cl8 Cu4 N16 S4 -","2","0.5","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.1375","0.0459","","","0.0604","0.0713","","","","","","0.71","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106017","8.99","0.004","17.036","0.007","17.751","0.008","107.32","0.007","93.791","0.007","98.286","0.007","2551.1","1.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H50.5 Cl4 Cu2 N8 O1.25 S2 -","- C46 H48 Cl4 Cu2 N8 O1.246 S2 -","- C92 H96 Cl8 Cu4 N16 O2.492 S4 -","2","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.1845","0.1056","","","0.2762","0.3319","","","","","","1.001","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106018","13.002","0.001","16.61","0.002","15.314","0.001","90","","106.683","0.005","90","","3168.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H40 Cl2 Cu N4 S -","- C31 H40 Cl2 Cu N4 S -","- C124 H160 Cl8 Cu4 N16 S4 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0777","0.0324","","","0.0543","0.0613","","","","","","1.004","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106019","7.263","0.001","15.448","0.002","18.549","0.002","90","","90","","90","","2081.2","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl2 Cu N4 S -","- C18 H22 Cl2 Cu N4 S -","- C72 H88 Cl8 Cu4 N16 S4 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0485","0.0336","","","0.0755","0.0821","","","","","","1.034","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106020","10.011","0.001","17.382","0.002","17.323","0.002","90","","90.74","0.002","90","","3014.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl2 Cu N4 S -","- C26 H38 Cl2 Cu N4 S -","- C104 H152 Cl8 Cu4 N16 S4 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.1099","0.0429","","","0.0646","0.0705","","","","","","1.009","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106021","10.717","0.002","12.806","0.003","13.365","0.003","62.799","0.005","89.557","0.005","89.749","0.006","1631.3","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 Al Cl5 Mg O6 -","- C24 H48 Al Cl5 Mg O6 -","- C48 H96 Al2 Cl10 Mg2 O12 -","2","1","","Nir Pour; Yossi Gofer; Dan T. Major; Doron Aurbach","Structural Analysis of Electrolyte Solutions for Rechargeable Mg Batteries by Stereoscopic Means and DFT Calculations","Journal of the American Chemical Society","2011","133","","6270","6278","10.1021/ja1098512","","","0.71073","MoKα","","0.1383","0.1281","","","0.3346","0.3376","","","","","","1.089","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106022","16.5236","0.0009","16.3584","0.001","39.2632","0.0019","90","","111.126","0.002","90","","9899.5","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 Al Cl3 Mg2 O6 -","- C48 H68 Al Cl3 Mg2 O6 -","- C384 H544 Al8 Cl24 Mg16 O48 -","8","2","","Nir Pour; Yossi Gofer; Dan T. Major; Doron Aurbach","Structural Analysis of Electrolyte Solutions for Rechargeable Mg Batteries by Stereoscopic Means and DFT Calculations","Journal of the American Chemical Society","2011","133","","6270","6278","10.1021/ja1098512","","","0.71073","MoKα","","0.1164","0.0855","","","0.2093","0.2259","","","","","","1.069","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106023","25.283","0.002","15.3956","0.0012","20.7739","0.0017","90","","94.899","0.004","90","","8056.6","1.1","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Sm@C2(40)-C90.Ni(OEP).2chlorobenzene","","","- C138 H54 Cl2 N4 Ni Sm -","- C138.68 H54 Cl2 N4 Ni Sm -","- C554.72 H216 Cl8 N16 Ni4 Sm4 -","4","0.5","","Hua Yang; Hongxiao Jin; Hongyu Zhen; Zhimin Wang; Ziyang Liu; Christine M. Beavers; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Isolation and Crystallographic Identification of Four Isomers of Sm@C90","Journal of the American Chemical Society","2011","133","","6299","6306","10.1021/ja111465n","","","0.7749","synchrotron","","0.0678","0.066","","","0.1809","0.1824","","","","","","1.037","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106024","25.274","0.007","15.378","0.004","20.749","0.006","90","","94.921","0.003","90","","8035","4","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C2(42)-C90.Ni(OEP).2toluene","","","- C140 H60 N4 Ni Sm -","- C142 H60 N4 Ni Sm0.9998 -","- C568 H240 N16 Ni4 Sm3.9992 -","4","0.5","","Hua Yang; Hongxiao Jin; Hongyu Zhen; Zhimin Wang; Ziyang Liu; Christine M. Beavers; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Isolation and Crystallographic Identification of Four Isomers of Sm@C90","Journal of the American Chemical Society","2011","133","","6299","6306","10.1021/ja111465n","","","0.6889","synchrotron","","0.0713","0.0671","","","0.1822","0.1868","","","","","","1.061","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106025","25.5939","0.0013","15.2087","0.0006","41.538","0.002","90","","95.15","0.003","90","","16103.4","1.3","90","2","90","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Sm@C90(90:46)NiOEP.2toluene","","","- C140 H60 N4 Ni Sm -","- C140 H60 N4 Ni Sm -","- C1120 H480 N32 Ni8 Sm8 -","8","1","","Hua Yang; Hongxiao Jin; Hongyu Zhen; Zhimin Wang; Ziyang Liu; Christine M. Beavers; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Isolation and Crystallographic Identification of Four Isomers of Sm@C90","Journal of the American Chemical Society","2011","133","","6299","6306","10.1021/ja111465n","","","0.71073","MoKα","","0.0914","0.0775","","","0.2176","0.2336","","","","","","1.065","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106026","25.5046","0.0007","15.3357","0.0004","20.6732","0.0006","90","","95.399","0.002","90","","8050.1","0.4","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C90(C2:45)^.^Ni(OEP)^.^2toluene","","","- C140 H60 N4 Ni Sm -","- C140.5 H60 N4 Ni Sm0.9988 -","- C562 H240 N16 Ni4 Sm3.9952 -","4","0.5","","Hua Yang; Hongxiao Jin; Hongyu Zhen; Zhimin Wang; Ziyang Liu; Christine M. Beavers; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Isolation and Crystallographic Identification of Four Isomers of Sm@C90","Journal of the American Chemical Society","2011","133","","6299","6306","10.1021/ja111465n","","","0.71073","MoKα","","0.0673","0.0526","","","0.1375","0.152","","","","","","1.024","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106027","8.2094","0.001","28.466","0.003","8.8206","0.001","90","","109.406","0.002","90","","1944.2","0.4","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frojh02","","","- C21 H28 O7 -","- C21 H28 O7 -","- C84 H112 O28 -","4","1","","Jie Huang; David Leboeuf; Alison J. Frontier","Understanding the Fate of the Oxyallyl Cation following Nazarov Electrocyclization: Sequential Wagner-Meerwein Migrations and the Synthesis of Spirocyclic Cyclopentenones","Journal of the American Chemical Society","2011","133","","6307","6317","10.1021/ja111504w","","","0.71073","MoKα","","0.0616","0.0454","","","0.1135","0.1227","","","","","","1.016","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106028","13.0353","0.0009","16.0013","0.0007","16.8519","0.0011","90","","92.304","0.005","90","","3512.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H58 N3 O2 Si6 Yb -","- C20 H58 N3 O2 Si6 Yb -","- C80 H232 N12 O8 Si24 Yb4 -","4","1","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0849","0.0612","","","0.0859","0.0906","","","","","","1.228","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106029","15.8846","0.0003","15.8846","0.0003","8.6025","0.0004","90","","90","","120","","1879.78","0.1","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H60 Al3 O3 Sc -","- C24 H60 Al3 O3 Sc -","- C48 H120 Al6 O6 Sc2 -","2","0.333333","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.031","0.0296","","","0.088","0.0886","","","","","","1.11","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106030","16.121","0.0004","16.121","0.0004","8.6164","0.0005","90","","90","","120","","1939.28","0.13","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H60 Al3 Nd O3 -","- C24 H60 Al3 Nd O3 -","- C48 H120 Al6 Nd2 O6 -","2","0.333333","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.016","0.0153","","","0.0417","0.0419","","","","","","1.137","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106031","17.8247","0.0013","18.2909","0.0012","13.7888","0.001","90","","108.531","0.006","90","","4262.5","0.5","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 Al3 Ce -","- C12 H36 Al3 Ce -","- C96 H288 Al24 Ce8 -","8","2","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","x-ray","0.56085","AgKα","","0.0806","0.0472","","","0.0838","0.0952","","","","","","1.064","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106032","10.8897","0.0013","15.7289","0.0019","12.505","0.002","90","","102.124","0.002","90","","2094.1","0.5","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Al3 Tm -","- C12 H36 Al3 Tm -","- C48 H144 Al12 Tm4 -","4","0.5","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0111","0.0108","","","0.0273","0.0275","","","","","","1.116","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106033","7.386","0.0013","17.683","0.006","32.23","0.011","90","","92.52","0.02","90","","4205","2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 Al3 Yb -","- C12 H36 Al3 Yb -","- C96 H288 Al24 Yb8 -","8","2","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0778","0.0626","","","0.1698","0.1826","","","","","","1.029","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106034","10.8877","0.0004","15.7129","0.0005","12.4928","0.0005","90","","101.819","0.003","90","","2091.92","0.13","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Al3 Yb -","- C12 H36 Al3 Yb -","- C48 H144 Al12 Yb4 -","4","0.5","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0248","0.0202","","","0.0471","0.0475","","","","","","1.201","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106035","7.4556","0.0009","20.036","0.002","17.65","0.002","90","","96.598","0.009","90","","2619.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H45 Al4 Yb -","- C15 H45 Al4 Yb -","- C60 H180 Al16 Yb4 -","4","1","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0987","0.0729","","","0.1119","0.1184","","","","","","1.27","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106036","11.8535","0.0006","11.8535","0.0006","27.0516","0.0014","90","","90","","120","","3291.7","0.3","123","2","123","2","","","","","","","","4","P 32","P 32","145","","","","- C32 H80 Al4 Eu2 -","- C32 H80 Al4 Eu2 -","- C96 H240 Al12 Eu6 -","3","1","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0594","0.0575","","","0.142","0.1439","","","","","","1.159","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106037","14.6676","0.0008","18.9334","0.0011","27.3174","0.0016","90","","90","","90","","7586.2","0.8","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H45 F6 Ir N5 O P -","- C37 H45 F6 Ir N5 O P -","- C296 H360 F48 Ir8 N40 O8 P8 -","8","1","","Michael J. Cowley; Ralph W. Adams; Kevin D. Atkinson; Martin C. R. Cockett; Simon B. Duckett; Gary G. R. Green; Joost A. B. Lohman; Rainer Kerssebaum; David Kilgour; Ryan E. Mewis","Iridium N-Heterocyclic Carbene Complexes as Efficient Catalysts for Magnetization Transfer frompara-Hydrogen","Journal of the American Chemical Society","2011","133","","6134","6137","10.1021/ja200299u","","","0.71073","MoKα","","0.0447","0.031","","","0.0736","0.0815","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106038","13.9129","0.001","13.9129","0.001","16.236","0.002","79.081","0.007","65.96","0.007","60.573","0.006","2499.7","0.4","90","2","90","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C12 H12 I2 -","- C12 H12 I2 -","- C96 H96 I16 -","8","4","","Cyprien Lemouchi; Cortnie S. Vogelsberg; Leokadiya Zorina; Sergey Simonov; Patrick Batail; Stuart E. Brown; Miguel A. Garcia-Garibay","Ultra-fast Rotors for Molecular Machines and Functional Materials via Halogen Bonding: Crystals of 1,4-Bis(iodoethynyl)bicyclo[2.2.2]octane with Distinct Gigahertz Rotation at Two Sites","Journal of the American Chemical Society","2011","133","","6371","6379","10.1021/ja200503j","","","0.71073","MoKα","","0.0809","0.0519","","","0.1297","0.1478","","","","","","1.06","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106039","31.769","0.003","7.0328","0.0008","12.0594","0.0004","90","","110.9","0.006","90","","2517.1","0.4","130","1","130","1","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 I2 -","- C12 H12 I2 -","- C96 H96 I16 -","8","1","","Cyprien Lemouchi; Cortnie S. Vogelsberg; Leokadiya Zorina; Sergey Simonov; Patrick Batail; Stuart E. Brown; Miguel A. Garcia-Garibay","Ultra-fast Rotors for Molecular Machines and Functional Materials via Halogen Bonding: Crystals of 1,4-Bis(iodoethynyl)bicyclo[2.2.2]octane with Distinct Gigahertz Rotation at Two Sites","Journal of the American Chemical Society","2011","133","","6371","6379","10.1021/ja200503j","","","0.71073","MoKα","","0.0497","0.0316","","","0.0667","0.0781","","","","","","1.026","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106040","31.576","0.002","7.1977","0.0005","12.2949","0.0007","90","","111.674","0.006","90","","2596.8","0.3","295","2","295","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 I2 -","- C12 H12 I2 -","- C96 H96 I16 -","8","1","","Cyprien Lemouchi; Cortnie S. Vogelsberg; Leokadiya Zorina; Sergey Simonov; Patrick Batail; Stuart E. Brown; Miguel A. Garcia-Garibay","Ultra-fast Rotors for Molecular Machines and Functional Materials via Halogen Bonding: Crystals of 1,4-Bis(iodoethynyl)bicyclo[2.2.2]octane with Distinct Gigahertz Rotation at Two Sites","Journal of the American Chemical Society","2011","133","","6371","6379","10.1021/ja200503j","","","0.71073","MoKα","","0.0586","0.0364","","","0.0945","0.1082","","","","","","1.007","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106041","14.868","0.003","27.799","0.006","17.357","0.004","90","","99.206","0.004","90","","7082","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66.92 H91.33 Cr3 N6 P3 -","- C64 H88 Cr3 N6 P3 -","- C256 H352 Cr12 N24 P12 -","4","0.5","","Khalid Albahily; Valeria Fomitcheva; Sandro Gambarotta; Ilia Korobkov; Muralee Murugesu; Serge I. Gorelsky","Preparation and Characterization of a Reduced Chromium Complex via Vinyl Oxidative Coupling: Formation of a Self-Activating Catalyst for Selective Ethylene Trimerization","Journal of the American Chemical Society","2011","133","","6380","6387","10.1021/ja200593k","","","0.71073","MoKα","","0.104","0.0576","","","0.1206","0.1334","","","","","","1.042","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106042","10.1969","0.0004","12.1806","0.0005","13.2273","0.0005","76.674","0.002","89.632","0.002","82.685","0.002","1585.19","0.11","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","2","","Yi-Feng Wang; Kah Kah Toh; Eileen Pei Jian Ng; Shunsuke Chiba","Mn(III)-Mediated Formal [3+3]-Annulation of Vinyl Azides and Cyclopropanols: A Divergent Synthesis of Azaheterocycles","Journal of the American Chemical Society","2011","133","","6411","6421","10.1021/ja200879w","","","0.71073","MoKα","","0.1056","0.0688","","","0.1846","0.2122","","","","","","1.016","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106043","20.8569","0.0004","7.807","0.0002","22.9581","0.0007","90","","90","","90","","3738.26","0.17","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C184 H216 N8 O16 -","8","1","","Yi-Feng Wang; Kah Kah Toh; Eileen Pei Jian Ng; Shunsuke Chiba","Mn(III)-Mediated Formal [3+3]-Annulation of Vinyl Azides and Cyclopropanols: A Divergent Synthesis of Azaheterocycles","Journal of the American Chemical Society","2011","133","","6411","6421","10.1021/ja200879w","","","0.71073","MoKα","","0.0739","0.0594","","","0.1371","0.144","","","","","","1.119","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106044","24.988","0.002","7.0092","0.0006","13.0681","0.0011","90","","102.997","0.004","90","","2230.2","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N O2 -","- C29 H31 N O2 -","- C116 H124 N4 O8 -","4","1","","Yi-Feng Wang; Kah Kah Toh; Eileen Pei Jian Ng; Shunsuke Chiba","Mn(III)-Mediated Formal [3+3]-Annulation of Vinyl Azides and Cyclopropanols: A Divergent Synthesis of Azaheterocycles","Journal of the American Chemical Society","2011","133","","6411","6421","10.1021/ja200879w","","","0.71073","MoKα","","0.1339","0.1179","","","0.3607","0.37","","","","","","1.183","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106045","24.9305","0.0009","11.2301","0.0004","9.7869","0.0004","90","","109.799","0.002","90","","2578.08","0.17","200","2","200","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36.8 H83.2 Cl2 Cr2 N8 P4 -","- C36.8 H87.2 Cl2 Cr2 N8 P4 -","- C73.6 H174.4 Cl4 Cr4 N16 P8 -","2","0.25","","Khalid Albahily; Yacoob Shaikh; Elena Sebastiao; Sandro Gambarotta; Ilia Korobkov; Serge I. Gorelsky","Vinyl Oxidative Coupling as a Synthetic Route to Catalytically Active Monovalent Chromium","Journal of the American Chemical Society","2011","133","","6388","6395","10.1021/ja201003j","","","0.71073","MoKα","","0.0871","0.0717","","","0.1849","0.1968","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106046","16.3492","0.0008","9.8141","0.0005","19.5718","0.001","90","","110.647","0.003","90","","2938.6","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 Cr Li N4 O P2 -","- C24 H50 Cr Li N4 O P2 -","- C96 H200 Cr4 Li4 N16 O4 P8 -","4","1","","Khalid Albahily; Yacoob Shaikh; Elena Sebastiao; Sandro Gambarotta; Ilia Korobkov; Serge I. Gorelsky","Vinyl Oxidative Coupling as a Synthetic Route to Catalytically Active Monovalent Chromium","Journal of the American Chemical Society","2011","133","","6388","6395","10.1021/ja201003j","","","0.71073","MoKα","","0.0947","0.0524","","","0.1238","0.1422","","","","","","1.029","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106047","13.5057","0.0006","16.7235","0.0008","8.9182","0.0004","90","","90","","90","","2014.29","0.16","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H33 Cr N2 P2 -","- C15 H33 Cr N2 P2 -","- C60 H132 Cr4 N8 P8 -","4","0.5","","Khalid Albahily; Yacoob Shaikh; Elena Sebastiao; Sandro Gambarotta; Ilia Korobkov; Serge I. Gorelsky","Vinyl Oxidative Coupling as a Synthetic Route to Catalytically Active Monovalent Chromium","Journal of the American Chemical Society","2011","133","","6388","6395","10.1021/ja201003j","","","0.71073","MoKα","","0.1182","0.0741","","","0.1053","0.1158","","","","","","1.086","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106048","10.635","0.005","15.822","0.007","19.35","0.008","90","","105.545","0.007","90","","3137","2","201","2","201","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 Li2 N4 O2 P2 -","- C24 H52 Li2 N4 O2 P2 -","- C96 H208 Li8 N16 O8 P8 -","4","1","","Khalid Albahily; Yacoob Shaikh; Elena Sebastiao; Sandro Gambarotta; Ilia Korobkov; Serge I. Gorelsky","Vinyl Oxidative Coupling as a Synthetic Route to Catalytically Active Monovalent Chromium","Journal of the American Chemical Society","2011","133","","6388","6395","10.1021/ja201003j","","","0.71073","MoKα","","0.1037","0.0521","","","0.1287","0.1566","","","","","","1.024","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106049","6.2025","0.0007","15.2313","0.0016","20.73","0.002","90","","96.957","0.002","90","","1944","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 I N O2 S -","- C20 H22 I N O2 S -","- C80 H88 I4 N4 O8 S4 -","4","1","","Hui Liu; Chaolong Li; Dong Qiu; Xiaofeng Tong","Palladium-Catalyzed Cycloisomerizations of (Z)-1-Iodo-1,6-dienes: Iodine Atom Transfer and Mechanistic Insight to Alkyl Iodide Reductive Elimination","Journal of the American Chemical Society","2011","133","","6187","6193","10.1021/ja201204g","","","0.71073","MoKα","","0.0494","0.0412","","","0.1152","0.1188","","","","","","1.094","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106050","11.1599","0.0013","11.8226","0.0016","13.738","0.002","94.584","0.006","99.776","0.007","107.912","0.007","1682.7","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H31 F3 O6 P2 S3 U -","- C30 H31 F3 O6 P2 S3 U -","- C60 H62 F6 O12 P4 S6 U2 -","2","1","","Jean-Christophe Tourneux; Jean-Claude Berthet; Thibault Cantat; Pierre Thuéry; Nicolas Mézailles; Michel Ephritikhine","Exploring the Uranyl Organometallic Chemistry: From Single to Double Uranium-Carbon Bonds","Journal of the American Chemical Society","2011","133","","6162","6165","10.1021/ja201276h","","","0.71073","MoKα","","0.098","0.0682","","","0.1618","0.1763","","","","","","1.02","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106051","10.9228","0.0004","25.5141","0.0005","18.4246","0.0007","90","","99.343","0.002","90","","5066.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 O3 P4 S4 U -","- C54 H50 O3 P4 S4 U -","- C216 H200 O12 P16 S16 U4 -","4","1","","Jean-Christophe Tourneux; Jean-Claude Berthet; Thibault Cantat; Pierre Thuéry; Nicolas Mézailles; Michel Ephritikhine","Exploring the Uranyl Organometallic Chemistry: From Single to Double Uranium-Carbon Bonds","Journal of the American Chemical Society","2011","133","","6162","6165","10.1021/ja201276h","","","0.71073","MoKα","","0.041","0.0276","","","0.0532","0.0558","","","","","","1.027","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106052","10.9372","0.0007","11.7627","0.001","13.7945","0.0011","81.539","0.004","88.54","0.005","71.934","0.005","1668.4","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 N2 O2 P2 S2 U -","- C35 H30 N2 O2 P2 S2 U -","- C70 H60 N4 O4 P4 S4 U2 -","2","1","","Jean-Christophe Tourneux; Jean-Claude Berthet; Thibault Cantat; Pierre Thuéry; Nicolas Mézailles; Michel Ephritikhine","Exploring the Uranyl Organometallic Chemistry: From Single to Double Uranium-Carbon Bonds","Journal of the American Chemical Society","2011","133","","6162","6165","10.1021/ja201276h","","","0.71073","MoKα","","0.0561","0.0451","","","0.1058","0.1096","","","","","","1.064","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106053","11.0767","0.0005","11.4194","0.0005","16.1005","0.0005","98.465","0.002","104.272","0.003","111.859","0.002","1765.94","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H32.5 N2.5 O2 P2 S2 U -","- C38 H32.49 N2 O2 P2 S2 U -","- C76 H64.98 N4 O4 P4 S4 U2 -","2","1","","Jean-Christophe Tourneux; Jean-Claude Berthet; Thibault Cantat; Pierre Thuéry; Nicolas Mézailles; Michel Ephritikhine","Exploring the Uranyl Organometallic Chemistry: From Single to Double Uranium-Carbon Bonds","Journal of the American Chemical Society","2011","133","","6162","6165","10.1021/ja201276h","","","0.71073","MoKα","","0.0293","0.023","","","0.0543","0.0554","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106054","14.167","0.004","9.762","0.002","16.468","0.004","90","","92.121","0.003","90","","2275.9","1","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Br N O4 -","- C26 H24 Br N O4 -","- C104 H96 Br4 N4 O16 -","4","2","","Keiji Mori; Kensuke Ehara; Kazuki Kurihara; Takahiko Akiyama","Selective Activation of Enantiotopic C(sp3)-Hydrogen by Means of Chiral Phosphoric Acid: Asymmetric Synthesis of Tetrahydroquinoline Derivatives","Journal of the American Chemical Society","2011","133","","6166","6169","10.1021/ja2014955","","","0.71073","MoKα","","0.0625","0.0428","","","0.0839","0.0904","","","","","","0.975","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106055","9.0827","0.0012","11.2356","0.0014","18.831","0.002","90","","90","","90","","1921.7","0.4","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O4 -","- C21 H22 Br N O4 -","- C84 H88 Br4 N4 O16 -","4","1","","Keiji Mori; Kensuke Ehara; Kazuki Kurihara; Takahiko Akiyama","Selective Activation of Enantiotopic C(sp3)-Hydrogen by Means of Chiral Phosphoric Acid: Asymmetric Synthesis of Tetrahydroquinoline Derivatives","Journal of the American Chemical Society","2011","133","","6166","6169","10.1021/ja2014955","","","0.71073","MoKα","","0.0311","0.0278","","","0.0642","0.0653","","","","","","1.003","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106056","9.8401","0.0003","13.327","0.0004","13.9118","0.0004","85.14","0.002","82.484","0.001","80.871","0.001","1781.98","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","1-Hydroxy-1-(4-cyanophenyl))methyldiphenylphosphine-borane","","- C20 H19 B N O P -","- C20 H19 B N O P -","- C80 H76 B4 N4 O4 P4 -","4","2","","Gabriella Barozzino Consiglio; Pierre Queval; Anne Harrison-Marchand; Alessandro Mordini; Jean-François Lohier; Olivier Delacroix; Annie-Claude Gaumont; Hélène Gérard; Jacques Maddaluno; Hassan Oulyadi","Ph2P(BH3)Li: From Ditopicity to Dual Reactivity","Journal of the American Chemical Society","2011","133","","6472","6480","10.1021/ja201760c","","","0.71073","MoKα","","0.0485","0.0409","","","0.113","0.12","","","","","","1.043","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106057","34.983","0.003","14.0674","0.0012","24.973","0.002","90","","94","0.005","90","","12259.8","1.8","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C147 H126 Cl6 N4 P8 Ru2 -","- C147 H126 Cl6 N4 P8 Ru2 -","- C588 H504 Cl24 N16 P32 Ru8 -","4","0.5","","Emmanuel Di Piazza; Lucie Norel; Karine Costuas; Adrien Bourdolle; Olivier Maury; Stéphane Rigaut","d-f Heterobimetallic Association between Ytterbium and Ruthenium Carbon-Rich Complexes: Redox Commutation of Near-IR Luminescence","Journal of the American Chemical Society","2011","133","","6174","6176","10.1021/ja2023515","","x-ray","0.71073","MoKα","","0.0925","0.0657","","","0.1769","0.1965","","","","","","1.064","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106058","34.9026","0.0013","11.1394","0.0004","25.5872","0.001","90","","124.259","0.001","90","","8222.2","0.5","113.1","","113.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N2 O2 Pt -","- C22 H26 N2 O2 Pt -","- C352 H416 N32 O32 Pt16 -","16","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0643","","","","0.0829","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106059","13.0042","0.0005","13.5725","0.0006","14.1166","0.0007","103.615","0.0014","102.927","0.0013","114.034","0.0012","2063.3","0.16","113.1","","113.1","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 N2 O2 Pt -","- C23 H28 N2 O2 Pt -","- C92 H112 N8 O8 Pt4 -","4","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0273","","","","0.0561","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106060","12.8077","0.0006","27.0706","0.0013","13.9033","0.0007","90","","113.592","0.0011","90","","4417.5","0.4","113.1","","113.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O2 Pt -","- C24 H30 N2 O2 Pt -","- C192 H240 N16 O16 Pt8 -","8","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0791","","","","0.1791","","","","","","1.192","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106061","12.8355","0.0012","28.543","0.003","13.7826","0.0013","90","","113.5","0.002","90","","4630.6","0.8","113.1","","113.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N2 O2 Pt -","- C25 H32 N2 O2 Pt -","- C200 H256 N16 O16 Pt8 -","8","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0822","","","","0.2288","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106062","11.9052","0.0007","18.6426","0.0012","21.9089","0.0012","90","","100.391","0.0018","90","","4782.8","0.5","113.1","","113.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 N2 O2 Pt -","- C26 H34 N2 O2 Pt -","- C208 H272 N16 O16 Pt8 -","8","1","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0219","","","","0.0515","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106063","10.9034","0.0004","19.6605","0.0007","23.3795","0.001","90","","94.0904","0.0013","90","","4999","0.3","113.1","","113.1","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H36 N2 O2 Pt -","- C27 H36 N2 O2 Pt -","- C216 H288 N16 O16 Pt8 -","8","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.025","","","","0.0615","","","","","","0.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106064","19.5975","0.0012","28.5314","0.0016","17.758","0.0011","90","","152.238","0.0008","90","","4625.1","0.5","113","","113","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H27 N2 O5.5 Pt -","- C22 H26 N2 O5.5 Pt -","- C176 H208 N16 O44 Pt8 -","8","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0313","","","","0.0661","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106065","25.822","0.002","10.3809","0.0009","19.6309","0.0016","90","","115.151","0.002","90","","4763.3","0.7","113.1","","113.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 N2 O6 Pt -","- C24 H30 N2 O6 Pt -","- C192 H240 N16 O48 Pt8 -","8","1","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0423","","","","0.088","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106066","18.5211","0.0007","5.4679","0.0002","15.7398","0.0006","90","","116.021","0.0012","90","","1432.42","0.09","96","","96","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O2 Pt -","- C16 H16 N2 O2 Pt -","- C64 H64 N8 O8 Pt4 -","4","1","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0244","","","","0.1405","","","","","","1.406","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106067","11.4352","0.0004","13.2","0.0004","20.9102","0.0007","90","","103.834","0.001","90","","3064.73","0.18","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 B Mo N7 P -","- C27.35 H36 B Mo N7 P -","- C109.4 H144 B4 Mo4 N28 P4 -","4","1","","Oleg G. Shirobokov; Lyudmila G. Kuzmina; Georgii I. Nikonov","Nonhydride Mechanism of Metal-Catalyzed Hydrosilylation","Journal of the American Chemical Society","2011","133","","6487","6489","10.1021/ja111748u","","","0.71073","MoKα","","0.0541","0.0431","","","0.117","0.1235","","","","","","1.09","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106068","14.942","0.0005","19.918","0.0008","25.3474","0.0009","85.831","0.002","89.63","0.002","88.845","0.002","7522.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Sc2S@Cs(6)-C82.Ni(OEP).2benzene","","","- C130 H56 N4 Ni S Sc2 -","- C130 H56 N4 Ni S Sc2 -","- C520 H224 N16 Ni4 S4 Sc8 -","4","2","","Brandon Q. Mercado; Ning Chen; Antonio Rodríguez-Fortea; Mary A. Mackey; Steven Stevenson; Luis Echegoyen; Josep M. Poblet; Marilyn M. Olmstead; Alan L. Balch","The Shape of the Sc2(μ2-S) Unit Trapped in C82: Crystallographic, Computational, and Electrochemical Studies of the Isomers, Sc2(μ2-S)@Cs(6)-C82 and Sc2(μ2-S)@C3v(8)-C82","Journal of the American Chemical Society","2011","133","","6752","6760","10.1021/ja200289w","","","0.7749","synchrotron","","0.0869","0.0749","","","0.2027","0.2202","","","","","","1.072","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106069","14.697","0.002","14.756","0.002","20.104","0.003","84.042","0.009","84.611","0.009","61.109","0.008","3791.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Sc2S@C3v(8)-C84.Ni(OEP).2(benzene)","","","- C130 H56 N4 Ni S Sc2 -","- C130 H56 N4 Ni S Sc2 -","- C260 H112 N8 Ni2 S2 Sc4 -","2","1","","Brandon Q. Mercado; Ning Chen; Antonio Rodríguez-Fortea; Mary A. Mackey; Steven Stevenson; Luis Echegoyen; Josep M. Poblet; Marilyn M. Olmstead; Alan L. Balch","The Shape of the Sc2(μ2-S) Unit Trapped in C82: Crystallographic, Computational, and Electrochemical Studies of the Isomers, Sc2(μ2-S)@Cs(6)-C82 and Sc2(μ2-S)@C3v(8)-C82","Journal of the American Chemical Society","2011","133","","6752","6760","10.1021/ja200289w","","","0.7749","synchrotron","","0.1915","0.1126","","","0.2936","0.345","","","","","","1.065","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106070","9.252","0.003","24.067","0.008","17.032","0.006","90","","96.5948","0.0013","90","","3767","2","103.15","","103","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H41 F3 O7 P2 Pd S -","- C37 H41 F3 O7 P2 Pd S -","- C148 H164 F12 O28 P8 Pd4 S4 -","4","1","","Akifumi Nakamura; Kagehiro Munakata; Shingo Ito; Takuya Kochi; Lung Wa Chung; Keiji Morokuma; Kyoko Nozaki","Pd-Catalyzed Copolymerization of Methyl Acrylate with Carbon Monoxide: Structures, Properties and Mechanistic Aspects toward Ligand Design","Journal of the American Chemical Society","2011","133","","6761","6779","10.1021/ja2003268","","","0.7107","MoKα","","0.031","0.0285","","","0.0619","0.0635","","","","","","1.048","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106071","28.6545","0.0018","24.5738","0.0014","17.0791","0.0011","90","","95.935","0.002","90","","11961.8","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(Kcrypt)4[SbGe8-Ge8Sb] 3en","","- C78 H166 Ge16 K4 N14 O24 Sb2 -","- C78 H166 Ge16 K4 N14 O24 Sb2 -","- C312 H664 Ge64 K16 N56 O96 Sb8 -","4","1","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.1403","0.0745","","","0.1826","0.2159","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106072","14.8186","0.0006","21.0218","0.0008","22.1137","0.0009","90","","131.022","0.002","90","","5197.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(K(18-c-6))4[SbGe8-Ge8Sb] 4en","","- C58 H134 Ge16 K4 N10 O24 Sb2 -","- C58 H134 Ge16 K4 N10 O24 Sb2 -","- C116 H268 Ge32 K8 N20 O48 Sb4 -","2","0.5","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.1193","0.0557","","","0.1158","0.1393","","","","","","1.022","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106073","33.1657","0.0018","13.9299","0.0007","10.5431","0.0006","90","","90","","90","","4870.9","0.5","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","(Rb(18-crown-6))2[SbGe7-Ge7Sb] 1en","","- C26 H56 Ge7 N2 O12 Rb2 Sb2 -","- C26 H56 Ge6.99 N2 O12 Rb2 Sb2.01 -","- C104 H224 Ge27.96 N8 O48 Rb8 Sb8.04 -","4","0.5","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.0861","0.0736","","","0.1713","0.1796","","","","","","1.06","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106074","12.9472","0.0009","16.5696","0.0009","16.5832","0.0009","81.879","0.003","69.709","0.002","84.921","0.003","3300.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(K-crypt)2[SbGe8-SbPh2]","","- C48 H82 Ge8 K2 N4 O12 Sb2 -","- C48 H82 Ge8 K2 N4 O12 Sb2 -","- C96 H164 Ge16 K4 N8 O24 Sb4 -","2","1","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.0646","0.0462","","","0.1019","0.1133","","","","","","1.033","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106075","15.347","0.003","21.923","0.005","17.287","0.003","90","","90.963","0.011","90","","5815","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(K(18-crown-6))4[BiGe8-Ge8Bi] 5en","","- C58 H136 Bi2 Ge16 K4 N10 O24 -","- C58 H136 Bi2 Ge16 K4 N10 O24 -","- C116 H272 Bi4 Ge32 K8 N20 O48 -","2","0.5","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.1446","0.0617","","","0.1381","0.1822","","","","","","1.006","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106076","11.8075","0.0008","11.2012","0.0007","21.5365","0.0014","90","","91.853","0.004","90","","2846.9","0.3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","(K-crypt)2[SbGe8-CHCH2]","","- C38 H75 Ge8 K2 N4 O12 Sb -","- C38 H75 Ge8 K2 N4 O12 Sb -","- C76 H150 Ge16 K4 N8 O24 Sb2 -","2","0.5","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.1332","0.0988","","","0.2185","0.2318","","","","","","1.19","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106077","9.8","0.004","9.819","0.004","21.005","0.008","79.398","0.011","80.237","0.011","79.763","0.012","1935.4","1.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 F3 N O2 -","- C24 H18 F3 N O2 -","- C96 H72 F12 N4 O8 -","4","2","","Itaru Nakamura; Toshiharu Araki; Masahiro Terada","Five-Bond Cleavage in Copper-Catalyzed Skeletal Rearrangement of O-Propargyl Arylaldoximes to β-Lactams","Journal of the American Chemical Society","2011","133","","6861","6861","10.1021/ja201074e","","","0.7107","MoKα","","","0.0603","","","","0.1783","","","","","","1.098","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106078","12.635","0.004","14.492","0.004","19.962","0.006","90","","90","","90","","3655.2","1.9","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N O -","- C24 H19 N O -","- C192 H152 N8 O8 -","8","1","","Itaru Nakamura; Dong Zhang; Masahiro Terada","Copper-Catalyzed Tandem [2,3]-Rearrangement and 6π-3-Azatriene Electrocyclization in (E)-O-Propargylic α,β-Unsaturated Oximes","Journal of the American Chemical Society","2011","133","","6862","6862","10.1021/ja201076c","","","0.7107","MoKα","","","0.1055","","","","0.1683","","","","","","1.42","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106079","14.227","0.003","14.836","0.003","24.446","0.005","73.894","0.003","76.732","0.003","68.275","0.003","4558.5","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C122 H81.2 Ag Cl12 P -","- C122 H81.2 Ag Cl12 P -","- C244 H162.4 Ag2 Cl24 P2 -","2","1","","Merissa Halim; Robert D. Kennedy; Mitsuharu Suzuki; Saeed I. Khan; Paula L. Diaconescu; Yves Rubin","Complexes of Gold(I), Silver(I), and Copper(I) with Pentaaryl[60]fullerides","Journal of the American Chemical Society","2011","133","","6841","6851","10.1021/ja201297r","","","0.71073","MoKα","","0.1162","0.0879","","","0.219","0.2422","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106080","26","0.004","24.254","0.004","28.202","0.004","90","","94.136","0.002","90","","17738","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C133 H87 Ag O0.5 P -","- C133 H87 Ag O0.5 P -","- C1064 H696 Ag8 O4 P8 -","8","2","","Merissa Halim; Robert D. Kennedy; Mitsuharu Suzuki; Saeed I. Khan; Paula L. Diaconescu; Yves Rubin","Complexes of Gold(I), Silver(I), and Copper(I) with Pentaaryl[60]fullerides","Journal of the American Chemical Society","2011","133","","6841","6851","10.1021/ja201297r","","","0.71073","MoKα","","0.147","0.0692","","","0.1615","0.1983","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106081","17.674","0.004","23.521","0.005","18.549","0.004","90","","96.942","0.003","90","","7654","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C116 H50 Cu P S6 -","- C116 H50 Cu P S6 -","- C464 H200 Cu4 P4 S24 -","4","1","","Merissa Halim; Robert D. Kennedy; Mitsuharu Suzuki; Saeed I. Khan; Paula L. Diaconescu; Yves Rubin","Complexes of Gold(I), Silver(I), and Copper(I) with Pentaaryl[60]fullerides","Journal of the American Chemical Society","2011","133","","6841","6851","10.1021/ja201297r","","","0.71073","MoKα","","0.1021","0.0546","","","0.1262","0.1502","","","","","","1.009","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106082","15.9694","0.0013","16.1495","0.0014","20.9835","0.0018","81.018","0.001","83.415","0.001","63.649","0.001","4783.5","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C131 H83 Cl9 Cu P -","- C131 H83 Cl9 Cu P -","- C262 H166 Cl18 Cu2 P2 -","2","1","","Merissa Halim; Robert D. Kennedy; Mitsuharu Suzuki; Saeed I. Khan; Paula L. Diaconescu; Yves Rubin","Complexes of Gold(I), Silver(I), and Copper(I) with Pentaaryl[60]fullerides","Journal of the American Chemical Society","2011","133","","6841","6851","10.1021/ja201297r","","","0.71073","MoKα","","0.1747","0.0661","","","0.1453","0.1761","","","","","","0.827","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106083","9.3456","0.0006","10.2047","0.0006","12.7683","0.0008","90","","110.344","0.0007","90","","1141.75","0.12","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N4 O5 -","- C26 H24 N4 O5 -","- C52 H48 N8 O10 -","2","1","","John E. DeLorbe; Salman Y. Jabri; Steven M. Mennen; Larry E. Overman; Fang-Li Zhang","Enantioselective Total Synthesis of (+)-Gliocladine C: Convergent Construction of Cyclotryptamine-Fused Polyoxopiperazines and a General Approach for Preparing Epidithiodioxopiperazines from Trioxopiperazine Precursors","Journal of the American Chemical Society","2011","133","","6549","6552","10.1021/ja201789v","","","0.71073","MoKα","","0.0472","0.0439","","","0.1156","0.1184","","","","","","1.054","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106084","17.4546","0.0011","11.202","0.0007","29.432","0.0019","90","","105.571","0.0008","90","","5543.5","0.6","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H25 Cl3 N4 O4 S2 -","- C26.5 H25 Cl3 N4 O4 S2 -","- C212 H200 Cl24 N32 O32 S16 -","8","2","","John E. DeLorbe; Salman Y. Jabri; Steven M. Mennen; Larry E. Overman; Fang-Li Zhang","Enantioselective Total Synthesis of (+)-Gliocladine C: Convergent Construction of Cyclotryptamine-Fused Polyoxopiperazines and a General Approach for Preparing Epidithiodioxopiperazines from Trioxopiperazine Precursors","Journal of the American Chemical Society","2011","133","","6549","6552","10.1021/ja201789v","","","0.71073","MoKα","","0.0703","0.0573","","","0.1607","0.1729","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106085","15.948","0.002","4.6845","0.0007","30.67","0.004","90","","97.887","0.002","90","","2269.6","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55.64 H40.71 N4.94 O3.88 -","- C55.652 H40.71 N4.942 O3.884 -","- C111.304 H81.42 N9.884 O7.768 -","2","0.5","","Sandipan Dawn; Mahender B. Dewal; David Sobransingh; Monissa C. Paderes; Arief C. Wibowo; Mark D. Smith; Jeanette A. Krause; Perry J. Pellechia; Linda S. Shimizu","Self-Assembled Phenylethynylene Bis-urea Macrocycles Facilitate the Selective Photodimerization of Coumarin","Journal of the American Chemical Society","2011","133","","7025","7032","10.1021/ja110779h","","","0.7749","synchrotron","","0.0905","0.0715","","","0.2127","0.2266","","","","","","1.116","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106086","15.8778","0.0003","16.467","0.0003","17.9466","0.0003","88.0272","0.0008","72.4209","0.0008","69.9804","0.0007","4190.42","0.13","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","C60(tBuC6H4)5CoS3(C6H6)2.5","","- C125 H80 Co S3 -","- C125 H80 Co S3 -","- C250 H160 Co2 S6 -","2","1","","Masashi Maruyama; Jing-Dong Guo; Shigeru Nagase; Eiichi Nakamura; Yutaka Matsuo","Isolation of Planar Four-Membered Aromatic Systems by Using Confined Spaces of Cobalt Pentaaryl[60]fullerene Complexes","Journal of the American Chemical Society","2011","133","","6890","6893","10.1021/ja111474v","","","1.54187","CuKα","","0.1642","0.097","","","0.2134","0.2668","","","","","","1.084","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106087","16.3208","0.0003","16.8986","0.0004","17.3102","0.0005","81.841","0.002","69.7535","0.0017","73.2243","0.0015","4283.83","0.19","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C126 H85 Co S3 -","- C126 H85 Co S3 -","- C252 H170 Co2 S6 -","2","1","","Masashi Maruyama; Jing-Dong Guo; Shigeru Nagase; Eiichi Nakamura; Yutaka Matsuo","Isolation of Planar Four-Membered Aromatic Systems by Using Confined Spaces of Cobalt Pentaaryl[60]fullerene Complexes","Journal of the American Chemical Society","2011","133","","6890","6893","10.1021/ja111474v","","","1.54187","CuKα","","0.0801","0.0618","","","0.173","0.1815","","","","","","1.184","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106088","15.7683","0.0006","16.2029","0.0006","18.0541","0.0007","72.451","0.002","66.762","0.002","86.709","0.003","4031.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C124 H81 Co S2 -","- C124 H81 Co S2 -","- C248 H162 Co2 S4 -","2","1","","Masashi Maruyama; Jing-Dong Guo; Shigeru Nagase; Eiichi Nakamura; Yutaka Matsuo","Isolation of Planar Four-Membered Aromatic Systems by Using Confined Spaces of Cobalt Pentaaryl[60]fullerene Complexes","Journal of the American Chemical Society","2011","133","","6890","6893","10.1021/ja111474v","","","1.54187","CuKα","","0.2727","0.1132","","","0.2291","0.2838","","","","","","1.066","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106089","12.7155","0.0015","16.2674","0.0018","23.822","0.003","90","","96.242","0.002","90","","4898.3","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H68 N3 P Si6 U -","- C37 H68 N3 P Si6 U -","- C148 H272 N12 P4 Si24 U4 -","4","1","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","Synthesis of a Phosphorano-Stabilized U(IV)-Carbene via One-Electron Oxidation of a U(III)-Ylide Adduct","Journal of the American Chemical Society","2011","133","","6894","6897","10.1021/ja2001133","","","0.71073","MoKα","","0.0821","0.0439","","","0.0922","0.1017","","","","","","0.985","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106090","10.822","0.009","11.711","0.01","19.296","0.016","83.326","0.013","89.784","0.014","83.18","0.012","2412","4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H70 N3 P Si6 U -","- C37 H70 N3 P Si6 U -","- C74 H140 N6 P2 Si12 U2 -","2","1","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","Synthesis of a Phosphorano-Stabilized U(IV)-Carbene via One-Electron Oxidation of a U(III)-Ylide Adduct","Journal of the American Chemical Society","2011","133","","6894","6897","10.1021/ja2001133","","","0.71073","MoKα","","0.0809","0.0496","","","0.0998","0.1091","","","","","","0.923","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106091","9.425","0.01","9.633","0.007","19.58","0.02","101.9","0.07","98.01","0.07","103.41","0.06","1659","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 Li2 N6 -","- C36 H48 Li2 N6 -","- C72 H96 Li4 N12 -","2","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.1807","0.0862","","","0.1509","0.1905","","","","","","1.112","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106092","11.638","0.0014","10.9616","0.0013","20.954","0.003","90","","102.795","0.013","90","","2606.7","0.6","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Li2 N4 -","- C30 H34 Li2 N4 -","- C120 H136 Li8 N16 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.1171","0.044","","","0.0728","0.0866","","","","","","0.843","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106093","9.9517","0.0006","9.9517","0.0006","21.757","0.002","90","","90","","120","","1866.1","0.2","140","2","140","2","","","","","","","","5","P 31","P 31","144","","","","- C28 H35 Li N2 O2 -","- C28 H35 Li N2 O2 -","- C84 H105 Li3 N6 O6 -","3","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.088","0.0548","","","0.0957","0.1046","","","","","","0.944","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106094","11.674","0.002","14.028","0.003","14.417","0.003","90","","110.7","0.03","90","","2208.6","0.9","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 Cl2 Mg2 N4 O2 -","- C48 H54 Cl2 Mg2 N4 O2 -","- C96 H108 Cl4 Mg4 N8 O4 -","2","0.5","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.1218","0.0693","","","0.1559","0.182","","","","","","1.136","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106095","9.949","0.0008","12.5384","0.0019","14.8903","0.0016","113.657","0.01","91.947","0.007","111.582","0.008","1545.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14.5 H17 Cl2 N3 Ni -","- C14.5 H17 Cl2 N3 Ni -","- C58 H68 Cl8 N12 Ni4 -","4","2","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0822","0.0724","","","0.2213","0.2285","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106096","25.079","0.005","8.783","0.0018","16.494","0.003","90","","101.76","0.03","90","","3556.9","1.3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Cl N3 Ni -","- C18 H24 Cl N3 Ni -","- C144 H192 Cl8 N24 Ni8 -","8","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.078","0.052","","","0.1098","0.1208","","","","","","1.12","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106097","24.052","0.003","12.1888","0.0018","8.7468","0.0012","90","","90","","90","","2564.3","0.6","140","2","140","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H34 N4 Ni -","- C30 H34 N4 Ni -","- C120 H136 N16 Ni4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.096","0.0486","","","0.0815","0.0916","","","","","","0.906","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106098","14.755","0.003","10.848","0.002","20.482","0.004","90","","95.92","0.03","90","","3260.9","1.1","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cl N2 Ni P -","- C38 H36 Cl N2 Ni P -","- C152 H144 Cl4 N8 Ni4 P4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0739","0.0542","","","0.1226","0.132","","","","","","0.995","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106099","9.209","0.0018","11.415","0.002","25.719","0.005","90","","90","","90","","2703.6","0.9","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 Cl N4 Ni -","- C30 H29 Cl N4 Ni -","- C120 H116 Cl4 N16 Ni4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0442","0.0423","","","0.104","0.106","","","","","","1.112","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106100","11.3515","0.0005","13.3682","0.0012","19.724","0.002","90","","90","","90","","2993.1","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Cl N4 Ni -","- C32 H33 Cl N4 Ni -","- C128 H132 Cl4 N16 Ni4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0389","0.0306","","","0.0568","0.0599","","","","","","1.091","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106101","8.652","0.0017","13.343","0.003","17.759","0.004","90","","100.48","0.03","90","","2016","0.8","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl N3 Ni -","- C21 H24 Cl N3 Ni -","- C84 H96 Cl4 N12 Ni4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0924","0.0735","","","0.1793","0.1913","","","","","","1.143","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106102","11.049","0.003","27.593","0.003","13.867","0.003","90","","92.802","0.015","90","","4222.6","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl N3 Ni -","- C22 H26 Cl N3 Ni -","- C176 H208 Cl8 N24 Ni8 -","8","2","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0794","0.0655","","","0.16","0.172","","","","","","1.17","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106103","15.2003","0.0016","16.024","0.003","19.873","0.004","90","","90","","90","","4840.5","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H28 Cl N3 Ni -","- C27 H28 Cl N3 Ni -","- C216 H224 Cl8 N24 Ni8 -","8","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0811","0.0502","","","0.0906","0.1022","","","","","","1.236","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106104","8.848","0.004","13.727","0.005","11.346","0.005","90","0.002","111.621","0.002","90","0.002","1281.1","0.9","153.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Hiroki Oguri; Takahisa Hiruma; Yutaka Yamagishi; Hideaki Oikawa; Aki Ishiyama; Kazuhiko Otoguro; Haruki Yamada; Satoshi Ōmura","Generation of Anti-trypanosomal Agents through Concise Synthesis and Structural Diversification of Sesquiterpene Analogues","Journal of the American Chemical Society","2011","133","","7096","7105","10.1021/ja200374q","","","0.7107","MoKα","","","0.0484","","","","0.1367","","","","","","1.349","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106105","8.15817","0.00015","12.4378","0.0002","13.4449","0.0003","90","","90","","90","","1364.25","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,4aS,8R,8aS)-8-hydroxy-4'-methyl-3,4,4a,5,6,7,8,8a- octahydro-2H-spiro[naphthalene-1,6'-[1,2]oxazine]-4a-carbonitrile","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Hiroki Oguri; Takahisa Hiruma; Yutaka Yamagishi; Hideaki Oikawa; Aki Ishiyama; Kazuhiko Otoguro; Haruki Yamada; Satoshi Ōmura","Generation of Anti-trypanosomal Agents through Concise Synthesis and Structural Diversification of Sesquiterpene Analogues","Journal of the American Chemical Society","2011","133","","7096","7105","10.1021/ja200374q","","","1.54187","CuKα","","0.0368","0.0317","","","0.0719","0.0778","","","","","","1.126","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106106","11.1899","0.0018","39.912","0.007","14.267","0.002","90","","92.541","0.013","90","","6365.5","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65.05 H85.15 Cl1.95 N3 O9.35 Ru3 -","- C65.05 H85.15 Cl1.95 N3 O9.35 Ru3 -","- C260.2 H340.6 Cl7.8 N12 O37.4 Ru12 -","4","1","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0581","0.0449","","","0.0779","0.0825","","","","","","1.17","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106107","12.8074","0.001","17.1174","0.0015","19.0333","0.0013","104.466","0.007","92.224","0.006","111.419","0.008","3722","0.6","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C67.6 H64.6 Cl4.8 N3 O9 Ru3 -","- C67.6 H64.6 Cl4.8 N3 O9 Ru3 -","- C135.2 H129.2 Cl9.6 N6 O18 Ru6 -","2","1","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1507","0.1015","","","0.2896","0.3137","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106108","11.7185","0.0006","13.5985","0.0008","21.1648","0.0008","93.476","0.004","96.109","0.004","114.941","0.005","3019.9","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H58 Cl3 N3 O9 Ru3 -","- C64 H58 Cl3 N3 O9 Ru3 -","- C128 H116 Cl6 N6 O18 Ru6 -","2","1","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0339","0.0303","","","0.0864","0.0885","","","","","","1.048","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106109","43.312","0.005","20.595","0.002","40.698","0.004","90","","111.009","0.012","90","","33890","7","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C270 H250 Cl30 N24 O24 Ru12 -","- C260 H240 N24 O24 Ru12 -","- C1040 H960 N96 O96 Ru48 -","4","0.5","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1857","0.126","","","0.2857","0.3008","","","","","","1.479","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106110","46.782","0.01","21.66","0.007","43.661","0.01","90","","113.095","0.012","90","","40696","19","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C302 H320 N24 O34 Ru12 -","- C291.992 H280 N24 O24 Ru12 -","- C1167.97 H1120 N96 O96 Ru48 -","4","0.5","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1029","0.08","","","0.2125","0.2273","","","","","","1.057","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106111","25.854","0.003","18.338","0.003","35.306","0.005","90","","94.407","0.008","90","","16689","4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C238 H292 F2 N28 O34 Ru12 -","- C238 H292 F2 N28 O34 Ru12 -","- C476 H584 F4 N56 O68 Ru24 -","2","0.5","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1872","0.1109","","","0.2969","0.3457","","","","","","1.028","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106112","32.975","0.003","43.449","0.009","27.608","0.004","90","","90","","90","","39555","11","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C224 H248 Cl60 N28 O24 Ru12 -","- C214 H238 Cl30 N28 O24 Ru12 -","- C856 H952 Cl120 N112 O96 Ru48 -","4","0.5","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1974","0.1557","","","0.3628","0.3772","","","","","","2.233","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106113","18.703","0.004","18.732","0.004","23.369","0.005","89.61","0.03","72.09","0.03","77.26","0.03","7582","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H135 N15 O12 Ru6 -","- C123 H135 N15 O12 Ru6 -","- C246 H270 N30 O24 Ru12 -","2","1","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1524","0.1307","","","0.339","0.3627","","","","","","1.305","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106114","20.034","0.003","20.034","0.003","91.487","0.018","90","","90","","120","","31800","9","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C124 H134 Cl12 N12 O14 Ru6 -","- C124.02 H130.02 Cl12.06 N12 O14 Ru6 -","- C744.12 H780.12 Cl72.36 N72 O84 Ru36 -","6","0.166667","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.187","0.1375","","","0.3449","0.3832","","","","","","1.278","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106115","20.279","0.004","20.279","0.004","62.756","0.005","90","","90","","120","","22350","6","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C109 H125 Cl21 N12 O14 Ru6 -","- C109 H121 Cl21 N12 O14 Ru6 -","- C654 H726 Cl126 N72 O84 Ru36 -","6","0.166667","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0996","0.0617","","","0.1605","0.1949","","","","","","1.118","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106116","16.332","0.002","16.332","0.002","47.642","0.01","90","","90","","120","","11005","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H88.5 F0.5 N6 O7 Ru3 -","- C84 H88.5 F0.51 N6 O7 Ru3 -","- C504 H531 F3.06 N36 O42 Ru18 -","6","0.333333","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0725","0.0467","","","0.1052","0.119","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106117","20.5269","0.0003","20.5269","0.0003","20.5269","0.0003","90","","90","","90","","8649.1","0.2","140","2","140","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C84 H83 F N6 O6 Ru3 -","- C84 H83.01 F0.99 N6 O6 Ru3 -","- C336 H332.04 F3.96 N24 O24 Ru12 -","4","0.333333","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0987","0.0637","","","0.1438","0.1558","","","","","","0.996","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106118","16.4846","0.0012","7.6746","0.0005","13.0858","0.001","90","","112.595","0.009","90","","1528.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F3 N3 O2 -","- C16 H12 F3 N3 O2 -","- C64 H48 F12 N12 O8 -","4","1","","Jun Zhou; Jianjun He; Binjie Wang; Weijun Yang; Hongjun Ren","1,7-Palladium Migration via C-H Activation, Followed by Intramolecular Amination: Regioselective Synthesis of Benzotriazoles","Journal of the American Chemical Society","2011","133","","6868","6870","10.1021/ja2007438","","","1.54184","CuKα","","0.0783","0.0477","","","0.1263","0.144","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106119","10.9639","0.0005","20.6081","0.001","21.6433","0.0013","90","","101.468","0.003","90","","4792.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","La2@C80(CClPh)","La2@C80(CClPh)","","- C93 H9 Cl3 La2 -","- C93 H9 Cl3 La2 -","- C372 H36 Cl12 La8 -","4","1","","Midori O. Ishitsuka; Shogo Sano; Haruka Enoki; Satoru Sato; Hidefumi Nikawa; Takahiro Tsuchiya; Zdenek Slanina; Naomi Mizorogi; Michael T. H. Liu; Takeshi Akasaka; Shigeru Nagase","Regioselective Bis-functionalization of Endohedral Dimetallofullerene, La2@C80: Extremal La-La Distance","Journal of the American Chemical Society","2011","133","","7128","7134","10.1021/ja200903q","","x-ray","0.9983","synchrotron","","0.1626","0.1299","","","0.3638","0.3825","","","","","","1.021","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106120","10.948","0.002","23.752","0.004","21.215","0.004","90","","96.123","0.007","90","","5485.2","1.7","120","","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","La2@C80(CClPh)(Ad)","","","- C104 H27 Cl La2 -","- C104 H27 Cl La2 -","- C416 H108 Cl4 La8 -","4","1","","Midori O. Ishitsuka; Shogo Sano; Haruka Enoki; Satoru Sato; Hidefumi Nikawa; Takahiro Tsuchiya; Zdenek Slanina; Naomi Mizorogi; Michael T. H. Liu; Takeshi Akasaka; Shigeru Nagase","Regioselective Bis-functionalization of Endohedral Dimetallofullerene, La2@C80: Extremal La-La Distance","Journal of the American Chemical Society","2011","133","","7128","7134","10.1021/ja200903q","","","0.71075","MoKα","","0.0987","0.0571","","","0.1203","0.1324","","","","","","1.03","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106121","8.5255","0.0002","10.0064","0.0002","28.4762","0.0005","90","","90","","90","","2429.29","0.09","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-Benzoic acid 4-(diethoxyphosphorylmethylene)-1- (toluene-4-sulfonyl)pyrrolidin-3-yl ester","","- C23 H28 N O7 P S -","- C23 H28 N O7 P S -","- C92 H112 N4 O28 P4 S4 -","4","1","","Kengo Masuda; Norifumi Sakiyama; Rie Tanaka; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Enantioselective Cyclizations of γ-Alkynylaldehydes with Acyl Phosphonates: Ligand- and Substituent-Controlled C-P or C-H Bond Cleavage","Journal of the American Chemical Society","2011","133","","6918","6921","10.1021/ja201337x","","","1.54187","CuKα","","0.0442","0.0393","","","0.1066","0.1127","","","","","","0.993","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106122","6.6817","0.0005","14.4877","0.0009","14.9056","0.001","90","","90","","90","","1442.9","0.17","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H17 N5 O6 -","- C12 H17 N5 O6 -","- C48 H68 N20 O24 -","4","1","","Dongwon Shin; Yitzhak Tor","Bifacial Nucleoside as a Surrogate for Both T and A in Duplex DNA","Journal of the American Chemical Society","2011","133","","6926","6929","10.1021/ja201397e","","","1.54184","CuKα","","0.0346","0.0336","","","0.0926","0.0934","","","","","","1.085","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106123","16.5765","0.0004","16.5765","0.0004","19.2519","0.001","90","","90","","90","","5290","0.3","293","2","293","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- K20 Nb28 O120 Si2 -","- K20 Nb28 O120 Si2 -","- K40 Nb56 O240 Si4 -","2","0.125","","Zhenyu Zhang; Qipu Lin; Dharmalingam Kurunthu; Tao Wu; Fan Zuo; Shou-Tian Zheng; Christopher J. Bardeen; Xianhui Bu; Pingyun Feng","Synthesis and Photocatalytic Properties of a New Heteropolyoxoniobate Compound: K10[Nb2O2(H2O)2][SiNb12O40].12H2O","Journal of the American Chemical Society","2011","133","","6934","6937","10.1021/ja201670x","","","0.71073","MoKα","","0.0804","0.0723","","","0.1967","0.2025","","","","","","1.048","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106124","38.458","0.002","5.8962","0.0002","18.4814","0.0014","90","","114.828","0.009","90","","3803.4","0.5","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H19.5 Cl2 N O1.25 -","- C20 H19.5 Cl2 N O1.25 -","- C160 H156 Cl16 N8 O10 -","8","2","","Chu-Hung Wei; Subramaniyan Mannathan; Chien-Hong Cheng","Enantioselective Synthesis of β-Substituted Cyclic Ketones via Cobalt-Catalyzed Asymmetric Reductive Coupling of Alkynes with Alkenes","Journal of the American Chemical Society","2011","133","","6942","6944","10.1021/ja201827j","","","1.54178","CuKα","","0.0589","0.0452","","","0.1197","0.1286","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106125","21.1577","0.0003","21.1577","0.0003","17.4764","0.0002","90","","90","","120","","6775.16","0.16","133","2","133","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C18 H15 Rb -","- C18 H15 Rb -","- C324 H270 Rb18 -","18","1","","Sven Krieck; Robert Kretschmer; Helmar Görls; Matthias Westerhausen","Rubidium-Mediated Birch-Type Reduction of 1,2-Diphenylbenzene in Tetrahydrofuran","Journal of the American Chemical Society","2011","133","","6960","6963","10.1021/ja2018527","","","0.71073","MoKα","","0.0905","0.0595","","","0.152","0.1741","","","","","","1.113","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106126","15.577","0.003","9.8472","0.0016","17.36","0.003","90","","92.0403","0.0007","90","","2661.2","0.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound1","dibenzoborole","","- C30 H38 B N O -","- C30 H38 B N O -","- C120 H152 B4 N4 O4 -","4","1","","Azusa Iida; Shigehiro Yamaguchi","Thiophene-Fused Ladder Boroles with High Antiaromaticity","Journal of the American Chemical Society","2011","133","","6952","6955","10.1021/ja2019977","","","0.7107","MoKα","","0.0616","0.0507","","","0.1255","0.1333","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106127","10.698","0.004","11.602","0.004","14.185","0.005","101.036","0.003","106.603","0.003","105.435","0.003","1556.7","1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","cmpd2","dithienoborole","","- C29 H43 B S2 Si2 -","- C29 H43 B S2 Si2 -","- C58 H86 B2 S4 Si4 -","2","1","","Azusa Iida; Shigehiro Yamaguchi","Thiophene-Fused Ladder Boroles with High Antiaromaticity","Journal of the American Chemical Society","2011","133","","6952","6955","10.1021/ja2019977","","","0.7107","MoKα","","0.0964","0.0569","","","0.1265","0.1472","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106128","12.58","0.003","14.116","0.004","16.02","0.004","71.525","0.013","77.197","0.015","76.333","0.012","2588.4","1.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","cmpd3","(benzothieno)(benzo)borole","","- C30.25 H31 B S -","- C30.25 H31 B S -","- C121 H124 B4 S4 -","4","2","","Azusa Iida; Shigehiro Yamaguchi","Thiophene-Fused Ladder Boroles with High Antiaromaticity","Journal of the American Chemical Society","2011","133","","6952","6955","10.1021/ja2019977","","","0.7107","MoKα","","0.1234","0.0769","","","0.1966","0.2308","","","","","","1.046","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106129","10.1867","0.0011","11.1461","0.0018","13.737","0.002","87.099","0.009","69.844","0.007","66.206","0.007","1332.6","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","cmpd4","bis(benzothieno)borole","","- C31 H31 B S2 -","- C31 H31 B S2 -","- C62 H62 B2 S4 -","2","1","","Azusa Iida; Shigehiro Yamaguchi","Thiophene-Fused Ladder Boroles with High Antiaromaticity","Journal of the American Chemical Society","2011","133","","6952","6955","10.1021/ja2019977","","","0.7107","MoKα","","0.0759","0.0491","","","0.1122","0.1263","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106130","5.6076","0.00013","9.3875","0.0002","12.8524","0.0003","70.347","0.002","89.0054","0.0019","83.0633","0.0019","632.3","0.03","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H14 Br F O -","- C14 H14 Br F O -","- C28 H28 Br2 F2 O2 -","2","2","","Jacobsen, Christian Borch; Nielsen, Martin; Worgull, Dennis; Zweifel, Theo; Fisker, Esben; Jørgensen, Karl Anker","Asymmetric Organocatalytic Monofluorovinylations","Journal of the American Chemical Society","2011","133","19","7398","7404","10.1021/ja110624k","","","0.71073","MoKα","","0.0411","0.0298","","","0.0967","0.1112","","","","","","0.826","","","","has coordinates","210880","2020-10-21","18:00:00",""
"4106131","10.4912","0.0004","12.2508","0.0005","13.7547","0.0005","90","","105.157","0.002","90","","1706.33","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H44 Cl2 N2 O Ru -","- C37 H44 Cl2 N2 O Ru -","- C74 H88 Cl4 N4 O2 Ru2 -","2","1","","Renee M. Thomas; Benjamin K. Keitz; Timothy M. Champagne; Robert H. Grubbs","Highly Selective Ruthenium Metathesis Catalysts for Ethenolysis","Journal of the American Chemical Society","2011","133","","7490","7496","10.1021/ja200246e","","","0.71073","MoKα","","0.0351","0.027","","","0.039","0.0399","","","","","","1.115","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106132","10.5474","0.0003","15.6796","0.0005","19.1646","0.0006","90","","90","","90","","3169.42","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 Cl2 N2 O Ru -","- C33 H42 Cl2 N2 O Ru -","- C132 H168 Cl8 N8 O4 Ru4 -","4","1","","Renee M. Thomas; Benjamin K. Keitz; Timothy M. Champagne; Robert H. Grubbs","Highly Selective Ruthenium Metathesis Catalysts for Ethenolysis","Journal of the American Chemical Society","2011","133","","7490","7496","10.1021/ja200246e","","","0.71073","MoKα","","0.0306","0.025","","","0.0341","0.0349","","","","","","1.069","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106133","14.7945","0.0006","14.7945","0.0006","14.7246","0.0004","90","","90","","120","","2791.1","0.18","173","2","173","2","","","","","","","synthesis as described","3","P 32","P 32","145","Compound 2","1,4-bis[3-methoxy-estra-1,3,5-(10)-trien-17α-ethynyl]phenylene","","- C48 H54 O4 -","- C48 H54 O4 -","- C144 H162 O12 -","3","1","","Braulio Rodríguez-Molina; Norberto Farfán; Margarita Romero; J. Manuel Méndez-Stivalet; Rosa Santillan; Miguel A. Garcia-Garibay","Anisochronous Dynamics in a Crystalline Array of Steroidal Molecular Rotors: Evidence of Correlated Motion within 1D Helical Domains","Journal of the American Chemical Society","2011","133","","7280","7283","10.1021/ja2006274","","x-ray","0.71073","MoKα","","0.0875","0.0512","","","0.0818","0.0925","","","","","","0.981","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106134","14.873","0.002","14.873","0.002","14.794","0.003","90","","90","","120","","2834.1","0.8","293","2","293","2","","","","","","","synthesis as described","3","P 32","P 32","145","Compound 2","1,4-bis[3-methoxy-estra-1,3,5-(10)-trien-17α-ethynyl]phenylene","","- C48 H54 O4 -","- C48 H54 O4 -","- C144 H162 O12 -","3","1","","Braulio Rodríguez-Molina; Norberto Farfán; Margarita Romero; J. Manuel Méndez-Stivalet; Rosa Santillan","Anisochronous Dynamics in a Crystalline Array of Steroidal Molecular Rotors: Evidence of Correlated Motion within 1D Helical Domains","Journal of the American Chemical Society","2011","133","","7280","7283","10.1021/ja2006274","","x-ray","0.71073","MoKα","","0.0977","0.0523","","","0.1041","0.1177","","","","","","0.942","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106135","12.7395","0.0004","5.5981","0.0002","32.0262","0.0011","90","","96.383","0.001","90","","2269.85","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O3 S -","- C27 H25 N O3 S -","- C108 H100 N4 O12 S4 -","4","1","","Jian-Jun Feng; Junliang Zhang","An Atom-Economic Synthesis of Bicyclo[3.1.0]hexanes by Rhodium N-Heterocyclic Carbene-Catalyzed Diastereoselective Tandem Hetero-[5 + 2] Cycloaddition/Claisen Rearrangement Reaction of Vinylic Oxiranes with Alkynes","Journal of the American Chemical Society","2011","133","","7304","7307","10.1021/ja2014604","","","0.71073","MoKα","","0.0606","0.0416","","","0.0984","0.1097","","","","","","1.027","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106136","20.3479","0.0019","11.3637","0.001","40.329","0.004","90","","99.347","0.002","90","","9201.4","1.5","223.1","","223","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H42 Cl2 F6 Ir N2 P3 -","- C45.5 H41.5 Cl2 F6 Ir N2 P3 -","- C364 H332 Cl16 F48 Ir8 N16 P24 -","8","2","","Graham E. Dobereiner; Ainara Nova; Nathan D. Schley; Nilay Hazari; Scott J. Miller; Odile Eisenstein; Robert H. Crabtree","Iridium-Catalyzed Hydrogenation of N-Heterocyclic Compounds under Mild Conditions by an Outer-Sphere Pathway","Journal of the American Chemical Society","2011","133","","7547","7562","10.1021/ja2014983","","","0.71075","MoKα","","","0.0776","","","","0.1553","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106137","10.95","0.004","18.517","0.007","21.354","0.007","90","","90","","90","","4330","3","223.1","","223","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H42 F6 Ir N2 P3 -","- C45 H40 F6 Ir N2 P3 -","- C180 H160 F24 Ir4 N8 P12 -","4","1","","Graham E. Dobereiner; Ainara Nova; Nathan D. Schley; Nilay Hazari; Scott J. Miller; Odile Eisenstein; Robert H. Crabtree","Iridium-Catalyzed Hydrogenation of N-Heterocyclic Compounds under Mild Conditions by an Outer-Sphere Pathway","Journal of the American Chemical Society","2011","133","","7547","7562","10.1021/ja2014983","","","0.71075","MoKα","","","0.069","","","","0.104","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106138","36.914","0.003","36.914","0.003","7.7817","0.0006","90","","90","","120","","9183.1","1.3","223.1","","223","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H24.5 I Ir N2 O0.25 -","- C17 H22 I Ir N2 -","- C306 H396 I18 Ir18 N36 -","18","1","","Graham E. Dobereiner; Ainara Nova; Nathan D. Schley; Nilay Hazari; Scott J. Miller; Odile Eisenstein; Robert H. Crabtree","Iridium-Catalyzed Hydrogenation of N-Heterocyclic Compounds under Mild Conditions by an Outer-Sphere Pathway","Journal of the American Chemical Society","2011","133","","7547","7562","10.1021/ja2014983","","","0.71075","MoKα","","","0.029","","","","0.0545","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106139","9.8963","0.0011","23.617","0.003","14.7431","0.0016","90","","102.965","0.003","90","","3357.9","0.7","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 F6 Ir N2 P2 -","- C35 H37 F6 Ir N2 P2 -","- C140 H148 F24 Ir4 N8 P8 -","4","1","","Graham E. Dobereiner; Ainara Nova; Nathan D. Schley; Nilay Hazari; Scott J. Miller; Odile Eisenstein; Robert H. Crabtree","Iridium-Catalyzed Hydrogenation of N-Heterocyclic Compounds under Mild Conditions by an Outer-Sphere Pathway","Journal of the American Chemical Society","2011","133","","7547","7562","10.1021/ja2014983","","","0.71075","MoKα","","","0.0541","","","","0.0918","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106140","14.4995","0.0007","17.405","0.0011","21.6522","0.0012","90","","90","","90","","5464.2","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H72 Mg2 N8 O2 -","- C61 H72 Mg2 N8 O2 -","- C244 H288 Mg8 N32 O8 -","4","1","","James W. Leeland; Fraser J. White; Jason B. Love","Encapsulation of a Magnesium Hydroxide Cubane by a Bowl-Shaped Polypyrrolic Schiff Base Macrocycle","Journal of the American Chemical Society","2011","133","","7320","7323","10.1021/ja201630b","","","0.71073","MoKα","","0.0692","0.0477","","","0.0906","0.1001","","","","","","1.018","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106141","22.02","0.0007","20.7992","0.0009","23.3115","0.001","90","","90","","90","","10676.6","0.7","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H68 Mg2 N8 O4 -","- C46 H56 Mg2 N8 O4 -","- C368 H448 Mg16 N64 O32 -","8","1","","James W. Leeland; Fraser J. White; Jason B. Love","Encapsulation of a Magnesium Hydroxide Cubane by a Bowl-Shaped Polypyrrolic Schiff Base Macrocycle","Journal of the American Chemical Society","2011","133","","7320","7323","10.1021/ja201630b","","","0.71073","MoKα","","0.141","0.0855","","","0.2449","0.2739","","","","","","1.025","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106142","9.4386","0.0008","12.6588","0.001","20.9666","0.0018","81.3678","0.0013","77.0299","0.0013","70.7556","0.0013","2296.9","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 F4 N2 Pd -","- C25 H28 F4 N2 Pd -","- C100 H112 F16 N8 Pd4 -","4","2","","Nicholas D. Ball; J. Brannon Gary; Yingda Ye; Melanie S. Sanford","Mechanistic and Computational Studies of Oxidatively-Induced Aryl-CF3 Bond-Formation at Pd: Rational Design of Room Temperature Aryl Trifluoromethylation","Journal of the American Chemical Society","2011","133","","7577","7584","10.1021/ja201726q","","","0.71073","MoKα","","0.058","0.0441","","","0.105","0.1126","","","","","","1.034","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106143","21.1093","0.0017","11.8779","0.001","26.872","0.002","90","","101.162","0.001","90","","6610.3","0.9","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H112 N2 Si12 -","- C46 H112 N2 Si12 -","- C184 H448 N8 Si48 -","4","1","","Torahiko Yamaguchi; Akira Sekiguchi","Unusual Reactivity of a Disilyne with 4-Dimethylaminopyridine: Formation of an Intramolecularly N-Coordinated Silylene and Its Isomerization to a Zwitterionic Silyl Anion","Journal of the American Chemical Society","2011","133","","7352","7354","10.1021/ja202605x","","","0.71073","MoKα","","0.0903","0.0481","","","0.1082","0.1245","","","","","","1.005","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106144","10.0624","0.0014","10.0624","0.0014","8.8361","0.0018","90","","90","","120","","774.8","0.2","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- B6 Cl K3 O10 -","- B6 Cl K3 O10 -","- B18 Cl3 K9 O30 -","3","0.166667","","Hongping Wu; Shilie Pan; Kenneth R. Poeppelmeier; Hongyi Li; Dianzeng Jia; Zhaohui Chen; Xiaoyun Fan; Yun Yang; James M. Rondinelli; Haosu Luo","K3B6O10Cl: A New Structure Analogous to Perovskite with a Large Second Harmonic Generation Response and Deep UV Absorption Edge","Journal of the American Chemical Society","2011","133","","7786","7790","10.1021/ja111083x","","","0.71073","MoKα","","0.0143","0.0138","","","0.032","0.0323","","","","","","1.188","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106145","9.7847","0.0008","10.3851","0.0009","16.1374","0.0015","90","","106.838","0.003","90","","1569.5","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C68 H84 N4 O8 S4 -","4","1","","Moisés Gulías; Alba Collado; Beatriz Trillo; Fernando López; Enrique Oñate; Miguel A. Esteruelas; José L. Mascareñas","Ruthenium-Catalyzed (2 + 2) Intramolecular Cycloaddition of Allenenes","Journal of the American Chemical Society","2011","133","","7660","7663","10.1021/ja200784n","","x-ray","0.7107","MoKα","","0.0834","0.055","","","0.1081","0.1214","","","","","","1.049","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106146","13.2099","0.0005","8.1963","0.0004","15.3135","0.0006","90","","108.232","0.003","90","","1574.79","0.12","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","LM1MG50B","","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C68 H84 N4 O8 S4 -","4","1","","Moisés Gulías; Alba Collado; Beatriz Trillo; Fernando López; Enrique Oñate; Miguel A. Esteruelas; José L. Mascareñas","Ruthenium-Catalyzed (2 + 2) Intramolecular Cycloaddition of Allenenes","Journal of the American Chemical Society","2011","133","","7660","7663","10.1021/ja200784n","","x-ray","0.71073","MoKα","","0.0988","0.0556","","","0.1114","0.1306","","","","","","1.029","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106147","9.6615","0.0005","10.1911","0.0006","16.0319","0.0009","90","","104.37","0.002","90","","1529.14","0.15","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Moisés Gulías; Alba Collado; Beatriz Trillo; Fernando López; Enrique Oñate; Miguel A. Esteruelas; José L. Mascareñas","Ruthenium-Catalyzed (2 + 2) Intramolecular Cycloaddition of Allenenes","Journal of the American Chemical Society","2011","133","","7660","7663","10.1021/ja200784n","","x-ray","0.7107","MoKα","","0.052","0.0413","","","0.1021","0.1085","","","","","","1.033","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106148","8.2812","0.0013","17.169","0.003","18.399","0.003","62.678","0.002","89.739","0.002","86.387","0.003","2318.6","0.7","176","2","176","2","","","","","","","","6","P -1","-P 1","2","o-phen(1,2-HOPO)2 uranyl complex","","","- C20.13 H18.5 N4 O9.13 S U -","- C20.125 H18.5 N4 O9.125 S U -","- C80.5 H74 N16 O36.5 S4 U4 -","4","2","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0654","0.0423","","","0.103","0.1116","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106149","9.7996","0.0014","17.047","0.002","19.03","0.003","102.075","0.002","95.478","0.003","91.56","0.003","3090.9","0.8","154","2","154","2","","","","","","","","6","P -1","-P 1","2","TAM(ophen-1,2-HOPO)2, uranly complex","","","- C58.7 H83.7 N8 O21.85 S0.15 U -","- C58.692 H60 N8 O21.846 S0.154 U -","- C117.384 H120 N16 O43.692 S0.308 U2 -","2","1","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0753","0.0538","","","0.1268","0.1364","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106150","17.625","0.004","23.731","0.005","26.021","0.005","90","","90","","90","","10884","4","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","TAM(ophen12HOPO)2 uranyl complex","","","- C50 H66 N8 O17 S U -","- C50 H66 N8 O17 S U -","- C400 H528 N64 O136 S8 U8 -","8","1","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0623","0.0331","","","0.0752","0.0842","","","","","","1.214","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106151","9.26","0.0015","13.259","0.002","23.405","0.004","79.417","0.002","86.227","0.002","88.558","0.002","2818.4","0.8","163","2","163","2","","","","","","","","5","P -1","-P 1","2","TAM(ophen-1,2-HOPO)2, uranyl complex","","","- C53 H78 N8 O22 U -","- C40 H48 N8 O14 U -","- C80 H96 N16 O28 U2 -","2","1","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0723","0.0479","","","0.1047","0.1106","","","","","","0.94","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106152","9.6429","0.0014","13.33","0.002","18.927","0.004","110.241","0.003","102.292","0.003","93.606","0.002","2205.4","0.7","135","2","135","2","","","","","","","","6","P -1","-P 1","2","TAM(o-phen-1,2-HOPO)2, uranyl complex","","","- C42 H50 N8 O13 S U -","- C42 H50 N8 O13 S U -","- C84 H100 N16 O26 S2 U2 -","2","1","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0759","0.0486","","","0.1123","0.1263","","","","","","1.017","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106153","17.686","0.003","17.686","0.003","14.605","0.003","90","","90","","90","","4568.4","1.4","144","2","144","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","TAM(en-3,2-HOPO)2 uranyl complex","","","- C40 H60 N8 O14 U -","- C40 H60 N8 O14 U -","- C160 H240 N32 O56 U4 -","4","0.5","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0395","0.0298","","","0.0616","0.0638","","","","","","1.032","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106154","16.97","0.002","12.5873","0.0018","22.161","0.003","90","","108.948","0.002","90","","4477.2","1","152","2","152","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","TAM(o-phen-3,2-HOPO)2 uranyl complex","","","- C44 H56 N8 O14 U -","- C44 H56 N8 O14 U -","- C176 H224 N32 O56 U4 -","4","0.5","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0302","0.0253","","","0.0571","0.058","","","","","","1.057","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106155","13.2979","0.001","32.381","0.002","7.3838","0.0006","90","","90","","90","","3179.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C31 H43 N O8 -","- C31 H41 N O8 -","- C124 H164 N4 O32 -","4","1","","Jun Shi; Georg Manolikakes; Chien-Hung Yeh; Carlos A. Guerrero; Ryan A. Shenvi; Hiroki Shigehisa; Phil S. Baran","Scalable Synthesis of Cortistatin A and Related Structures","Journal of the American Chemical Society","2011","133","","8014","8027","10.1021/ja202103e","","","1.54178","CuKα","","0.1067","0.0918","","","0.1943","0.2094","","","","","","1.151","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106156","12.015","0.002","12.534","0.002","16.724","0.003","90","","90","","90","","2518.6","0.7","205","2","205","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ryan","","","- C26 H39 N O7 -","- C26 H39 N O7 -","- C104 H156 N4 O28 -","4","1","","Jun Shi; Georg Manolikakes; Chien-Hung Yeh; Carlos A. Guerrero; Ryan A. Shenvi; Hiroki Shigehisa; Phil S. Baran","Scalable Synthesis of Cortistatin A and Related Structures","Journal of the American Chemical Society","2011","133","","8014","8027","10.1021/ja202103e","","","0.71073","MoKα","","0.1123","0.0997","","","0.2211","0.2278","","","","","","1.257","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106157","33.877","0.002","7.2517","0.0005","9.6664","0.0006","90","","92.05","0.001","90","","2373.2","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H29 N O7 -","- C23 H29 N O7 -","- C92 H116 N4 O28 -","4","1","","Jun Shi; Georg Manolikakes; Chien-Hung Yeh; Carlos A. Guerrero; Ryan A. Shenvi; Hiroki Shigehisa; Phil S. Baran","Scalable Synthesis of Cortistatin A and Related Structures","Journal of the American Chemical Society","2011","133","","8014","8027","10.1021/ja202103e","","","0.71073","MoKα","","0.041","0.039","","","0.0997","0.1011","","","","","","1.059","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106158","50.5101","0.0015","13.0198","0.0002","30.8241","0.001","90","","123.84","0.004","90","","16836.9","1.1","183","2","183","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","Bis[(μ~2~-deuterido)-bromo-(9,9-dimethyl-4,5-bis(diphenylphosphino)-9-\ silaxanthene-P,P')-nitrosyl-rhenium(I)] benzene dichloromethane solvate","","- C318 H278 Br8 Cl16 D8 N8 O16 P16 Re8 Si8 -","- C318 H278 Br8 Cl16 D8 N8 O16 P16 Re8 Si8 -","- C636 H556 Br16 Cl32 D16 N16 O32 P32 Re16 Si16 -","2","0.25","","Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke","Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations","Journal of the American Chemical Society","2011","133","","8168","8178","10.1021/ja107245k","","","0.71073","MoKα","","0.088","0.0487","","","0.1431","0.1517","","","","","","0.941","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106159","19.7393","0.0003","9.2862","0.0001","19.8067","0.0003","90","","108.782","0.002","90","","3437.3","0.09","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bromo-(η^2^-ethylene)-hydrido-(10,11-dihydro-4,5-bis(diphenylphosphino)dibenzo[b,f]oxepine)-nitrosyl-rhenium(I)","","- C40 H35 Br N O2 P2 Re -","- C40 H35 Br N O2 P2 Re -","- C160 H140 Br4 N4 O8 P8 Re4 -","4","1","","Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke","Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations","Journal of the American Chemical Society","2011","133","","8168","8178","10.1021/ja107245k","","","0.71073","MoKα","","0.0432","0.0274","","","0.0538","0.0554","","","","","","0.934","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106160","18.0902","0.0001","9.6663","0.0001","20.1922","0.0002","90","","93.795","0.001","90","","3523.17","0.05","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bromo-(η^2^-ethylene)-(9,9-dimethyl-4,5-(diphenylphosphino)(diphenyl-o-phenylene-phosphino)-9-silaxanthene-P,P')-nitrosyl-rhenium(I)","","- C40 H35 Br N O2 P2 Re Si -","- C40 H35 Br N O2 P2 Re Si -","- C160 H140 Br4 N4 O8 P8 Re4 Si4 -","4","1","","Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke","Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations","Journal of the American Chemical Society","2011","133","","8168","8178","10.1021/ja107245k","","","0.71073","MoKα","","0.0333","0.0226","","","0.0449","0.046","","","","","","0.946","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106161","9.8141","0.0001","15.7671","0.0002","23.1408","0.0003","90","","93.946","0.001","90","","3572.32","0.07","183","2","183","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Bromo-(η2-ethylene)-(9,9-dimethyl-4,5-(diphenylphosphino)(diphenyl-o-phenylene-phosphino)-9-silaxanthene-P,P')-nitrosyl-rhenium(I)","","- C40 H35 Br N O2 P2 Re Si -","- C40 H35 Br N O2 P2 Re Si -","- C160 H140 Br4 N4 O8 P8 Re4 Si4 -","4","1","","Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke","Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations","Journal of the American Chemical Society","2011","133","","8168","8178","10.1021/ja107245k","","","0.71073","MoKα","","0.0475","0.0295","","","0.0665","0.0689","","","","","","0.985","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106162","12.1375","0.0002","14.889","0.0002","17.783","0.0002","90","","98.118","0.001","90","","3181.46","0.08","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bis[(μ~2~-hydrido)-bromo-(1,1'-bis(diisopropylphosphino)ferrocene-P,P')-nitrosyl-rhenium(I) benzene solvate","","- C62 H92 Br2 Fe2 N2 O2 P4 Re2 -","- C62 H92 Br2 Fe2 N2 O2 P4 Re2 -","- C124 H184 Br4 Fe4 N4 O4 P8 Re4 -","2","0.5","","Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke","Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations","Journal of the American Chemical Society","2011","133","","8168","8178","10.1021/ja107245k","","","0.71073","MoKα","","0.046","0.0395","","","0.117","0.1185","","","","","","1.183","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106163","9.6581","0.0003","11.809","0.0005","12.4453","0.0005","86.483","0.001","88.47","0.001","76.059","0.001","1374.91","0.09","273.2","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N4 O6 Ru2 -","- C26 H30 N4 O6 Ru2 -","- C52 H60 N8 O12 Ru4 -","2","1","","Nao Hasegawa; Valentine Charra; Satoshi Inoue; Yoshiya Fukumoto; Naoto Chatani","Highly Regioselective Carbonylation of Unactivated C(sp3)-H Bonds by Ruthenium Carbonyl","Journal of the American Chemical Society","2011","133","","8070","8073","10.1021/ja2001709","","","0.7107","MoKα","","","0.0427","","","","0.1277","","","","","","1.527","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106164","12.9197","0.0003","12.9197","0.0003","9.8491","0.0004","90","","90","","90","","1644","0.09","293","2","120","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C20.4 Co4 F O24.04 P6 -","- C20.4 Co4 F O24.04 P6 -","- C40.8 Co8 F2 O48.08 P12 -","2","0.25","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.103","0.0664","","","0.1548","0.1796","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106165","9.346","0.0003","8.0993","0.0004","9.31","0.0005","90","","99.565","0.003","90","","694.93","0.06","293","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Co3 F4 H8 N2 O12 P4 -","- Co3 F4 H8 N2 O12 P4 -","- Co6 F8 H16 N4 O24 P8 -","2","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0717","0.054","","","0.104","0.1134","","","","","","1.097","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106166","7.1286","0.0005","14.455","0.0009","7.5552","0.0004","90","","106.741","0.004","90","","745.52","0.08","293","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- F9 Fe4 H12 N3 O8 P2 -","- F9 Fe4 H9 N3 O8 P2 -","- F18 Fe8 H18 N6 O16 P4 -","2","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.1778","0.107","","","0.1879","0.2258","","","","","","1.118","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106167","12.953","0.0005","10.6466","0.0003","6.4469","0.0003","90","","90","","90","","889.06","0.06","293","2","120","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C H6 F Fe N O4 P -","- C F Fe N0.65 O4 P -","- C8 F8 Fe8 N5.2 O32 P8 -","8","1","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0868","0.0789","","","0.1764","0.1795","","","","","","1.397","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106168","5.3999","0.0002","13.1644","0.0006","7.4117","0.0003","90","","107.501","0.003","90","","502.48","0.04","293","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F3 H4 Mn N O3 P -","- F3 H4 Mn N O3 P -","- F12 H16 Mn4 N4 O12 P4 -","4","1","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0344","0.0294","","","0.0737","0.0782","","","","","","0.928","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106169","7.7805","0.0008","8.0834","0.001","8.1265","0.0007","90","","97.343","0.007","90","","506.91","0.09","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- F6 Mn2 Na4 O7 P2 -","- F6 Mn2 Na4 O7 P2 -","- F12 Mn4 Na8 O14 P4 -","2","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.1053","0.0641","","","","0.1353","","","","","","1.063","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106170","7.8246","0.0007","9.494","0.0008","9.1169","0.0008","90","","94.87","0.005","90","","674.82","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cu3 F4 H8 N2 O12 P4 -","- Cu3 F4 H8 N2 O12 P4 -","- Cu6 F8 H16 N4 O24 P8 -","2","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0781","0.0553","","","0.1041","0.1152","","","","","","1.104","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106171","7.7491","0.0004","9.4344","0.0005","9.2186","0.0004","90","","95.186","0.004","90","","671.2","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cu3 F4 O12 P4 Rb2 -","- Cu3 F4 O12 P4 Rb2 -","- Cu6 F8 O24 P8 Rb4 -","2","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.143","0.0911","","","0.1628","0.1904","","","","","","1.111","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106172","18.972","0.0007","7.4973","0.0004","7.7663","0.0003","90","","103.629","0.002","90","","1073.56","0.08","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cu3 F6 K O8 P3 -","- Cu3 F6 K O8 P3 -","- Cu12 F24 K4 O32 P12 -","4","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0631","0.0469","","","0.0935","0.1014","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106173","19.0898","0.0005","7.5722","0.0003","7.8191","0.0002","90","","103.683","0.002","90","","1098.19","0.06","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cu3 F6 O8 P3 Rb -","- Cu3 F6 O8 P3 Rb -","- Cu12 F24 O32 P12 Rb4 -","4","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0311","0.0272","","","0.0709","0.0756","","","","","","0.639","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106174","9.9678","0.0003","22.5433","0.0007","20.4289","0.0006","90","","101.644","0.0017","90","","4496.1","0.2","123.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H17 Cl3 -","- C154 H36 Cl12 -","- C308 H72 Cl24 -","2","0.5","","Ying Zhang; Yutaka Matsuo; Chang-Zhi Li; Hideyuki Tanaka; Eiichi Nakamura","A Scalable Synthesis of Methano[60]fullerene and Congeners by the Oxidative Cyclopropanation Reaction of Silylmethylfullerene","Journal of the American Chemical Society","2011","133","","8086","8089","10.1021/ja201267t","","","1.54187","CuKα","","","0.1618","","","","0.4554","","","","","","2.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106175","9.8789","0.0003","16.4178","0.0005","24.5759","0.0007","90","","100.117","0.0018","90","","3924","0.2","123.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C75 H14 S2 -","- C150 H28 S4 -","- C300 H56 S8 -","2","0.5","","Ying Zhang; Yutaka Matsuo; Chang-Zhi Li; Hideyuki Tanaka; Eiichi Nakamura","A Scalable Synthesis of Methano[60]fullerene and Congeners by the Oxidative Cyclopropanation Reaction of Silylmethylfullerene","Journal of the American Chemical Society","2011","133","","8086","8089","10.1021/ja201267t","","","1.54187","CuKα","","","0.0952","","","","0.304","","","","","","0.961","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106176","15.726","0.006","15.726","0.006","24.027","0.01","90","","90","","120","","5146","4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","[HL]2Fe6, 6C6H6","","","- C82 H80 Fe6 N12 -","- C82 H79.98 Fe6 N12 -","- C246 H239.94 Fe18 N36 -","3","0.166667","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.103","0.0558","","","0.1171","0.1387","","","","","","1.02","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106177","10.207","0.004","11.848","0.004","12.43","0.005","95.754","0.006","93.572","0.006","109.697","0.005","1400.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Na(Et2O)2(NCMe)2][(HL)2Fe6]","","","- C58 H74 Fe6 N14 Na O2 -","- C58 H74 Fe6 N14 Na O2 -","- C58 H74 Fe6 N14 Na O2 -","1","0.5","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.0829","0.0486","","","0.1027","0.1159","","","","","","1.035","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106178","10.089","0.007","11.036","0.008","25.286","0.018","90","","98.095","0.015","90","","2787","3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","[(HL)2Fe6(NCMe)2]PF6","","","- C54 H60 F6 Fe6 N16 P -","- C54 H60 F6 Fe6 N16 P -","- C108 H120 F12 Fe12 N32 P2 -","2","0.5","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.1558","0.0932","","","0.2412","0.2792","","","","","","1.102","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106179","22.5059","0.0009","16.189","0.0006","18.8404","0.0006","90","","94.854","0.002","90","","6839.8","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[(HL)2Fe6(NCMe)4][PF6]2","","","- C62 H76 F12 Fe6 N16 O2 P2 -","- C62 H76 F12 Fe6 N16 O2 P2 -","- C248 H304 F48 Fe24 N64 O8 P8 -","4","0.5","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.0867","0.066","","","0.1593","0.1706","","","","","","1.093","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106180","13.01","0.006","16.993","0.007","17.914","0.008","90","","92.74","0.03","90","","3956","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(HL)2Fe6(NCMe)6][PF6]3","","","- C66 H78 F18 Fe6 N20 O P3 -","- C66 H78 F18 Fe6 N20 O P3 -","- C132 H156 F36 Fe12 N40 O2 P6 -","2","0.5","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.1452","0.0765","","","0.1967","0.2512","","","","","","1.102","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106181","24.607","0.004","15.053","0.003","21.417","0.004","90","","110.316","0.003","90","","7440","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(HL)2Fe6(NCMe)6][PF6]4","","","- C62 H72 F24 Fe6 N20 P4 -","- C62 H72 F24 Fe6 N20 P4 -","- C248 H288 F96 Fe24 N80 P16 -","4","0.5","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.0625","0.0413","","","0.1002","0.1121","","","","","","1.031","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106182","8.7877","0.0004","18.0777","0.0011","9.095","0.0005","90","","94.787","0.004","90","","1439.8","0.14","100","","100","","","","","","","","methanol","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl2 Cu N -","- C15 H14 Cl2 Cu N -","- C60 H56 Cl8 Cu4 N4 -","4","1","","Ester Böeß; Devarajulu Sureshkumar; Abhishek Sud; Cornelia Wirtz; Christophe Farès; Martin Klußmann","Mechanistic Studies on a Cu-Catalyzed Aerobic Oxidative Coupling Reaction with N-Phenyl Tetrahydroisoquinoline: Structure of Intermediates and the Role of Methanol As a Solvent","Journal of the American Chemical Society","2011","133","","8106","8109","10.1021/ja201610c","","","0.71073","MoKα","","0.0521","0.0345","","","0.1049","0.1259","","","","","","0.919","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106183","10.0417","0.0012","10.888","0.002","13.8614","0.0017","90","","94.803","0.009","90","","1510.2","0.4","100","","100","","","","","","","","methanole","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Br2 Cu N -","- C15 H14 Br2 Cu N -","- C60 H56 Br8 Cu4 N4 -","4","1","","Ester Böeß; Devarajulu Sureshkumar; Abhishek Sud; Cornelia Wirtz; Christophe Farès; Martin Klußmann","Mechanistic Studies on a Cu-Catalyzed Aerobic Oxidative Coupling Reaction with N-Phenyl Tetrahydroisoquinoline: Structure of Intermediates and the Role of Methanol As a Solvent","Journal of the American Chemical Society","2011","133","","8106","8109","10.1021/ja201610c","","","0.71073","MoKα","","0.1294","0.0631","","","0.107","0.1284","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106184","13.7224","0.0006","17.4566","0.0008","20.4323","0.0009","112.125","0.002","103.554","0.002","96.384","0.003","4298.3","0.3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C79 H49 B F24 Fe2 N O4 P2 S2 -","- C79 H49 B F24 Fe2 N O4 P2 S2 -","- C158 H98 B2 F48 Fe4 N2 O8 P4 S4 -","2","1","","James M. Camara; Thomas B. Rauchfuss","Mild Redox Complementation Enables H2 Activation by [FeFe]-Hydrogenase Models","Journal of the American Chemical Society","2011","133","","8098","8101","10.1021/ja201731q","","","0.71073","MoKα","","0.0636","0.0427","","","0.0998","0.1068","","","","","","1.029","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106185","18.5892","0.0003","18.5892","0.0003","5.4184","0.0012","90","","90","","120","","1621.5","0.4","293","2","293","2","","","","","","","","3","P -3","-P 3","147","1,6-bis-(4-hydroxyphenyl)-3-hexen-1,5-diyne","","","- C24 H24 O2 -","- C24 H24 O2 -","- C72 H72 O6 -","3","0.5","","Ana Pérez; José Luis Serrano; Teresa Sierra; Alfredo Ballesteros; Diana de Saá; José Barluenga","Control of Self-Assembly of a 3-Hexen-1,5-diyne Derivative: Toward Soft Materials with an Aggregation-Induced Enhancement in Emission","Journal of the American Chemical Society","2011","133","","8110","8113","10.1021/ja2018898","","","1.54184","CuKα","","0.0984","0.07","","","0.2007","0.2357","","","","","","0.925","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106186","12.8443","0.0011","16.7085","0.0015","24.735","0.002","90","","104.723","0.002","90","","5134.1","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl2 F24 N4 O8 P4 Rh2 -","- C28 H40 Cl2 F24 N4 O8 P4 Rh2 -","- C112 H160 Cl8 F96 N16 O32 P16 Rh8 -","4","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Oxygen Reduction to Water Mediated by a Dirhodium Hydrido-Chloride Complex","Journal of the American Chemical Society","2011","133","","8114","8117","10.1021/ja201972v","","","0.71073","MoKα","","0.0468","0.0368","","","0.0883","0.0958","","","","","","1.045","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106187","12.7491","0.0012","19.59","0.0018","21.03","0.002","90","","98.354","0.002","90","","5196.6","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Cl4 F24 N4 O8 P4 Rh2 -","- C28 H40 Cl4 F24 N4 O8 P4 Rh2 -","- C112 H160 Cl16 F96 N16 O32 P16 Rh8 -","4","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Oxygen Reduction to Water Mediated by a Dirhodium Hydrido-Chloride Complex","Journal of the American Chemical Society","2011","133","","8114","8117","10.1021/ja201972v","","","0.71073","MoKα","","0.0506","0.0346","","","0.0757","0.0845","","","","","","1.06","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106188","44.021","0.003","11.0442","0.0007","25.8534","0.0016","90","","120.892","0.001","90","","10786.2","1.2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C31 H47.5 Cl3 F24 N4 O8 P4 Rh2 -","- C31 H47.5 Cl3 F24 N4 O8 P4 Rh2 -","- C248 H380 Cl24 F192 N32 O64 P32 Rh16 -","8","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Oxygen Reduction to Water Mediated by a Dirhodium Hydrido-Chloride Complex","Journal of the American Chemical Society","2011","133","","8114","8117","10.1021/ja201972v","","","0.71073","MoKα","","0.0372","0.029","","","0.0702","0.0758","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106189","7.293","0.0015","10.03","0.002","12.207","0.002","85.06","0.03","77.13","0.03","87.58","0.03","867","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H12 Cl3 N O4 -","- C16 H12 Cl3 N O4 -","- C32 H24 Cl6 N2 O8 -","2","2","","K. C. Nicolaou; Nicholas L. Simmons; Yongcheng Ying; Philipp M. Heretsch; Jason S. Chen","Enantioselective Dichlorination of Allylic Alcohols","Journal of the American Chemical Society","2011","133","","8134","8137","10.1021/ja202555m","","","0.71073","MoKα","","0.0699","0.0614","","","0.1752","0.1826","","","","","","1.11","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106190","4.945","0.001","6.6101","0.0013","14.853","0.003","88.98","0.03","81.05","0.03","77.28","0.03","467.75","0.18","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H17 Cl2 N O5 -","- C18 H17 Cl2 N O5 -","- C18 H17 Cl2 N O5 -","1","1","","K. C. Nicolaou; Nicholas L. Simmons; Yongcheng Ying; Philipp M. Heretsch; Jason S. Chen","Enantioselective Dichlorination of Allylic Alcohols","Journal of the American Chemical Society","2011","133","","8134","8137","10.1021/ja202555m","","","0.71073","MoKα","","0.0334","0.0321","","","0.0774","0.0785","","","","","","1.111","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106191","18.3756","0.0011","14.6058","0.0009","22.0886","0.0013","90","","111.729","0.001","90","","5507.1","0.6","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(kN-Acetonitrile)(h5-cyclopentadienyl)(kP-2-diphenyl- phosphanyl-6-(2,4,6-triphenylphenyl)pyridine)- (kP-tributylphosphine)ruthenium(II) hexafluorophosphate","","- C60 H65 F6 N2 P3 Ru -","- C60 H65 F6 N2 P3 Ru -","- C240 H260 F24 N8 P12 Ru4 -","4","1","","Florian Boeck; Thomas Kribber; Li Xiao; Lukas Hintermann","Mixed Phosphane η5-CpRuCl(PR3)2 Complexes as Ambifunctional Catalysts for Anti-Markovnikov Hydration of Terminal Alkynes","Journal of the American Chemical Society","2011","133","","8138","8141","10.1021/ja2026823","","x-ray","0.71073","MoKα","","0.106","0.0532","","","0.106","0.1234","","","","","","0.884","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106192","8.0469","0.0008","16.2859","0.0016","10.5311","0.001","90","","106.797","0.003","90","","1321.2","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 Br N2 O4 -","- C30 H27 Br N2 O4 -","- C60 H54 Br2 N4 O8 -","2","1","","Jun Jiang; Hua-Dong Xu; Jian-Bei Xi; Bai-Yan Ren; Feng-Ping Lv; Xin Guo; Li-Qin Jiang; Zhi-Yong Zhang; Wen-Hao Hu","Diastereoselectively Switchable Enantioselective Trapping of Carbamate Ammonium Ylides with Imines","Journal of the American Chemical Society","2011","133","","8428","8431","10.1021/ja201589k","","","0.71073","MoKα","","0.0536","0.037","","","0.074","0.0814","","","","","","1.019","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106193","8.5528","0.0003","14.2736","0.0005","11.6894","0.0004","90","","102.228","0.001","90","","1394.66","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H29 Br N2 O5 -","- C31 H29 Br N2 O5 -","- C62 H58 Br2 N4 O10 -","2","1","","Jun Jiang; Hua-Dong Xu; Jian-Bei Xi; Bai-Yan Ren; Feng-Ping Lv; Xin Guo; Li-Qin Jiang; Zhi-Yong Zhang; Wen-Hao Hu","Diastereoselectively Switchable Enantioselective Trapping of Carbamate Ammonium Ylides with Imines","Journal of the American Chemical Society","2011","133","","8428","8431","10.1021/ja201589k","","","0.71073","MoKα","","0.0258","0.0241","","","0.0614","0.0622","","","","","","1.058","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106194","12.581","0.002","16.682","0.003","21.338","0.004","108.511","0.003","90.726","0.003","112","0.003","3893.1","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H62 F6 Fe N6 O7 S2 -","- C94 H62 F6 Fe N6 O7.177 S2 -","- C188 H124 F12 Fe2 N12 O14.354 S4 -","2","1","","Yasuhiro Nishikawa; Hisashi Yamamoto","Iron-Catalyzed Asymmetric Epoxidation of β,β-Disubstituted Enones","Journal of the American Chemical Society","2011","133","","8432","8435","10.1021/ja201873d","","","0.71073","MoKα","","0.1084","0.0632","","","0.1515","0.1684","","","","","","0.897","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106195","15.5224","0.0006","14.0036","0.0005","17.1234","0.0006","90","","90","","90","","3722.1","0.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","[SiPipr2SAd]FeCl","","","- C40 H55 Cl Fe P2 S Si -","- C40 H55 Cl Fe P2 S Si -","- C160 H220 Cl4 Fe4 P8 S4 Si4 -","4","1","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.0406","0.0351","","","0.0853","0.0887","","","","","","1.021","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106196","16.5522","0.0007","15.7697","0.0006","28.0672","0.0011","90","","102.447","0.002","90","","7154","0.5","296","2","296","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","[SiPipr2SAd]FeN2BArF","","","- C72 H67 B Cl F24 Fe N2 P2 S Si -","- C72 H63 B F24 Fe N2 P2 S Si -","- C288 H252 B4 F96 Fe4 N8 P8 S4 Si4 -","4","1","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.0835","0.0547","","","0.1339","0.1503","","","","","","1.022","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106197","27.2245","0.0006","27.2245","0.0006","13.8202","0.0004","90","","90","","90","","10243.2","0.4","100","2","100","2","","","","","","","","7","I -4","I -4","82","[SiPipr2SAd]FeCp","","","- C96 H120 Fe2 O P4 S2 Si4 -","- C96 H120 Fe2 O P4 S2 Si4 -","- C384 H480 Fe8 O4 P16 S8 Si16 -","4","0.5","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.0612","0.0498","","","0.1376","0.1455","","","","","","1.077","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106198","12.2792","0.0014","18.8853","0.0018","14.6011","0.0019","90","","90.993","0.008","90","","3385.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[[SiPipr2S]Fe]2","","","- C70 H104 Fe2 P4 S2 Si2 -","- C70 H52 Fe2 P4 S2 Si2 -","- C140 H104 Fe4 P8 S4 Si4 -","2","0.5","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.2502","0.1426","","","0.3305","0.3619","","","","","","1.613","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106199","11.0806","0.0005","13.0186","0.0006","19.1039","0.0008","93.752","0.001","105.59","0.001","91.585","0.001","2645.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[SiPiprSAd2]Fe(H)(N2)","","","- C58 H80 Fe N2 P S2 Si -","- C58 H79.144 Fe N2 P S2 Si -","- C116 H158.288 Fe2 N4 P2 S4 Si2 -","2","1","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.0926","0.0579","","","0.1453","0.1598","","","","","","1.161","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106200","7.1862","0.0003","11.0021","0.0005","27.7885","0.0013","90","","90","","90","","2197.05","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C22H29BrN2O2","","","- C22 H29 Br N2 O2 -","- C22 H29 Br N2 O2 -","- C88 H116 Br4 N8 O8 -","4","1","","Sarah E. Wengryniuk; Daniel Lim; Don M. Coltart","Regioselective Asymmetric α,α-Bisalkylation of Ketones via Complex-Induced Syn-Deprotonation of Chiral N-Amino Cyclic Carbamate Hydrazones","Journal of the American Chemical Society","2011","133","","8714","8720","10.1021/ja202267k","","","0.71073","MoKα","","0.1181","0.0568","","","0.1446","0.1776","","","","","","1.022","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106201","6.735","0.001","10.415","0.002","31.635","0.004","90","","90","","90","","2219","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C23H29BrN2O2","","","- C23 H29 Br N2 O2 -","- C23 H29 Br N2 O2 -","- C92 H116 Br4 N8 O8 -","4","1","","Sarah E. Wengryniuk; Daniel Lim; Don M. Coltart","Regioselective Asymmetric α,α-Bisalkylation of Ketones via Complex-Induced Syn-Deprotonation of Chiral N-Amino Cyclic Carbamate Hydrazones","Journal of the American Chemical Society","2011","133","","8714","8720","10.1021/ja202267k","","","0.71073","MoKα","","0.0538","0.0357","","","0.0805","0.0878","","","","","","1.035","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106202","32.205","0.006","12.094","0.002","22.004","0.004","90","","125.94","0.03","90","","6939","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H28.5 Ag2 F4.5 N8 O4.5 S1.5 -","- C28.5 H28.5 Ag2 F4.5 N8 O4.5 S1.5 -","- C228 H228 Ag16 F36 N64 O36 S12 -","8","1","","Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Designed Synthesis of Metal Cluster-Centered Pseudo-Rotaxane Supramolecular Architectures","Journal of the American Chemical Society","2011","133","","8448","8451","10.1021/ja202294v","","","0.71073","MoKα","","0.0877","0.0778","","","0.2045","0.2171","","","","","","1.154","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106203","17.278","0.004","18.822","0.004","27.281","0.006","99.56","0.03","107.48","0.03","91.06","0.03","8323","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H108 Ag8 F18 N32 O18 S6 -","- C128 H108 Ag8 F18 N32 O18 S6 -","- C256 H216 Ag16 F36 N64 O36 S12 -","2","1","","Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Designed Synthesis of Metal Cluster-Centered Pseudo-Rotaxane Supramolecular Architectures","Journal of the American Chemical Society","2011","133","","8448","8451","10.1021/ja202294v","","","0.71073","MoKα","","0.1273","0.0946","","","0.2633","0.2912","","","","","","1.008","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106204","6.259","0.003","7.569","0.003","20.826","0.009","90","0.001","92.781","0.001","90","0.001","985.5","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","DATT","","- C30 H16 S2 -","- C30 H16 S2 -","- C60 H32 S4 -","2","1","","Kazuki Niimi; Shoji Shinamura; Itaru Osaka; Eigo Miyazaki; Kazuo Takimiya","Dianthra[2,3-b:2',3'-f]thieno[3,2-b]thiophene (DATT): Synthesis, Characterization, and FET Characteristics of New π-Extended Heteroarene with Eight Fused Aromatic Rings","Journal of the American Chemical Society","2011","133","","8732","8739","10.1021/ja202377m","","","0.7107","MoKα","","0.0643","0.0595","","","0.142","0.1473","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106205","15.122","0.002","15.122","0.002","13.83","0.004","90","","90","","90","","3162.6","1.1","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C44 H32 N4 O -","- C44 H32 N4 O -","- C176 H128 N16 O4 -","4","0.25","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0557","0.0367","","","0.078","0.0844","","","","","","1.03","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106206","11.2363","0.0006","13.2294","0.0007","13.461","0.0007","92.94","0.001","103.856","0.001","112.928","0.001","1765.71","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 N4 Ni O3 -","- C46 H34 N4 Ni O3 -","- C92 H68 N8 Ni2 O6 -","2","1","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0532","0.047","","","0.1288","0.1332","","","","","","1.071","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106207","21.0637","0.0018","20.4454","0.0018","25.047","0.002","90","","90","","90","","10786.6","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C70 H50 N4 Ni O3 -","- C70 H50 N4 Ni O3 -","- C560 H400 N32 Ni8 O24 -","8","1","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0555","0.0442","","","0.1137","0.1257","","","","","","1.038","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106208","12.642","0.006","15.09","0.007","19.894","0.009","100.214","0.006","104.401","0.007","98.271","0.006","3547","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H27 N5 Ni O -","- C45 H27 N5 Ni O -","- C180 H108 N20 Ni4 O4 -","4","2","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.1329","0.0741","","","0.1638","0.1847","","","","","","0.925","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106209","9.6674","0.001","11.3608","0.0011","19.2435","0.0019","77.098","0.002","81.46","0.002","81.878","0.002","2024.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H40 N4 O2 -","- C57 H40 N4 O2 -","- C114 H80 N8 O4 -","2","1","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.1357","0.1033","","","0.2236","0.2395","","","","","","1.234","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106210","13.721","0.002","20.203","0.003","25.633","0.005","90","","102.309","0.002","90","","6942","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C46 H36 N4 O2 -","- C46 H36 N4 O2 -","- C368 H288 N32 O16 -","8","2","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0778","0.0556","","","0.1422","0.1571","","","","","","1.032","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106211","14.9159","0.0014","14.9159","0.0014","14.128","0.003","90","","90","","90","","3143.3","0.8","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C44 H30 N4 Ni O -","- C44 H30 N4 Ni O -","- C176 H120 N16 Ni4 O4 -","4","0.25","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0362","0.0288","","","0.0629","0.0657","","","","","","1.027","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106212","10.491","0.001","10.657","0.001","13.007","0.001","96.564","0.003","103.027","0.003","110.125","0.003","1300.7","0.2","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 F3 N2 O2 Si -","- C28 H29 F3 N2 O2 Si -","- C56 H58 F6 N4 O4 Si2 -","2","1","","Naoya Shindoh; Kazuo Kitaura; Yoshiji Takemoto; Kiyosei Takasu","Catalyst-Controlled Torquoselectivity Switch in the 4π Ring-Opening Reaction of 2-Amino-2-azetines Giving β-Substituted α,β-Unsaturated Amidines","Journal of the American Chemical Society","2011","133","","8470","8473","10.1021/ja202576e","","","0.7107","MoKα","","","0.077","","","","0.112","","","","","","0.875","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106213","22.1032","0.0009","14.2805","0.0006","25.7699","0.0011","90","","115.251","0.002","90","","7356.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 N2 O3 Ru -","- C37 H50 N2 O3 Ru -","- C296 H400 N16 O24 Ru8 -","8","2","","Koji Endo; Robert H. Grubbs","Chelated Ruthenium Catalysts for Z-Selective Olefin Metathesis","Journal of the American Chemical Society","2011","133","","8525","8527","10.1021/ja202818v","","","0.71073","MoKα","","0.1101","0.0766","","","0.1001","0.1014","","","","","","2.485","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106214","15.8871","0.0007","8.2831","0.0004","24.9853","0.0011","90","","100.885","0.002","90","","3228.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 Cl4 N2 O Ru -","- C33 H44 Cl4 N2 O Ru -","- C132 H176 Cl16 N8 O4 Ru4 -","4","1","","Koji Endo; Robert H. Grubbs","Chelated Ruthenium Catalysts for Z-Selective Olefin Metathesis","Journal of the American Chemical Society","2011","133","","8525","8527","10.1021/ja202818v","","","0.71073","MoKα","","0.0405","0.028","","","0.0498","0.0508","","","","","","1.522","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106215","17.8996","0.0009","15.312","0.0007","24.1534","0.0012","90","","90","","90","","6619.9","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H46 N2 O3 Ru -","- C36 H46 N2 O3 Ru -","- C288 H368 N16 O24 Ru8 -","8","1","","Koji Endo; Robert H. Grubbs","Chelated Ruthenium Catalysts for Z-Selective Olefin Metathesis","Journal of the American Chemical Society","2011","133","","8525","8527","10.1021/ja202818v","","","0.71073","MoKα","","0.0514","0.0296","","","0.0483","0.0493","","","","","","2.041","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106216","6.6184","0.0006","8.4914","0.0007","28.927","0.003","90","","90","","90","","1625.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","VRT-2-160","toste44","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Vivek Rauniyar; Z. Jane Wang; Heather E. Burks; F. Dean Toste","Enantioselective Synthesis of Highly Substituted Furans by a Copper(II)-Catalyzed Cycloisomerization-Indole Addition Reaction","Journal of the American Chemical Society","2011","133","","8486","8489","10.1021/ja202959n","","","1.54178","CuKα","","0.026","0.0259","","","0.0668","0.0669","","","","","","1.059","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4106217","35.414","0.004","12.6212","0.0014","9.2922","0.001","90","","95.497","0.005","90","","4134.2","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48.3 H43.3 N2 O13 -","- C48.28 H43.28 N2 O13 -","- C193.12 H173.12 N8 O52 -","4","0.5","","Pradeep P. Kapadia; Lindsay R. Ditzler; Jonas Baltrusaitis; Dale C. Swenson; Alexei V. Tivanski; F. Christopher Pigge","Semiconducting Organic Assemblies Prepared from Tetraphenylethylene Tetracarboxylic Acid and Bis(pyridine)s via Charge-Assisted Hydrogen Bonding","Journal of the American Chemical Society","2011","133","","8490","8493","10.1021/ja203001z","","","0.71073","MoKα","","0.0925","0.0574","","","0.1392","0.1587","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106218","36.557","0.004","12.51","0.0014","9.2151","0.001","90","","96.781","0.005","90","","4184.8","0.8","190","2","190","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47.4 H45.58 N2 O13.4 -","- C47.396 H40 N2 O13.396 -","- C189.584 H160 N8 O53.584 -","4","0.5","","Pradeep P. Kapadia; Lindsay R. Ditzler; Jonas Baltrusaitis; Dale C. Swenson; Alexei V. Tivanski; F. Christopher Pigge","Semiconducting Organic Assemblies Prepared from Tetraphenylethylene Tetracarboxylic Acid and Bis(pyridine)s via Charge-Assisted Hydrogen Bonding","Journal of the American Chemical Society","2011","133","","8490","8493","10.1021/ja203001z","","","0.71073","MoKα","","0.1284","0.0572","","","0.1223","0.1522","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106219","9.4628","0.001","14.493","0.0015","16.21","0.0017","99.907","0.005","98.249","0.005","90.148","0.005","2166.5","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H48 N2 O15 -","- C47 H36 N2 O15 -","- C94 H72 N4 O30 -","2","1","","Pradeep P. Kapadia; Lindsay R. Ditzler; Jonas Baltrusaitis; Dale C. Swenson; Alexei V. Tivanski; F. Christopher Pigge","Semiconducting Organic Assemblies Prepared from Tetraphenylethylene Tetracarboxylic Acid and Bis(pyridine)s via Charge-Assisted Hydrogen Bonding","Journal of the American Chemical Society","2011","133","","8490","8493","10.1021/ja203001z","","","0.71073","MoKα","","0.1719","0.1067","","","0.2815","0.3246","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106220","17.7779","0.0001","12.4782","0.0001","35.9708","0.0003","90","","90.565","0.0003","90","","7979.24","0.1","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85 H71 B2 F24 N P2 Ru -","- C85 H71 B2 F24 N P2 Ru -","- C340 H284 B8 F96 N4 P8 Ru4 -","4","1","","Dragoslav Vidovic; David A. Addy; Tobias Krämer; John McGrady; Simon Aldridge","Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono(σ-BH) Binding in [CpRu(PR3)2(H2BNCy2)]+","Journal of the American Chemical Society","2011","133","","8494","8497","10.1021/ja203051d","","","0.71073","MoKα","","0.1072","0.0566","","0.1374","0.1169","0.1374","","","","","","0.9302","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106221","13.2296","0.0002","17.2074","0.0003","17.6001","0.0003","92.5084","0.0007","103.503","0.0006","93.3378","0.0007","3882.45","0.11","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H89 B2 F24 N P2 Ru -","- C75 H89 B2 F24 N P2 Ru -","- C150 H178 B4 F48 N2 P4 Ru2 -","2","1","","Dragoslav Vidovic; David A. Addy; Tobias Krämer; John McGrady; Simon Aldridge","Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono(σ-BH) Binding in [CpRu(PR3)2(H2BNCy2)]+","Journal of the American Chemical Society","2011","133","","8494","8497","10.1021/ja203051d","","","0.71073","MoKα","","0.0969","0.0735","","0.193","0.1748","0.1929","","","","","","0.9283","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106222","12.8044","0.0002","24.7611","0.0004","22.1693","0.0003","90","","93.5095","0.001","90","","7015.62","0.18","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H70 B F25 N2 P2 Ru -","- C69 H70 B F25 N2 P2 Ru -","- C276 H280 B4 F100 N8 P8 Ru4 -","4","1","","Dragoslav Vidovic; David A. Addy; Tobias Krämer; John McGrady; Simon Aldridge","Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono(σ-BH) Binding in [CpRu(PR3)2(H2BNCy2)]+","Journal of the American Chemical Society","2011","133","","8494","8497","10.1021/ja203051d","","","0.71073","MoKα","","0.1407","0.108","","0.3318","0.2855","0.3318","","","","","","0.9759","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106223","13.8216","0.0001","16.9386","0.0001","17.6382","0.0002","61.5593","0.0004","86.4334","0.0004","85.0717","0.0004","3616.56","0.05","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C158 H104 B2 F50 N2 P4 Ru2 -","- C158 H104 B2 F50 N2 P4 Ru2 -","- C158 H104 B2 F50 N2 P4 Ru2 -","1","0.5","","Dragoslav Vidovic; David A. Addy; Tobias Krämer; John McGrady; Simon Aldridge","Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono(σ-BH) Binding in [CpRu(PR3)2(H2BNCy2)]+","Journal of the American Chemical Society","2011","133","","8494","8497","10.1021/ja203051d","","","0.71073","MoKα","","0.0675","0.0489","","0.1204","0.1124","0.1203","","","","","","0.9549","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106224","21.6694","0.001","9.9829","0.0005","24.027","0.0011","90","","108.828","0.002","90","","4919.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H67 Cl2 N5 Ru -","- C54 H67 Cl2 N5 Ru -","- C216 H268 Cl8 N20 Ru4 -","4","1","","Benjamin K. Keitz; Jean Bouffard; Guy Bertrand; Robert H. Grubbs","Protonolysis of a Ruthenium-Carbene Bond and Applications in Olefin Metathesis","Journal of the American Chemical Society","2011","133","","8498","8501","10.1021/ja203070r","","","0.71073","MoKα","","0.052","0.0353","","","0.0597","0.0605","","","","","","2.179","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106225","12.428","0.0005","16.2309","0.0006","32.2578","0.0014","90","","98.835","0.004","90","","6429.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C112 H164 Cl16 N8 Si6 Zr4 -","- C112 H164 Cl16 N8 Si6 Zr4 -","- C224 H328 Cl32 N16 Si12 Zr8 -","2","0.5","","Shigeyoshi Inoue; Jan D. Epping; Elisabeth Irran; Matthias Driess","Formation of a Donor-Stabilized Tetrasilacyclobutadiene Dication by a Lewis Acid Assisted Reaction of an N-Heterocyclic Chloro Silylene","Journal of the American Chemical Society","2011","133","","8514","8517","10.1021/ja2033475","","","0.71073","MoKα","","0.1184","0.0542","","","0.0817","0.0922","","","","","","0.826","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106226","18.3531","0.0004","18.8032","0.0004","26.5436","0.0006","90","","90","","90","","9160.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C113 H81 Cl3 Co2 N8 O4 -","- C113 H81 Cl3 Co2 N8 O4 -","- C452 H324 Cl12 Co8 N32 O16 -","4","1","","Hongjian Lu; Wojciech I. Dzik; Xue Xu; Lukasz Wojtas; Bas de Bruin; X. Peter Zhang","Experimental Evidence for Cobalt(III)-Carbene Radicals: Key Intermediates in Cobalt(II)-Based Metalloradical Cyclopropanation","Journal of the American Chemical Society","2011","133","","8518","8521","10.1021/ja203434c","","","1.54178","CuKα","","0.0929","0.0535","","","0.1063","0.1202","","","","","","1.012","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106227","14.0088","0.0002","14.8434","0.0003","16.4241","0.0003","103.556","0.0007","110.044","0.0009","103.809","0.0007","2922.46","0.1","123","","123","","","","","","","","LOC ETH Zurich","6","P -1","-P 1","2","","","","- C57 H46 B F24 P3 Pt -","- C57 H46 B F24 P3 Pt -","- C114 H92 B2 F48 P6 Pt2 -","2","1","","Daniel Serra; Marc-Etienne Moret; Peter Chen","Transmetalation of Methyl Groups Supported by PtII-AuI Bonds in the Gas Phase, in Silico, and in Solution","Journal of the American Chemical Society","2011","133","","8914","8926","10.1021/ja110405q","","","0.71073","MoKα","","0.0493","0.0405","","","0.1095","0.1209","","","","","","0.882","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106228","12.4804","0.0003","12.9209","0.0004","33.2367","0.0012","86.982","0.002","85.996","0.002","69.5802","0.0012","5008.3","0.3","123","","123","","","","","","","","LOC ETH Zurich","6","P -1","-P 1","2","","","","- C42 H40 B F24 P3 Pt -","- C42 H40 B F24 P3 Pt -","- C168 H160 B4 F96 P12 Pt4 -","4","2","","Daniel Serra; Marc-Etienne Moret; Peter Chen","Transmetalation of Methyl Groups Supported by PtII-AuI Bonds in the Gas Phase, in Silico, and in Solution","Journal of the American Chemical Society","2011","133","","8914","8926","10.1021/ja110405q","","","0.71073","MoKα","","0.1537","0.0811","","","0.175","0.2149","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106229","12.386","0.003","14.009","0.003","14.412","0.003","86.286","0.003","82.757","0.003","69.417","0.003","2321.8","0.9","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H44 Au2 Sb2 -","- C64 H44 Au2 Sb2 -","- C128 H88 Au4 Sb4 -","2","1","","Wade, Casey R.; Lin, Tzu-Pin; Nelson, Ryan C.; Mader, Elizabeth A.; Miller, Jeffrey T.; Gabbaï, François P","Synthesis, Structure, and Properties of a T-Shaped 14-Electron Stiboranyl-Gold Complex","Journal of the American Chemical Society","2011","133","23","8948","8955","10.1021/ja201092g","","","0.71073","MoKα","","0.0506","0.037","","","0.0936","0.1085","","","","","","1.043","","","","has coordinates","219275","2020-10-21","18:00:00",""
"4106230","12.6431","0.0016","15.846","0.002","23.458","0.003","85.612","0.002","83.94","0.002","83.805","0.002","4636","1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 Au F N Sb -","- C48 H58 Au F N Sb -","- C192 H232 Au4 F4 N4 Sb4 -","4","2","","Wade, Casey R.; Lin, Tzu-Pin; Nelson, Ryan C.; Mader, Elizabeth A.; Miller, Jeffrey T.; Gabbaï, François P","Synthesis, Structure, and Properties of a T-Shaped 14-Electron Stiboranyl-Gold Complex","Journal of the American Chemical Society","2011","133","23","8948","8955","10.1021/ja201092g","","","0.71073","MoKα","","0.1082","0.0556","","","0.1064","0.1179","","","","","","1.036","","","","has coordinates","219275","2020-10-21","18:00:00",""
"4106231","8.1895","0.0014","5.7464","0.0009","16.269","0.003","90","","97.801","0.005","90","","758.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Vincent N. G. Lindsay; Cyril Nicolas; André B. Charette","Asymmetric Rh(II)-Catalyzed Cyclopropanation of Alkenes with Diacceptor Diazo Compounds: p-Methoxyphenyl Ketone as a General Stereoselectivity Controlling Group","Journal of the American Chemical Society","2011","133","","8972","8981","10.1021/ja201237j","","","1.54178","CuKα","","0.0914","0.0535","","","0.1166","0.1303","","","","","","1.14","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106232","7.9911","0.0001","5.5915","0.0001","17.4447","0.0003","90","","91.981","0.001","90","","779","0.02","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","1","","Vincent N. G. Lindsay; Cyril Nicolas; André B. Charette","Asymmetric Rh(II)-Catalyzed Cyclopropanation of Alkenes with Diacceptor Diazo Compounds: p-Methoxyphenyl Ketone as a General Stereoselectivity Controlling Group","Journal of the American Chemical Society","2011","133","","8972","8981","10.1021/ja201237j","","","1.54178","CuKα","","0.0358","0.0343","","","0.0887","0.0901","","","","","","1.079","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106233","11.94","0.004","5.2913","0.0018","12.294","0.004","90","","94.675","0.016","90","","774.1","0.4","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C36 H28 Cl2 N2 O4 -","2","1","","Vincent N. G. Lindsay; Cyril Nicolas; André B. Charette","Asymmetric Rh(II)-Catalyzed Cyclopropanation of Alkenes with Diacceptor Diazo Compounds: p-Methoxyphenyl Ketone as a General Stereoselectivity Controlling Group","Journal of the American Chemical Society","2011","133","","8972","8981","10.1021/ja201237j","","","1.54178","CuKα","","0.053","0.0416","","","0.1022","0.1138","","","","","","1.03","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106234","12.6363","0.0003","16.863","0.0004","21.4921","0.0005","85.226","0.001","89.14","0.001","68.436","0.001","4243.75","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C87 H110 B4 Br4 -","- C87 H110 B4 Br4 -","- C174 H220 B8 Br8 -","2","1","","Pangkuan Chen; Roger A. Lalancette; Frieder Jäkle","Applying the Oligomer Approach to Luminescent Conjugated Organoboranes","Journal of the American Chemical Society","2011","133","","8802","8805","10.1021/ja201436a","","","1.54178","CuKα","","0.049","0.043","","","0.125","0.129","","","","","","1.07","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106235","11.426","0.002","18.457","0.004","18.34","0.004","90","","90","","90","","3867.7","1.4","93.15","","93.15","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C16 H10 N O4 Zn -","- C16 H10 N O4 Zn -","- C128 H80 N8 O32 Zn8 -","8","0.5","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.0753","0.0684","","","0.1713","0.1763","","","","","","1.194","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106236","10.885","0.002","10.93","0.002","18.518","0.004","87.42","0.03","84.99","0.03","70.57","0.03","2069.4","0.8","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H35.5 F2 N4.5 O11 Zn2 -","- C40 H32 F2 N4.5 O11 Zn2 -","- C80 H64 F4 N9 O22 Zn4 -","2","1","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.1075","0.0925","","","0.2342","0.2519","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106237","10.865","0.002","10.96","0.002","15.272","0.003","79.28","0.03","83.75","0.03","84.5","0.03","1770.9","0.6","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H18 F2 N2 O8 Zn2 -","- C32 H18 F2 N2 O8 Zn2 -","- C64 H36 F4 N4 O16 Zn4 -","2","1","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.1457","0.0945","","","0.2363","0.2758","","","","","","1.008","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106238","10.903","0.002","10.96","0.002","14.84","0.003","82.55","0.03","85.61","0.03","88.79","0.03","1753.1","0.6","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H21.5 F2 N2.5 O8.5 Zn2 -","- C33.5 H18 F2 N2.5 O8.5 Zn2 -","- C67 H36 F4 N5 O17 Zn4 -","2","1","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.1411","0.1139","","","0.2844","0.31","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106239","9.845","0.002","10.409","0.002","14.986","0.003","97.76","0.03","91.69","0.03","100.83","0.03","1492.2","0.6","378.15","","378.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H18 F2 N2 O8 Zn2 -","- C32 H18 F2 N2 O8 Zn2 -","- C64 H36 F4 N4 O16 Zn4 -","2","1","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.0967","0.0603","","","0.1021","0.1184","","","","","","1.101","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106240","9.824","0.002","10.461","0.002","14.573","0.003","98.19","0.03","95","0.03","102.13","0.03","1438.6","0.6","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H20 F2 N2 O9 Zn2 -","- C32 H18 F2 N2 O9 Zn2 -","- C64 H36 F4 N4 O18 Zn4 -","2","1","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.1188","0.0824","","","0.1668","0.1906","","","","","","1.079","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106241","10.5625","0.0003","10.6015","0.0003","11.5129","0.0004","66.132","0.001","65.392","0.001","80.115","0.001","1071.86","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 N8 O14 Y2 -","- C40 H46 N8 O14 Y2 -","- C40 H46 N8 O14 Y2 -","1","0.5","","Fatemah Habib; Po-Heng Lin; Jérôme Long; Ilia Korobkov; Wolfgang Wernsdorfer; Muralee Murugesu","The Use of Magnetic Dilution To Elucidate the Slow Magnetic Relaxation Effects of a Dy2 Single-Molecule Magnet","Journal of the American Chemical Society","2011","133","","8830","8833","10.1021/ja2017009","","","0.71073","MoKα","","0.0311","0.0258","","","0.0669","0.0695","","","","","","1.033","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106242","8.557","0.003","8.557","0.003","3.417","0.002","90","","90","","90","","250.2","0.19","140","1","140","1","","","","","","","","2","I 4/m","-I 4","87","","","","- Cl2 Tc -","- Cl2 Tc -","- Cl8 Tc4 -","4","0.25","","Frederic Poineau; Christos D. Malliakas; Philippe F. Weck; Brian L. Scott; Erik V. Johnstone; Paul M. Forster; Eunja Kim; Mercouri G. Kanatzidis; Kenneth R. Czerwinski; Alfred P. Sattelberger","Technetium Dichloride: A New Binary Halide Containing Metal-Metal Multiple Bonds","Journal of the American Chemical Society","2011","133","","8814","8817","10.1021/ja201788m","","","0.71073","MoKα","","0.0312","0.0312","","","0.0989","0.0989","","","","","","1.241","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106243","6.66","0.002","13.081","0.005","8.454","0.003","90","","96.275","0.004","90","","732.1","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 Br O2 S2 -","- C14 H13 Br O2 S2 -","- C28 H26 Br2 O4 S4 -","2","1","","Zhi-Min Chen; Qing-Wei Zhang; Zhi-Hua Chen; Hui Li; Yong-Qiang Tu; Fu-Min Zhang; Jin-Miao Tian","Organocatalytic Asymmetric Halogenation/Semipinacol Rearrangement: Highly Efficient Synthesis of Chiral α-Oxa-Quaternary β-Haloketones","Journal of the American Chemical Society","2011","133","","8818","8821","10.1021/ja201794v","","","0.71073","MoKα","","0.0648","0.0463","","","0.108","0.1166","","","","","","1.048","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106244","8.42","0.006","12.337","0.008","14.455","0.009","90","","90","","90","","1501.5","1.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl O2 -","- C18 H17 Cl O2 -","- C72 H68 Cl4 O8 -","4","1","","Zhi-Min Chen; Qing-Wei Zhang; Zhi-Hua Chen; Hui Li; Yong-Qiang Tu; Fu-Min Zhang; Jin-Miao Tian","Organocatalytic Asymmetric Halogenation/Semipinacol Rearrangement: Highly Efficient Synthesis of Chiral α-Oxa-Quaternary β-Haloketones","Journal of the American Chemical Society","2011","133","","8818","8821","10.1021/ja201794v","","","0.71073","MoKα","","0.0847","0.0514","","","0.0784","0.0875","","","","","","0.988","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106245","26.2357","0.0008","10.3821","0.0003","16.5816","0.0005","90","","90","","90","","4516.5","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H32 B F20 O P Zr -","- C48 H32 B F20 O P Zr -","- C192 H128 B4 F80 O4 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Cationic Zirconocene-Phosphinoaryloxide Complexes and Their Application in Catalytic Dehydrogenation of Amine Boranes","Journal of the American Chemical Society","2011","133","","8826","8829","10.1021/ja201989c","","","0.71073","MoKα","","0.0252","0.0232","","","0.0585","0.0597","","","","","","1.042","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106246","10.6311","0.0003","14.6798","0.0004","19.5986","0.0006","100.036","0.002","97.928","0.002","109.72","0.002","2770.58","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H54 B F20 O P Zr -","- C58 H54 B F20 O P Zr -","- C116 H108 B2 F40 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Cationic Zirconocene-Phosphinoaryloxide Complexes and Their Application in Catalytic Dehydrogenation of Amine Boranes","Journal of the American Chemical Society","2011","133","","8826","8829","10.1021/ja201989c","","","0.71073","MoKα","","0.0615","0.0454","","","0.1025","0.1095","","","","","","1.081","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106247","10.7432","0.0018","15.051","0.003","18.839","0.003","102.193","0.005","98.131","0.005","93.585","0.005","2934.1","0.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H64 B2 F20 N O P Zr -","- C61 H64 B2 F20 N O P Zr -","- C122 H128 B4 F40 N2 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Cationic Zirconocene-Phosphinoaryloxide Complexes and Their Application in Catalytic Dehydrogenation of Amine Boranes","Journal of the American Chemical Society","2011","133","","8826","8829","10.1021/ja201989c","","","1.54178","CuKα","","0.0331","0.0323","","","0.0909","0.0951","","","","","","1.093","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106248","11.3507","0.0004","17.6657","0.0006","22.8335","0.0008","90","","103.391","0.001","90","","4454","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 B F20 Hf O P -","- C48 H32 B F20 Hf O P -","- C192 H128 B4 F80 Hf4 O4 P4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Cationic Zirconocene-Phosphinoaryloxide Complexes and Their Application in Catalytic Dehydrogenation of Amine Boranes","Journal of the American Chemical Society","2011","133","","8826","8829","10.1021/ja201989c","","","0.71073","MoKα","","0.0231","0.0206","","","0.0563","0.0583","","","","","","1.236","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106249","8.7051","0.0007","21.177","0.002","37.004","0.003","90","","90","","90","","6821.6","1","296.2","","296.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Ru(pynaph)(tpy)(H2O)](PF6)2.2(H2O)","","","- C28 H26 F12 N6 O3 P2 Ru -","- C28 H22 F12 N6 O3 P2 Ru -","- C224 H176 F96 N48 O24 P16 Ru8 -","8","1","","Hirosato Yamazaki; Tomoya Hakamata; Manabu Komi; Masayuki Yagi","Stoichiometric Photoisomerization of Mononuclear Ruthenium(II) Monoaquo Complexes Controlling Redox Properties and Water Oxidation Catalysis","Journal of the American Chemical Society","2011","133","","8846","8849","10.1021/ja2024228","","","0.7107","MoKα","","","0.0928","","","","0.2816","","","","","","1.282","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106250","8.841","0.0008","11.402","0.001","18.571","0.001","102.158","0.005","91.087","0.006","97.925","0.001","1810.4","0.3","296.2","","296.2","","","","","","","","","7","P -1","-P 1","2","[Ru(tpy)(PyNaph)(H2O)](PF6)2 - (H2O)(Me2CO)","","","- C31 H30 F12 N6 O3 P2 Ru -","- C31 H30 F12 N6 O3 P2 Ru -","- C62 H60 F24 N12 O6 P4 Ru2 -","2","1","","Hirosato Yamazaki; Tomoya Hakamata; Manabu Komi; Masayuki Yagi","Stoichiometric Photoisomerization of Mononuclear Ruthenium(II) Monoaquo Complexes Controlling Redox Properties and Water Oxidation Catalysis","Journal of the American Chemical Society","2011","133","","8846","8849","10.1021/ja2024228","","","0.7107","MoKα","","","0.0609","","","","0.1734","","","","","","1.286","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106251","17.9641","0.0019","15.9684","0.0015","20.286","0.002","90","","104.115","0.003","90","","5643.5","1","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H34 B2 F30 N2 O2 -","- C55 H34 B2 F30 N2 O2 -","- C220 H136 B8 F120 N8 O8 -","4","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0896","0.0645","","","0.1397","0.1483","","","","","","1.075","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106252","12.1229","0.0003","13.3121","0.0004","20.7018","0.0006","90.325","0.001","96.079","0.001","101.622","0.001","3252.74","0.16","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C62 H48 B2 Cl2 F30 N2 O5 -","- C62 H48 B2 Cl2 F30 N2 O5 -","- C124 H96 B4 Cl4 F60 N4 O10 -","2","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0751","0.0609","","","0.1745","0.1897","","","","","","1.018","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106253","9.3267","0.0009","14.2507","0.0016","25.681","0.003","91.16","0.006","91.061","0.006","96.927","0.006","3386.9","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C54 H108 Ca2 N4 O6 Si4 -","- C54 H108 Ca2 N4 O6 Si4 -","- C108 H216 Ca4 N8 O12 Si8 -","2","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0672","0.0498","","","0.1422","0.1651","","","","","","1.093","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106254","12.4887","0.0004","14.478","0.0005","18.9052","0.0006","78.553","0.002","80.038","0.002","70.356","0.002","3134.31","0.18","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C61 H44 B2 F30 N2 O5 Zn -","- C61 H44 B2 F30 N2 O5 Zn -","- C122 H88 B4 F60 N4 O10 Zn2 -","2","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0839","0.055","","","0.1297","0.1487","","","","","","1.08","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106255","10.0271","0.0003","31.6987","0.0011","17.3268","0.0006","90","","105.854","0.002","90","","5297.8","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H24 B2 F36 N2 O5 Zn -","- C50 H24 B2 F36 N2 O5 Zn -","- C200 H96 B8 F144 N8 O20 Zn4 -","4","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0834","0.0395","","","0.0776","0.0927","","","","","","1.017","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106256","10.0154","0.0003","31.596","0.0009","17.2633","0.0004","90","","105.816","0.001","90","","5256.1","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H24 B2 F36 Mg N2 O5 -","- C50 H24 B2 F36 Mg N2 O5 -","- C200 H96 B8 F144 Mg4 N8 O20 -","4","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0546","0.0358","","","0.0758","0.0832","","","","","","1.021","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106257","17.2351","0.0008","18.9583","0.0008","40.8891","0.0017","76.723","0.002","86.104","0.002","63.11","0.002","11587.4","0.9","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C203 H102 B8 Ca4 Cl6 F144 N8 O20 -","- C203 H102 B8 Ca4 Cl6 F144 N8 O20 -","- C406 H204 B16 Ca8 Cl12 F288 N16 O40 -","2","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.1641","0.0899","","","0.2333","0.2617","","","","","","1.043","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106258","17.2065","0.0007","34.2358","0.0011","39.9013","0.0013","90","","94.874","0.001","90","","23420","1.4","150","2","150","2","","","","","","","synthesis as described","8","C 1 c 1","C -2yc","9","","","","- C203 H102 B8 Cl6 F144 N8 O20 Sr4 -","- C203 H102 B8 Cl6 F144 N8 O20 Sr4 -","- C812 H408 B32 Cl24 F576 N32 O80 Sr16 -","4","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.1117","0.0808","","","0.2061","0.2207","","","","","","1.1","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106259","16.9523","0.0005","19.1265","0.0006","41.6284","0.0014","100.694","0.002","94.116","0.002","114.585","0.001","11891.9","0.7","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C205 H108 B8 Ba4 Cl6 F144 N8 O21 -","- C205 H108 B8 Ba4 Cl6 F144 N8 O21 -","- C410 H216 B16 Ba8 Cl12 F288 N16 O42 -","2","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0594","0.049","","","0.114","0.1185","","","","","","1.058","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106260","21.341","0.004","7.8924","0.0015","11.615","0.002","90","","93.219","0.003","90","","1953.2","0.6","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Br O4 -","- C22 H25 Br O4 -","- C88 H100 Br4 O16 -","4","1","","Scott A. Snyder; Daniel A. Wespe; J. Marian von Hof","A Concise, Stereocontrolled Total Synthesis of Rippertenol","Journal of the American Chemical Society","2011","133","","8850","8853","10.1021/ja202859f","","","0.71073","MoKα","","0.1301","0.0708","","","0.1731","0.2027","","","","","","1.041","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106261","8.8772","0.0013","17.309","0.003","42.62","0.006","90","","95.771","0.002","90","","6515.6","1.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 O4 Si -","- C37 H48 O4 Si -","- C296 H384 O32 Si8 -","8","2","","Scott A. Snyder; Daniel A. Wespe; J. Marian von Hof","A Concise, Stereocontrolled Total Synthesis of Rippertenol","Journal of the American Chemical Society","2011","133","","8850","8853","10.1021/ja202859f","","","0.71073","MoKα","","0.1555","0.0608","","","0.1004","0.1305","","","","","","1.002","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106262","8.2949","0.0014","10.2967","0.0018","18.515","0.003","78.3","0.003","83.853","0.003","85.079","0.003","1536.3","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H46 O2 Si -","- C35 H46 O2 Si -","- C70 H92 O4 Si2 -","2","1","","Scott A. Snyder; Daniel A. Wespe; J. Marian von Hof","A Concise, Stereocontrolled Total Synthesis of Rippertenol","Journal of the American Chemical Society","2011","133","","8850","8853","10.1021/ja202859f","","","0.71073","MoKα","","0.2081","0.051","","","0.0603","0.0874","","","","","","0.682","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106263","6.366","0.003","13.087","0.006","14.032","0.005","90","","105.29","0.03","90","","1127.7","0.9","123.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H36 O4 -","- C27 H36 O4 -","- C54 H72 O8 -","2","1","","Hiromasa Yokoe; Chika Mitsuhashi; Yoko Matsuoka; Tomoyuki Yoshimura; Masahiro Yoshida; Kozo Shishido","Enantiocontrolled Total Syntheses of Breviones A, B, and C","Journal of the American Chemical Society","2011","133","","8854","8857","10.1021/ja202874d","","","0.7107","MoKα","","","0.046","","","","0.068","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106264","17.5522","0.0006","10.4649","0.0004","28.3624","0.0009","90","","90","","90","","5209.7","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Fe N3 -","- C31 H37 Fe N3 -","- C248 H296 Fe8 N24 -","8","1","","Sarah K. Russell; Emil Lobkovsky; Paul J. Chirik","Iron-Catalyzed Intermolecular [2π + 2π] Cycloaddition","Journal of the American Chemical Society","2011","133","","8858","8861","10.1021/ja202992p","","","0.71073","MoKα","","0.0581","0.0413","","","0.1067","0.1165","","","","","","1.014","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106265","13.9722","0.0016","22.691","0.003","21.08","0.002","90","","95.694","0.002","90","","6650.3","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H192 B8 N8 O3 Si4 -","- C120 H192 B8 N8 O3 Si4 -","- C240 H384 B16 N16 O6 Si8 -","2","0.5","","Mariham Y. Abraham; Yuzhong Wang; Yaoming Xie; Pingrong Wei; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson","Cleavage of Carbene-Stabilized Disilicon","Journal of the American Chemical Society","2011","133","","8874","8876","10.1021/ja203208t","","","0.71073","MoKα","","0.1967","0.0871","","","0.2098","0.2604","","","","","","1.053","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106266","20.195","0.006","12.59","0.004","22.879","0.006","90","","90","","90","","5817","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C58 H88 B2 N4 O2 Si -","- C58 H88 B2 N4 O2 Si -","- C232 H352 B8 N16 O8 Si4 -","4","1","","Mariham Y. Abraham; Yuzhong Wang; Yaoming Xie; Pingrong Wei; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson","Cleavage of Carbene-Stabilized Disilicon","Journal of the American Chemical Society","2011","133","","8874","8876","10.1021/ja203208t","","","0.71073","MoKα","","0.0892","0.052","","","0.1162","0.1357","","","","","","1.031","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106267","9.145","0.002","25.893","0.006","12.708","0.003","90","","106.34","0.002","90","","2887.6","1.1","93.1","","93.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 F6 Ir2 N O6 S2 -","- C22 H33 F6 Ir2 N O6 S2 -","- C88 H132 F24 Ir8 N4 O24 S8 -","4","1","","Takashi Kimura; Naoyuki Koiso; Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","H-H and N-H Bond Cleavage of Dihydrogen and Ammonia with a Bifunctional Parent Imido (NH)-Bridged Diiridium Complex","Journal of the American Chemical Society","2011","133","","8880","8883","10.1021/ja203538b","","","0.7107","MoKα","","","0.0257","","","","0.064","","","","","","0.949","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106268","9.722","0.007","12.154","0.009","18.628","0.013","81.67","0.02","80.053","0.018","83","0.02","2135","3","93.1","","93.1","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H54 B Cl2 Ir2 N -","- C45 H53 B Cl2 Ir2 N -","- C90 H106 B2 Cl4 Ir4 N2 -","2","1","","Takashi Kimura; Naoyuki Koiso; Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","H-H and N-H Bond Cleavage of Dihydrogen and Ammonia with a Bifunctional Parent Imido (NH)-Bridged Diiridium Complex","Journal of the American Chemical Society","2011","133","","8880","8883","10.1021/ja203538b","","","0.7107","MoKα","","","0.0545","","","","0.1722","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106269","14.656","0.004","15.452","0.004","36.94","0.009","90","","93.354","0.003","90","","8351","4","93.1","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H120 B2 Ir4 N2 O2 -","- C96 H115.6 B2 Ir4 N2 O2 -","- C384 H462.4 B8 Ir16 N8 O8 -","4","1","","Takashi Kimura; Naoyuki Koiso; Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","H-H and N-H Bond Cleavage of Dihydrogen and Ammonia with a Bifunctional Parent Imido (NH)-Bridged Diiridium Complex","Journal of the American Chemical Society","2011","133","","8880","8883","10.1021/ja203538b","","","0.7107","MoKα","","","0.0385","","","","0.0889","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106270","13.517","0.003","20.4","0.005","14.527","0.004","90","","94.579","0.004","90","","3993","1.7","93.1","","93.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 B Ir2 N -","- C44 H52 B Ir2 N -","- C176 H208 B4 Ir8 N4 -","4","1","","Takashi Kimura; Naoyuki Koiso; Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","H-H and N-H Bond Cleavage of Dihydrogen and Ammonia with a Bifunctional Parent Imido (NH)-Bridged Diiridium Complex","Journal of the American Chemical Society","2011","133","","8880","8883","10.1021/ja203538b","","","0.7107","MoKα","","","0.0536","","","","0.1512","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106271","13.564","0.003","14.299","0.003","21.074","0.005","90","","103.713","0.003","90","","3970.8","1.5","93.1","","93.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H55 B Ir2 N2 -","- C44 H55 B Ir2 N2 -","- C176 H220 B4 Ir8 N8 -","4","1","","Takashi Kimura; Naoyuki Koiso; Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","H-H and N-H Bond Cleavage of Dihydrogen and Ammonia with a Bifunctional Parent Imido (NH)-Bridged Diiridium Complex","Journal of the American Chemical Society","2011","133","","8880","8883","10.1021/ja203538b","","","0.7107","MoKα","","","0.022","","","","0.0521","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106272","9.686","0.002","16.213","0.005","21.63","0.005","90","","90","","90","","3396.8","1.5","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 B F2 N3 O7 -","- C33 H48 B F2 N3 O7 -","- C132 H192 B4 F8 N12 O28 -","4","1","","Hiromitsu Maeda; Kazumasa Naritani; Yoshihito Honsho; Shu Seki","Anion Modules: Building Blocks of Supramolecular Assemblies by Combination with π-Conjugated Anion Receptors","Journal of the American Chemical Society","2011","133","","8896","8899","10.1021/ja203880d","","","0.71075","MoKα","","0.063","0.0427","","","0.0869","0.0933","","","","","","1.039","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106273","19.343","0.004","20.8","0.005","34.866","0.008","90","","90","","90","","14028","5","273","2","273","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O168 U32 -","- O168 U32 -","- O336 U64 -","2","0.125","","Ginger E. Sigmon; Peter C. Burns","Rapid Self-Assembly of Uranyl Polyhedra into Crown Clusters","Journal of the American Chemical Society","2011","133","","9137","9139","10.1021/ja2013449","","","0.71073","MoKα","","0.1482","0.0802","","","0.1988","0.2268","","","","","","0.984","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106274","19.196","0.006","20.634","0.006","35.074","0.01","90","","90","","90","","13892","7","273","2","273","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O168 U32 -","- O168 U32 -","- O336 U64 -","2","0.125","","Ginger E. Sigmon; Peter C. Burns","Rapid Self-Assembly of Uranyl Polyhedra into Crown Clusters","Journal of the American Chemical Society","2011","133","","9137","9139","10.1021/ja2013449","","","0.71073","MoKα","","0.1495","0.0754","","","0.1873","0.2077","","","","","","0.819","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106275","19.078","0.005","20.728","0.006","35.208","0.01","90","","90","","90","","13923","7","273","2","273","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O168 U32 -","- O168 U32 -","- O336 U64 -","2","0.125","","Ginger E. Sigmon; Peter C. Burns","Rapid Self-Assembly of Uranyl Polyhedra into Crown Clusters","Journal of the American Chemical Society","2011","133","","9137","9139","10.1021/ja2013449","","","0.71073","MoKα","","0.108","0.0612","","","0.1553","0.1681","","","","","","0.869","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106276","7.6979","0.0009","31.65","0.004","7.1103","0.0008","90","","90","","90","","1732.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H17 Br N2 O4 S -","- C17 H17 Br N2 O4 S -","- C68 H68 Br4 N8 O16 S4 -","4","1","","Ling Zhou; Jie Chen; Chong Kiat Tan; Ying-Yeung Yeung","Enantioselective Bromoaminocyclization Using Amino-Thiocarbamate Catalysts","Journal of the American Chemical Society","2011","133","","9164","9167","10.1021/ja201627h","","","0.71073","MoKα","","0.0431","0.0367","","","0.0807","0.083","","","","","","1.043","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106277","3.7926","0.0004","18.458","0.002","2.9774","0.0002","90","","90","","90","","208.43","0.03","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Hydrazinium (I) Titanium Oxide (0.56/1.86/4)","","- H2.8 N1.12 O4 Ti1.86 -","- N1.12 O4 Ti1.86 -","- N2.24 O8 Ti3.72 -","2","0.125","","Sergey N. Britvin; Andriy Lotnyk; Lorenz Kienle; Sergey V. Krivovichev; Wulf Depmeier","Layered Hydrazinium Titanate: Advanced Reductive Adsorbent and Chemical Toolkit for Design of Titanium Dioxide Nanomaterials","Journal of the American Chemical Society","2011","133","","9516","9525","10.1021/ja202053q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106278","19.804","0.004","20.045","0.004","14.952","0.003","90","","106.03","0.03","90","","5705","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N Si -","- C23 H21 N Si -","- C276 H252 N12 Si12 -","12","3","","Yun Liang; Shaoguang Zhang; Zhenfeng Xi","Palladium-Catalyzed Synthesis of Benzosilolo[2,3-b]indoles via Cleavage of a C(sp3)-Si Bond and Consequent Intramolecular C(sp2)-Si Coupling","Journal of the American Chemical Society","2011","133","","9204","9207","10.1021/ja2024959","","","0.71073","MoKα","","0.2289","0.0472","","","0.0658","0.0929","","","","","","0.529","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106279","21.7834","0.0008","20.2725","0.0007","21.9159","0.0008","90","","116.475","0.002","90","","8663.2","0.6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C52 H44 N2 O9 -","- C52 H44 N2 O9 -","- C416 H352 N16 O72 -","8","2","","Marina M. Safont-Sempere; Peter Osswald; Matthias Stolte; Matthias Grüne; Manuel Renz; Martin Kaupp; Krzysztof Radacki; Holger Braunschweig; Frank Würthner","Impact of Molecular Flexibility on Binding Strength and Self-Sorting of Chiral π-Surfaces","Journal of the American Chemical Society","2011","133","","9580","9591","10.1021/ja202696d","","","0.71073","MoKα","","0.0911","0.0791","","","0.2314","0.2431","","","","","","1.148","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106280","12.5624","0.0012","15.906","0.0015","20.257","0.002","90","","91.067","0.002","90","","4047","0.7","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[(PY5Me2)Co(NCCH3)](OTf)2","","","- C37 H34 Co F6 N8 O6 S2 -","- C37 H34 Co F6 N8 O6 S2 -","- C148 H136 Co4 F24 N32 O24 S8 -","4","1","","Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang","Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water","Journal of the American Chemical Society","2011","133","","9212","9215","10.1021/ja202743r","","","0.71073","MoKα","","0.0689","0.0591","","","0.1579","0.1676","","","","","","1.064","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106281","12.5749","0.0002","12.5919","0.0002","12.9974","0.0002","113.192","0.001","91.686","0.001","116.337","0.001","1642.48","0.05","230","2","230","2","","","","","","","","7","P -1","-P 1","2","(PY5Me2)Co(OH2)(OTf)2","","","- C31 H27 Co F6 N5 O7 S2 -","- C31 H27 Co F6 N5 O7 S2 -","- C62 H54 Co2 F12 N10 O14 S4 -","2","1","","Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang","Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water","Journal of the American Chemical Society","2011","133","","9212","9215","10.1021/ja202743r","","","1.54178","CuKα","","0.032","0.0304","","","0.0807","0.0819","","","","","","1.052","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106282","12.5328","0.0005","12.686","0.0005","14.0939","0.0006","90.454","0.002","116.072","0.002","119.587","0.002","1676.2","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[(PY5Me2)Zn(H2O)](OTf)2","","","- C31 H27 F6 N5 O7 S2 Zn -","- C31 H27 F6 N5 O7 S2 Zn -","- C62 H54 F12 N10 O14 S4 Zn2 -","2","1","","Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang","Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water","Journal of the American Chemical Society","2011","133","","9212","9215","10.1021/ja202743r","","","0.71073","MoKα","","0.0401","0.0312","","","0.0793","0.084","","","","","","1.038","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106283","10.4204","0.0004","22.6271","0.0008","16.3644","0.0006","90","","90","","90","","3858.5","0.2","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","[(CF3PY5Me2)Co(OH2)](OTf)2","","","- C35 H36 Co F9 N5 O10 S2 -","- C35 H36 Co F9 N5 O10 S2 -","- C140 H144 Co4 F36 N20 O40 S8 -","4","0.5","","Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang","Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water","Journal of the American Chemical Society","2011","133","","9212","9215","10.1021/ja202743r","","","0.71073","MoKα","","0.0298","0.0262","","","0.0641","0.0667","","","","","","1.099","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106284","21.8445","0.0015","15.8758","0.0011","13.9791","0.001","90","","95.097","0.001","90","","4828.8","0.6","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","[(NMe2PY5Me2)Co(OTf)]OTf","","","- C41.25 H49 Co F6 N6 O9.5 S2 -","- C41.254 H49.016 Co F6 N6 O8.5 S2 -","- C165.016 H196.064 Co4 F24 N24 O34 S8 -","4","0.5","","Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang","Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water","Journal of the American Chemical Society","2011","133","","9212","9215","10.1021/ja202743r","","","0.71073","MoKα","","0.0716","0.0611","","","0.1782","0.1887","","","","","","1.13","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106285","14.0912","0.0002","14.9035","0.0002","12.5426","0.0002","90","","90","","90","","2634.05","0.07","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H18 Br Li N2 O4 -","- C8 H18 Br Li N2 O4 -","- C64 H144 Br8 Li8 N16 O32 -","8","0.5","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.018","0.0178","","","0.0464","0.0465","","","","","","1.089","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106286","9.1703","0.0003","9.1703","0.0003","15.5694","0.0014","90","","90","","90","","1309.3","0.13","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C10 H18 Br Li N2 O4 -","- C10 H18 Br Li N2 O4 -","- C40 H72 Br4 Li4 N8 O16 -","4","0.5","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0185","0.0181","","","0.0447","0.0449","","","","","","1.078","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106287","14.0427","0.0005","14.6533","0.0005","12.4822","0.0004","90","","90","","90","","2568.49","0.15","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H18 Cl Li N2 O4 -","- C8 H18 Cl Li N2 O4 -","- C64 H144 Cl8 Li8 N16 O32 -","8","0.5","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0342","0.0312","","","0.0726","0.0738","","","","","","0.994","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106288","9.0791","0.0001","9.0791","0.0001","15.4104","0.0002","90","","90","","90","","1270.28","0.03","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C10 H18 Cl Li N2 O4 -","- C10 H18 Cl Li N2 O4 -","- C40 H72 Cl4 Li4 N8 O16 -","4","0.5","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0231","0.0229","","","0.0662","0.0663","","","","","","1.022","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106289","9.5197","0.0001","9.9275","0.0001","21.7783","0.0002","90","","90","","90","","2058.2","0.04","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H14 Cl Li N2 O4 -","- C6 H14 Cl Li N2 O4 -","- C48 H112 Cl8 Li8 N16 O32 -","8","1","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.029","0.0274","","","0.0786","0.0798","","","","","","1.031","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106290","16.0472","0.0016","8.4767","0.001","10.8836","0.0011","90","","103.731","0.006","90","","1438.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Li N3 O7 -","- C10 H22 Li N3 O7 -","- C40 H88 Li4 N12 O28 -","4","1","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0475","0.0408","","","0.1134","0.1194","","","","","","1.023","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106291","11.0448","0.0003","12.0393","0.0003","20.2019","0.0005","90","","90","","90","","2686.28","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Li N3 O7 -","- C10 H18 Li N3 O7 -","- C80 H144 Li8 N24 O56 -","8","2","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0337","0.0314","","","0.0799","0.0812","","","","","","1.045","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106292","9.5219","0.0009","9.5664","0.0009","15.0812","0.0012","90","","90","","90","","1373.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Li N3 O7 -","- C10 H18 Li N3 O7 -","- C40 H72 Li4 N12 O28 -","4","1","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.064","0.0576","","","0.1454","0.1504","","","","","","1.046","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106293","42.093","0.006","42.093","0.006","16.69","0.003","90","","90","","90","","29572","8","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ga16 Se33 Zn4 -","- Ga16 Se33 Zn4 -","- Ga128 Se264 Zn32 -","8","0.5","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1317","0.0909","","","0.2883","0.3501","","","","","","1.128","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106294","23.5937","0.0008","23.5937","0.0008","42.62","0.003","90","","90","","90","","23725","2","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C3 Ga16 N5 Se33 Zn4 -","- C3 Ga16 N5 Se33 Zn4 -","- C24 Ga128 N40 Se264 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1745","0.0603","","","0.167","0.2278","","","","","","1.04","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106295","22.8934","0.0012","22.8934","0.0012","41.516","0.004","90","","90","","90","","21759","3","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga16 N2 S16.11 Se16.89 Zn4 -","- Ga16 N2 S16.114 Se16.886 Zn4 -","- Ga128 N16 S128.912 Se135.088 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1135","0.0691","","","0.2294","0.2793","","","","","","1.063","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106296","23.5451","0.0002","23.5451","0.0002","41.2267","0.0008","90","","90","","90","","22854.9","0.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga16 N2 S12.33 Se20.67 Zn4 -","- Ga16 N2 S12.33 Se20.6692 Zn4 -","- Ga128 N16 S98.64 Se165.354 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1245","0.0592","","","0.1914","0.2499","","","","","","1.091","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106297","23.0701","0.0004","23.0701","0.0004","41.4975","0.0013","90","","90","","90","","22086.2","0.9","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C2 Ga13.58 Se33 Sn2.42 Zn4 -","- C2 Ga13.572 Se33 Sn2.428 Zn4 -","- C16 Ga108.576 Se264 Sn19.424 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1258","0.0594","","","0.1836","0.2367","","","","","","1.075","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106298","23.7021","0.0003","23.7021","0.0003","42.1858","0.0008","90","","90","","90","","23699.5","0.6","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga13.87 S5.39 Se27.67 Sn2.13 Zn4 -","- Ga13.88 S5.37 Se27.67 Sn2.12 Zn4 -","- Ga111.04 S42.96 Se221.36 Sn16.96 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1409","0.0744","","","0.2158","0.3201","","","","","","1.082","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106299","23.6724","0.0002","23.6724","0.0002","42.266","0.0008","90","","90","","90","","23685.1","0.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga13.06 S3.3 Se29.7 Sn2.94 Zn4 -","- Ga13.0608 S3.2994 Se29.7 Sn2.9388 Zn4 -","- Ga104.486 S26.3952 Se237.6 Sn23.5104 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1209","0.0705","","","0.2373","0.2865","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106300","23.5849","0.0003","23.5849","0.0003","41.871","0.0017","90","","90","","90","","23290.6","1","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga14.17 S5.52 Se27.57 Sn1.83 Zn4 -","- Ga14.1696 S5.4919 Se27.5033 Sn1.8328 Zn4 -","- Ga113.357 S43.9352 Se220.026 Sn14.6624 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1124","0.0639","","","0.2135","0.2629","","","","","","1.086","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106301","24.1157","0.0002","24.1157","0.0002","41.9575","0.0006","90","","90","","90","","24401.1","0.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga12.93 S5.01 Se28.13 Sn3.07 Zn4 -","- Ga12.92 S4.952 Se28.108 Sn3.08 Zn4 -","- Ga103.36 S39.616 Se224.864 Sn24.64 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1141","0.068","","","0.2117","0.2945","","","","","","1.033","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106302","18.7047","0.001","18.7047","0.001","18.7047","0.001","90","","90","","90","","6544.1","0.6","150","2","150","2","","","","","","","","8","I -4 3 m","I -4 2 3","217","","","","- C60 H144 Ga14 N12 S3.29 Se31.71 Sn2 Zn4 -","- C60 H144 Ga14 N12 S3.286 Se31.714 Sn2 Zn4 -","- C120 H288 Ga28 N24 S6.572 Se63.428 Sn4 Zn8 -","2","0.0416667","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.0578","0.0345","","","0.0727","0.0844","","","","","","1.032","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106303","9.074","0.002","21.105","0.005","12.299","0.004","90","","105.218","0.01","90","","2272.7","1","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57 H59 B N2 O4 -","- C57 H59 B N2 O4 -","- C114 H118 B2 N4 O8 -","2","1","","Hiromitsu Maeda; Yuya Bando; Konomi Shimomura; Ippei Yamada; Masanobu Naito; Kazuyuki Nobusawa; Hiroyuki Tsumatori; Tsuyoshi Kawai","Chemical-Stimuli-Controllable Circularly Polarized Luminescence from Anion-Responsive π-Conjugated Molecules","Journal of the American Chemical Society","2011","133","","9266","9269","10.1021/ja203206g","","","0.71075","MoKα","","0.0954","0.0838","","","0.2117","0.2189","","","","","","1.067","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106304","13.336","0.007","14.772","0.009","16.318","0.008","76.813","0.018","77.986","0.017","76.877","0.019","3006","3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H31 B Cl2 N2 O4 -","- C36 H31 B Cl2 N2 O4 -","- C144 H124 B4 Cl8 N8 O16 -","4","2","","Hiromitsu Maeda; Yuya Bando; Konomi Shimomura; Ippei Yamada; Masanobu Naito; Kazuyuki Nobusawa; Hiroyuki Tsumatori; Tsuyoshi Kawai","Chemical-Stimuli-Controllable Circularly Polarized Luminescence from Anion-Responsive π-Conjugated Molecules","Journal of the American Chemical Society","2011","133","","9266","9269","10.1021/ja203206g","","","0.71075","MoKα","","0.2829","0.0851","","","0.1795","0.2789","","","","","","0.909","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106305","14.121","","9.324","","18.497","","90","","99.18","","90","","2404.2","","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H65 B Cl N3 O4 -","- C51 H65 B Cl N3 O4 -","- C102 H130 B2 Cl2 N6 O8 -","2","1","","Hiromitsu Maeda; Yuya Bando; Konomi Shimomura; Ippei Yamada; Masanobu Naito; Kazuyuki Nobusawa; Hiroyuki Tsumatori; Tsuyoshi Kawai","Chemical-Stimuli-Controllable Circularly Polarized Luminescence from Anion-Responsive π-Conjugated Molecules","Journal of the American Chemical Society","2011","133","","9266","9269","10.1021/ja203206g","","","1.54187","CuKα","","0.1754","0.0971","","","0.218","0.2655","","","","","","1.129","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106306","8.696","0.004","16.687","0.009","9.096","0.004","90","","116.168","0.018","90","","1184.6","1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Hiromitsu Maeda; Yuya Bando; Konomi Shimomura; Ippei Yamada; Masanobu Naito; Kazuyuki Nobusawa; Hiroyuki Tsumatori; Tsuyoshi Kawai","Chemical-Stimuli-Controllable Circularly Polarized Luminescence from Anion-Responsive π-Conjugated Molecules","Journal of the American Chemical Society","2011","133","","9266","9269","10.1021/ja203206g","","","0.71075","MoKα","","0.0433","0.035","","","0.0871","0.0917","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106307","10.059","0.0001","18.4839","0.0002","23.6246","0.0002","90","","93.024","0.001","90","","4386.39","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H55 Cl3 N2 O3 Pd -","- C45 H55 Cl3 N2 O3 Pd -","- C180 H220 Cl12 N8 O12 Pd4 -","4","1","","Bin Xiao; Tian-Jun Gong; Zhao-Jing Liu; Jing-Hui Liu; Dong-Fen Luo; Jun Xu; Lei Liu","Synthesis of Dibenzofurans via Palladium-Catalyzed Phenol-Directed C-H Activation/C-O Cyclization","Journal of the American Chemical Society","2011","133","","9250","9253","10.1021/ja203335u","","","1.54184","CuKα","","0.0387","0.0318","","","0.0893","0.0915","","","","","","1.018","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106308","6.9858","0.0003","13.2211","0.0006","22.1961","0.0009","90","","90","","90","","2050.03","0.15","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","1","","Bin Xiao; Tian-Jun Gong; Zhao-Jing Liu; Jing-Hui Liu; Dong-Fen Luo; Jun Xu; Lei Liu","Synthesis of Dibenzofurans via Palladium-Catalyzed Phenol-Directed C-H Activation/C-O Cyclization","Journal of the American Chemical Society","2011","133","","9250","9253","10.1021/ja203335u","","","1.54184","CuKα","","0.0568","0.0455","","","0.1199","0.1302","","","","","","1.029","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106309","14.4165","0.0007","14.7066","0.0007","15.7017","0.0008","112.429","0.0006","97.6849","0.0006","106.548","0.0006","2837.2","0.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H68 Ca Cl2 F3 Mn N4 O15 S4 -","- C45 H68 Ca Cl2 F3 Mn N4 O15 S4 -","- C90 H136 Ca2 Cl4 F6 Mn2 N8 O30 S8 -","2","1","","Young Jun Park; Joseph W. Ziller; A. S. Borovik","The Effects of Redox-Inactive Metal Ions on the Activation of Dioxygen: Isolation and Characterization of a Heterobimetallic Complex Containing a MnIII-(μ-OH)-CaII Core","Journal of the American Chemical Society","2011","133","","9258","9261","10.1021/ja203458d","","","0.71073","MoKα","","0.0635","0.0515","","","0.1314","0.1404","","","","","","1.039","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4106310","13.0048","0.0005","14.7028","0.0005","18.2798","0.0007","110.556","0.0004","92.2863","0.0004","105.802","0.0004","3113.2","0.2","198","2","198","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H77 Ba F3 Mn N4 O17 S4 -","- C50 H77 Ba F3 Mn N4 O17 S4 -","- C100 H154 Ba2 F6 Mn2 N8 O34 S8 -","2","1","","Young Jun Park; Joseph W. Ziller; A. S. Borovik","The Effects of Redox-Inactive Metal Ions on the Activation of Dioxygen: Isolation and Characterization of a Heterobimetallic Complex Containing a MnIII-(μ-OH)-CaII Core","Journal of the American Chemical Society","2011","133","","9258","9261","10.1021/ja203458d","","","0.71073","MoKα","","0.0486","0.0373","","","0.0968","0.1035","","","","","","1.03","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106311","16.723","0.007","7.709","0.003","32.443","0.012","90","","95.198","0.005","90","","4165","3","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H40 Ir N O2 P2 -","- C17 H40 Ir N O2 P2 -","- C136 H320 Ir8 N8 O16 P16 -","8","2","","Timothy J. Schmeier; Graham E. Dobereiner; Robert H. Crabtree; Nilay Hazari","Secondary Coordination Sphere Interactions Facilitate the Insertion Step in an Iridium(III) CO2 Reduction Catalyst","Journal of the American Chemical Society","2011","133","","9274","9277","10.1021/ja2035514","","","0.71075","MoKα","","","0.0684","","","","0.0955","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106312","13.7","0.003","13.994","0.003","25.058","0.005","83.971","0.002","86.904","0.002","88.474","0.002","4769.5","1.7","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C90 H73 B F24 Fe N2 O3 P2 Y -","- C90 H73 B F24 Fe N2 O3 P2 Y -","- C180 H146 B2 F48 Fe2 N4 O6 P4 Y2 -","2","1","","Erin M. Broderick; Neng Guo; Carola S. Vogel; Cuiling Xu; Jörg Sutter; Jeffrey T. Miller; Karsten Meyer; Parisa Mehrkhodavandi; Paula L. Diaconescu","Redox Control of a Ring-Opening Polymerization Catalyst","Journal of the American Chemical Society","2011","133","","9278","9281","10.1021/ja2036089","","","0.71073","MoKα","","0.0836","0.0553","","","0.1553","0.1684","","","","","","1.061","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106313","17.5092","0.001","29.7286","0.0018","8.5863","0.0005","90","","90","","90","","4469.4","0.5","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H24 F10 N4 O2 Zn -","- C16 H24 F10 N4 O2 Zn -","- C128 H192 F80 N32 O16 Zn8 -","8","0.5","","Ilya Popov; Sergey Lindeman; Olafs Daugulis","Copper-Catalyzed Arylation of 1H-Perfluoroalkanes","Journal of the American Chemical Society","2011","133","","9286","9289","10.1021/ja2041942","","","0.71073","MoKα","","0.0395","0.0384","","","0.102","0.1031","","","","","","1.052","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106314","26.038","0.004","26.038","0.004","21.702","0.004","90","","90","","120","","12742","4","223.15","","223.15","","","","","","","","","8","R -3","-R 3","148","","","","- C20 H36 Cl Cu F5 K N6 O3 -","- C20 H36 Cl Cu F5 K N6 O3 -","- C360 H648 Cl18 Cu18 F90 K18 N108 O54 -","18","","","Ilya Popov; Sergey Lindeman; Olafs Daugulis","Copper-Catalyzed Arylation of 1H-Perfluoroalkanes","Journal of the American Chemical Society","2011","133","","9286","9289","10.1021/ja2041942","","","0.71073","MoKα","","0.0597","0.0508","","","0.1306","0.1362","","","","","","1.022","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106315","5.2162","0.0002","15.3273","0.0004","16.7226","0.0005","87.309","0.002","89.473","0.002","85.92","0.002","1332.09","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","2","","Shainaz M. Landge; Ekatarina Tkatchouk; Diego Benítez; Don Antoine Lanfranchi; Mourad Elhabiri; William A. Goddard; Ivan Aprahamian","Isomerization Mechanism in Hydrazone-Based Rotary Switches: Lateral Shift, Rotation, or Tautomerization?","Journal of the American Chemical Society","2011","133","","9812","9823","10.1021/ja200699v","","x-ray","1.54178","CuKα","","0.0638","0.046","","","0.1128","0.1231","","","","","","1.056","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106316","7.0657","0.0015","10.783","0.002","14.797","0.003","98.277","0.002","98.104","0.002","98.997","0.002","1086.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 F6 N3 O6 -","- C19 H17 F6 N3 O6 -","- C38 H34 F12 N6 O12 -","2","1","","Shainaz M. Landge; Ekatarina Tkatchouk; Diego Benítez; Don Antoine Lanfranchi; Mourad Elhabiri; William A. Goddard; Ivan Aprahamian","Isomerization Mechanism in Hydrazone-Based Rotary Switches: Lateral Shift, Rotation, or Tautomerization?","Journal of the American Chemical Society","2011","133","","9812","9823","10.1021/ja200699v","","x-ray","0.71073","MoKα","","0.1077","0.0892","","","0.3137","0.3445","","","","","","1.313","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106317","7.6924","0.0006","8.5035","0.0006","16.6802","0.0012","86.133","0.001","83.357","0.001","66.975","0.001","997.13","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 F3 N3 O4 -","- C21 H18 F3 N3 O4 -","- C42 H36 F6 N6 O8 -","2","1","","Shainaz M. Landge; Ekatarina Tkatchouk; Diego Benítez; Don Antoine Lanfranchi; Mourad Elhabiri; William A. Goddard; Ivan Aprahamian","Isomerization Mechanism in Hydrazone-Based Rotary Switches: Lateral Shift, Rotation, or Tautomerization?","Journal of the American Chemical Society","2011","133","","9812","9823","10.1021/ja200699v","","x-ray","0.71073","MoKα","","0.0614","0.0541","","","0.1535","0.163","","","","","","1.073","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106318","13.3469","0.0006","15.7707","0.0008","17.3778","0.0009","64.183","0.0019","72.743","0.003","75.348","0.003","3111.8","0.3","150","1","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H74 B Br Fe N2 O P2 -","- C59 H74 B Br Fe N2 O P2 -","- C118 H148 B2 Br2 Fe2 N4 O2 P4 -","2","1","","Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Low-Valent Ene-Amido Iron Complexes for the Asymmetric Transfer Hydrogenation of Acetophenone without Base","Journal of the American Chemical Society","2011","133","","9662","9665","10.1021/ja202375y","","","0.71073","MoKα","","0.143","0.0674","","","0.1497","0.172","","","","","","0.892","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106319","13.1562","0.0002","18.2131","0.0003","20.7991","0.0003","67.535","0.001","78.906","0.001","70.363","0.001","4325.97","0.12","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C47 H58 B Br Fe N2 O P2 -","- C47 H58 B Br Fe N2 O P2 -","- C188 H232 B4 Br4 Fe4 N8 O4 P8 -","4","2","","Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Low-Valent Ene-Amido Iron Complexes for the Asymmetric Transfer Hydrogenation of Acetophenone without Base","Journal of the American Chemical Society","2011","133","","9662","9665","10.1021/ja202375y","","","0.71073","MoKα","","0.107","0.0499","","","0.1079","0.1303","","","","","","0.993","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106320","16.9216","0.0004","10.2346","0.0002","14.0347","0.0004","90","","98.42","0.001","90","","2404.41","0.1","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Fe N2 O P2 -","- C23 H36 Fe N2 O P2 -","- C92 H144 Fe4 N8 O4 P8 -","4","1","","Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Low-Valent Ene-Amido Iron Complexes for the Asymmetric Transfer Hydrogenation of Acetophenone without Base","Journal of the American Chemical Society","2011","133","","9662","9665","10.1021/ja202375y","","","0.71073","MoKα","","0.0773","0.044","","","0.1055","0.1215","","","","","","1.07","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106321","25.7917","0.0002","29.1099","0.0011","10.128","0.0008","90","","98.535","0.0016","90","","7519.8","0.7","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H50 B Cl Fe N2 O P2 -","- C39 H50 B Cl Fe N2 O P2 -","- C312 H400 B8 Cl8 Fe8 N16 O8 P16 -","8","2","","Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Low-Valent Ene-Amido Iron Complexes for the Asymmetric Transfer Hydrogenation of Acetophenone without Base","Journal of the American Chemical Society","2011","133","","9662","9665","10.1021/ja202375y","","","0.71073","MoKα","","0.1789","0.063","","","0.1165","0.1581","","","","","","0.958","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106322","12.674","0.005","7.919","0.002","18.528","0.007","90","","100.482","0.015","90","","1828.5","1.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F3 O4 -","- C21 H17 F3 O4 -","- C84 H68 F12 O16 -","4","1","","Daishi Fujino; Hideki Yorimitsu; Koichiro Oshima","Synthesis of Alkylidenecyclopropanes by Palladium-Catalyzed Reaction of Propargyl-Substituted Malonate Esters with Aryl Halides by Anti-carbopalladation Pathway","Journal of the American Chemical Society","2011","133","","9682","9685","10.1021/ja203062z","","","0.71075","MoKα","","0.0492","0.041","","","0.1095","0.115","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106323","12.47483","0.00015","16.8358","0.00007","9.7775","0.0003","90","","90","","90","","2053.51","0.07","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H27 O4 P W -","- C19 H27 O4 P W -","- C76 H108 O16 P4 W4 -","4","0.5","","Volodymyr Lyaskovskyy; Niels Elders; Andreas W. Ehlers; Martin Lutz; J. Chris Slootweg; Koop Lammertsma","Remarkable Metal-Complexed Phosphorus Analogues of the Cyclopropenylcarbene-Cyclobutadiene Rearrangement","Journal of the American Chemical Society","2011","133","","9704","9707","10.1021/ja203083c","","","0.71073","MoKα","","0.0144","0.0113","","","0.0237","0.0246","","","","","","1.193","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106324","9.2927","0.0004","13.0702","0.0005","16.0005","0.0009","98.187","0.002","90.054","0.002","93.899","0.003","1919.01","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Fe O3 P -","- C18 H27 Fe O3 P -","- C72 H108 Fe4 O12 P4 -","4","2","","Volodymyr Lyaskovskyy; Niels Elders; Andreas W. Ehlers; Martin Lutz; J. Chris Slootweg; Koop Lammertsma","Remarkable Metal-Complexed Phosphorus Analogues of the Cyclopropenylcarbene-Cyclobutadiene Rearrangement","Journal of the American Chemical Society","2011","133","","9704","9707","10.1021/ja203083c","","","0.71073","MoKα","","0.0669","0.0357","","","0.0689","0.0786","","","","","","1.042","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106325","8.4946","0.0015","9.3522","0.0016","14.843","0.003","87.096","0.002","83.984","0.002","75.395","0.002","1134.4","0.4","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 S3 Zn -","- C23 H21 N3 S3 Zn -","- C46 H42 N6 S6 Zn2 -","2","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0599","0.0371","","","0.075","0.0838","","","","","","1.028","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106326","9.174","0.007","14.901","0.011","27.65","0.02","90","","90","","90","","3780","5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N3 S3 Zn -","- C17 H15 N3 S3 Zn -","- C136 H120 N24 S24 Zn8 -","8","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0829","0.0415","","","0.0884","0.1022","","","","","","1.018","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106327","32.946","0.003","9.1119","0.0009","13.916","0.0014","90","","101.273","0.002","90","","4097","0.7","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N4 O S3 Zn -","- C20 H15 N4 O S3 Zn -","- C160 H120 N32 O8 S24 Zn8 -","8","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0875","0.0504","","","0.1204","0.1356","","","","","","1.188","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106328","14.0412","0.0009","14.5162","0.001","9.1317","0.0006","90","","96.085","0.001","90","","1850.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O2 S3 Zn -","- C17 H13 N3 O2 S3 Zn -","- C68 H52 N12 O8 S12 Zn4 -","4","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0476","0.0321","","","0.0754","0.0819","","","","","","1.03","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106329","13.598","0.003","9.344","0.002","13.935","0.003","90","","90","","90","","1770.6","0.7","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 N6 S3 Zn -","- C16 H12 N6 S3 Zn -","- C64 H48 N24 S12 Zn4 -","4","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0577","0.0367","","","0.0697","0.0769","","","","","","1.01","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106330","9.378","0.0006","10.1829","0.0006","13.4332","0.0008","70.77","0.001","84.296","0.001","83.607","0.001","1201.01","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 N3 O2 S3 Zn -","- C24 H21 N3 O2 S3 Zn -","- C48 H42 N6 O4 S6 Zn2 -","2","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0266","0.0239","","","0.0651","0.0668","","","","","","1.057","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106331","8.607","0.002","14.655","0.004","30.49","0.008","90","","90","","90","","3845.9","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N3 S3 Zn -","- C19 H16 N3 S3 Zn -","- C152 H128 N24 S24 Zn8 -","8","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.1075","0.0465","","","0.0834","0.1024","","","","","","1.001","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106332","11.443","0.0004","14.9679","0.0005","11.569","0.0004","90","","111.381","0.0019","90","","1845.13","0.11","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C72 H96 N8 O24 -","4","1","","Takuya Hashimoto; Hiroki Nakatsu; Kumiko Yamamoto; Keiji Maruoka","Chiral Brønsted Acid-Catalyzed Asymmetric Trisubstituted Aziridine Synthesis Using α-Diazoacyl Oxazolidinones","Journal of the American Chemical Society","2011","133","","9730","9733","10.1021/ja203901h","","","1.54187","CuKα","","","0.0525","","","","0.146","","","","","","1.037","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106333","7.4228","0.0013","17.014","0.003","22.026","0.004","90","","96.464","0.003","90","","2764","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H44 O Si -","- C31 H44 O Si -","- C124 H176 O4 Si4 -","4","2","","Surendra, Karavadhi; Qiu, Wenwei; Corey, E. J.","A Powerful New Construction of Complex Chiral Polycycles by an Indium(III)-Catalyzed Cationic Cascade","Journal of the American Chemical Society","2011","133","25","9724","9726","10.1021/ja204142n","","","0.71073","MoKα","","0.0566","0.0428","","","0.0893","0.0959","","","","","","1.02","","","","has coordinates","219273","2020-10-21","18:00:00",""
"4106334","11.062","0.004","13.329","0.005","13.883","0.005","89.968","0.006","87.718","0.006","74.061","0.006","1966.6","1.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H45 B Cl3 Ir N2 -","- C46.5 H45 B Cl3 Ir N2 -","- C93 H90 B2 Cl6 Ir2 N4 -","2","1","","Janeth Navarro; Olga Torres; Marta Martín; Eduardo Sola","Iridium Complexes of the Doubly Cyclometalated NHC Ligand IMes''","Journal of the American Chemical Society","2011","133","","9738","9740","10.1021/ja204522e","","","0.71073","MoKα","","0.0673","0.0449","","","0.067","0.072","","","","","","0.832","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106335","33.9769","0.0015","13.1349","0.0006","13.8166","0.0006","90","0.001","109.442","0.001","90","0.001","5814.5","0.4","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 F6 Ir N5 P -","- C27 H31 F6 Ir N5 P -","- C216 H248 F48 Ir8 N40 P8 -","8","1","","Janeth Navarro; Olga Torres; Marta Martín; Eduardo Sola","Iridium Complexes of the Doubly Cyclometalated NHC Ligand IMes''","Journal of the American Chemical Society","2011","133","","9738","9740","10.1021/ja204522e","","","0.71073","MoKα","","0.0564","0.0364","","","0.0613","0.0653","","","","","","0.897","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106336","7.0412","0.0004","10.3913","0.0007","40.539","0.003","97.167","0.002","90.431","0.002","109.311","0.001","2773.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H37 B2 F6 K2 N3 -","- C23 H37 B2 F6 K2 N3 -","- C92 H148 B8 F24 K8 N12 -","4","2","","Jin-Kyun Lee; Michael C. Gwinner; Reinhard Berger; Carol Newby; Rudolf Zentel; Richard H. Friend; Henning Sirringhaus; Christopher K. Ober","High-Performance Electron-Transporting Polymers Derived from a Heteroaryl Bis(trifluoroborate)","Journal of the American Chemical Society","2011","133","","9949","9951","10.1021/ja201485p","","","0.71073","MoKα","","0.0669","0.0423","","","0.0945","0.1061","","","","","","0.989","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4106337","16.7036","0.0009","16.7036","0.0009","20.765","0.002","90","","90","","90","","5793.6","0.7","296","2","296","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C58 H34 N6 O9 Zn3 -","- C58 H34 N6 O9 Zn3 -","- C116 H68 N12 O18 Zn6 -","2","0.125","","Brandon J. Burnett; Paul M. Barron; Chunhua Hu; Wonyoung Choe","Stepwise Synthesis of Metal-Organic Frameworks: Replacement of Structural Organic Linkers","Journal of the American Chemical Society","2011","133","","9984","9987","10.1021/ja201911v","","","0.71073","MoKα","","0.0875","0.0654","","","0.16","0.17","","","","","","1.006","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106338","12.44","0.01","12.594","0.01","12.697","0.01","90","","100.954","0.014","90","","1953","3","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H23 F3 N2 O2 -","- C21 H23 F3 N2 O2 -","- C84 H92 F12 N8 O8 -","4","4","","G. K. Surya Prakash; Fang Wang; Chuanfa Ni; Jingguo Shen; Ralf Haiges; Andrei K. Yudin; Thomas Mathew; George A. Olah","Conformational Study of 9-Dehydro-9-Trifluoromethyl Cinchona Alkaloids via 19F NMR Spectroscopy: Emergence of Trifluoromethyl Moiety as a Conformational Stabilizer and a Probe","Journal of the American Chemical Society","2011","133","","9992","9995","10.1021/ja202373d","","","0.71073","MoKα","","0.1818","0.0513","","","0.0878","0.1196","","","","","","0.705","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106339","8.293","0.002","8.115","0.002","12.531","0.003","90","","95.021","0.004","90","","840.1","0.4","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","1","","G. K. Surya Prakash; Fang Wang; Chuanfa Ni; Jingguo Shen; Ralf Haiges; Andrei K. Yudin; Thomas Mathew; George A. Olah","Conformational Study of 9-Dehydro-9-Trifluoromethyl Cinchona Alkaloids via 19F NMR Spectroscopy: Emergence of Trifluoromethyl Moiety as a Conformational Stabilizer and a Probe","Journal of the American Chemical Society","2011","133","","9992","9995","10.1021/ja202373d","","","0.71073","MoKα","","0.1113","0.0638","","","0.1257","0.147","","","","","","1.021","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106340","9.178","0.003","9.178","0.003","9.675","0.002","90","","90","","90","","815","0.4","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Hexathallium Tetraiodide Selenide","","- I4 Se Tl6 -","- I4 Se Tl6 -","- I8 Se2 Tl12 -","2","0.125","","Simon Johnsen; Zhifu Liu; John A. Peters; Jung-Hwan Song; Sandy Nguyen; Christos D. Malliakas; Hosub Jin; Arthur J. Freeman; Bruce W. Wessels; Mercouri G. Kanatzidis","Thallium Chalcohalides for X-ray and γ-ray Detection","Journal of the American Chemical Society","2011","133","","10030","10033","10.1021/ja202540t","","","","","","0.129","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106341","26.0742","0.0013","9.0076","0.0005","24.0854","0.0012","90","","111.493","0.001","90","","5263.5","0.5","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","AuBr(dppe)-0.5Et2O","","","- C56 H58 Au2 Br2 O P4 -","- C56 H58 Au2 Br2 O P4 -","- C224 H232 Au8 Br8 O4 P16 -","4","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0552","0.0314","","","0.0635","0.0713","","","","","","1.058","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106342","10.6725","0.0004","23.1389","0.0009","11.7127","0.0005","90","","106.416","0.004","90","","2774.5","0.2","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[AuBr(dppe)]2 .2DMSO","","","- C56 H60 Au2 Br2 O2 P4 S2 -","- C56 H60 Au2 Br2 O2 P4 S2 -","- C112 H120 Au4 Br4 O4 P8 S4 -","2","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0508","0.0264","","","0.0475","0.0555","","","","","","1.031","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106343","10.7883","0.0004","22.4579","0.0008","11.6966","0.0004","90","","108.544","0.004","90","","2686.75","0.18","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[AuBr(dppe)]2 .2CH2Cl2","","","- C54 H52 Au2 Br2 Cl4 P4 -","- C54 H52 Au2 Br2 Cl4 P4 -","- C108 H104 Au4 Br4 Cl8 P8 -","2","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0302","0.0225","","","0.051","0.0549","","","","","","0.986","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106344","9.1275","0.0004","12.0795","0.0005","13.7259","0.0006","67.432","0.003","71.848","0.003","83.965","0.004","1327.75","0.11","90","2","90","2","","","","","","","","6","P -1","-P 1","2","[Au(dppe)Br]-CH2Cl2","","","- C27 H26 Au Br Cl2 P2 -","- C27 H26 Au Br Cl2 P2 -","- C54 H52 Au2 Br2 Cl4 P4 -","2","1","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0381","0.0323","","","0.0808","0.0832","","","","","","1.08","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106345","11.8336","0.0004","14.4702","0.0005","15.2751","0.0005","77.09","0.002","78.172","0.002","80.294","0.003","2474.62","0.15","90","2","90","2","","","","","","","","6","P -1","-P 1","2","[Au2(dppe)2Br2].CH3CN","","","- C54 H51 Au2 Br2 N P4 -","- C54 H51 Au2 Br2 N P4 -","- C108 H102 Au4 Br4 N2 P8 -","2","1","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.019","0.0166","","","0.0398","0.0406","","","","","","1.023","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106346","11.0206","0.001","11.6968","0.0011","12.2211","0.0011","103.357","0.002","101.085","0.002","109.337","0.002","1382.9","0.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","[AuBr(dppe)]2.2(DMF)","","","- C58 H62 Au2 Br2 N2 O2 P4 -","- C58 H62 Au2 Br2 N2 O2 P4 -","- C58 H62 Au2 Br2 N2 O2 P4 -","1","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0273","0.021","","","0.0462","0.0488","","","","","","1.002","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106347","10.776","0.002","22.739","0.004","11.738","0.002","90","","106.848","0.003","90","","2752.8","0.8","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[AuBr(dppe)]2.2acetone","","","- C58 H60 Au2 Br2 O2 P4 -","- C58 H60 Au2 Br2 O2 P4 -","- C116 H120 Au4 Br4 O4 P8 -","2","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0294","0.0206","","","0.0422","0.0444","","","","","","1.032","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106348","11.753","0.0003","14.4241","0.0003","15.4879","0.0003","76.55","0.003","77.6","0.003","79.6","0.003","2470.35","0.1","90","2","90","2","","","","","","","","6","P -1","-P 1","2","AuBr(dppe)-Et2O","","","- C108 H106 Au4 Br4 O P8 -","- C108 H106 Au4 Br4 O P8 -","- C108 H106 Au4 Br4 O P8 -","1","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0328","0.0228","","","0.0439","0.0463","","","","","","1.013","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106349","37.841","0.005","37.841","0.005","15.799","0.003","90","","90","","120","","19592","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C160 H112 Cl24 N32 Zn12 -","- C160 H112 Cl24 N32 Zn12 -","- C480 H336 Cl72 N95.9999 Zn36 -","3","0.166667","","Johanna Heine; Jörn Schmedt auf der Günne; Stefanie Dehnen","Formation of a Strandlike Polycatenane of Icosahedral Cages for Reversible One-Dimensional Encapsulation of Guests","Journal of the American Chemical Society","2011","133","","10018","10021","10.1021/ja2030273","","","0.71073","MoKα","","0.2079","0.0811","","","0.2041","0.2312","","","","","","0.854","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106350","32.668","0.003","14.4026","0.0007","31.108","0.003","90","","100.533","0.007","90","","14390","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cl6 N12 Zn3 -","- C36 H24 Cl6 N12 Zn3 -","- C288 H192 Cl48 N96 Zn24 -","8","1","","Johanna Heine; Jörn Schmedt auf der Günne; Stefanie Dehnen","Formation of a Strandlike Polycatenane of Icosahedral Cages for Reversible One-Dimensional Encapsulation of Guests","Journal of the American Chemical Society","2011","133","","10018","10021","10.1021/ja2030273","","","0.71073","MoKα","","0.2307","0.0507","","","0.0654","0.085","","","","","","0.498","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106351","9.7312","0.0019","11.277","0.002","18.98","0.004","90","","103.29","0.03","90","","2027.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 I2 N4 Zn -","- C20 H14 I2 N4 Zn -","- C80 H56 I8 N16 Zn4 -","4","1","","Johanna Heine; Jörn Schmedt auf der Günne; Stefanie Dehnen","Formation of a Strandlike Polycatenane of Icosahedral Cages for Reversible One-Dimensional Encapsulation of Guests","Journal of the American Chemical Society","2011","133","","10018","10021","10.1021/ja2030273","","","0.71073","MoKα","","0.1717","0.0726","","","0.1471","0.171","","","","","","0.839","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106352","11.236","0.002","24.92","0.005","12.206","0.002","90","","117.21","0.03","90","","3039.5","1.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 B F16 P -","- C30 H28 B F16 P -","- C120 H112 B4 F64 P4 -","4","1","","Adam J. V. Marwitz; Jason L. Dutton; Lauren G. Mercier; Warren E. Piers","Dihydrogen Activation witht Bu3P/B(C6F5)3: A Chemically Competent Indirect Mechanism via in Situ-Generated p-tBu2P-C6F4-B(C6F5)2","Journal of the American Chemical Society","2011","133","","10026","10029","10.1021/ja203214f","","","0.71073","MoKα","","0.0928","0.0696","","","0.1231","0.1342","","","","","","1.147","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106353","26.224","0.005","4.8977","0.0009","15.896","0.003","90","","97.271","0.003","90","","2025.2","0.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Br2 -","- C22 H30 Br2 -","- C88 H120 Br8 -","4","1","","Elizabeth Amir; Roey J. Amir; Luis M. Campos; Craig J. Hawker","Stimuli-Responsive Azulene-Based Conjugated Oligomers with Polyaniline-like Properties","Journal of the American Chemical Society","2011","133","","10046","10049","10.1021/ja203267g","","","0.71073","MoKα","","0.1253","0.0576","","","0.1249","0.1627","","","","","","1.122","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106354","9.7574","0.0007","14.7261","0.001","14.4347","0.001","90","","104.03","0.004","90","","2012.2","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Br2 -","- C11 H6.5 Br2 -","- C88 H52 Br16 -","8","2","","Elizabeth Amir; Roey J. Amir; Luis M. Campos; Craig J. Hawker","Stimuli-Responsive Azulene-Based Conjugated Oligomers with Polyaniline-like Properties","Journal of the American Chemical Society","2011","133","","10046","10049","10.1021/ja203267g","","","1.54178","CuKα","","0.0739","0.0697","","","0.1758","0.1811","","","","","","1.121","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106355","17.753","0.004","8.1082","0.0016","23.17","0.005","90","","101.19","0.03","90","","3271.8","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H60 Cl2 N2 O21 -","- C61 H60 Cl2 N2 O21 -","- C122 H120 Cl4 N4 O42 -","2","1","","David L. Sloman; Jeffrey W. Bacon; John A. Porco","Total Synthesis and Absolute Stereochemical Assignment of Kibdelone C","Journal of the American Chemical Society","2011","133","","9952","9955","10.1021/ja203642n","","","1.54178","CuKα","","0.1068","0.0853","","","0.2271","0.2474","","","","","","1.038","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106356","10.8945","0.0006","9.8099","0.0005","13.8138","0.0009","90","","110.216","0.003","90","","1385.39","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H26 Br I O6 -","- C29 H26 Br I O6 -","- C58 H52 Br2 I2 O12 -","2","1","","David L. Sloman; Jeffrey W. Bacon; John A. Porco","Total Synthesis and Absolute Stereochemical Assignment of Kibdelone C","Journal of the American Chemical Society","2011","133","","9952","9955","10.1021/ja203642n","","","0.71073","MoKα","","0.0397","0.0309","","","0.0713","0.0752","","","","","","1.037","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106357","9.5376","0.0012","14.4981","0.0015","19.919","0.002","90","","95.283","0.003","90","","2742.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N4 O7 -","- C30 H26 N4 O5 -","- C120 H104 N16 O20 -","4","1","","Xiangbing Qi; Hongli Bao; Uttam K. Tambar","Total Synthesis of (\±)-Trigonoliimine C via Oxidative Rearrangement of an Unsymmetrical Bis-Tryptamine","Journal of the American Chemical Society","2011","133","","10050","10053","10.1021/ja203960b","","","0.71074","MoKα","","0.0926","0.0721","","","0.1832","0.1941","","","","","","1.075","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106358","9.934","0.002","10.977","0.002","14.781","0.003","101.908","0.005","92.052","0.005","112.872","0.005","1441","0.5","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 Cl2 N4 O5 -","- C31 H28 Cl2 N4 O5 -","- C62 H56 Cl4 N8 O10 -","2","1","","Xiangbing Qi; Hongli Bao; Uttam K. Tambar","Total Synthesis of (\±)-Trigonoliimine C via Oxidative Rearrangement of an Unsymmetrical Bis-Tryptamine","Journal of the American Chemical Society","2011","133","","10050","10053","10.1021/ja203960b","","","0.71075","MoKα","","0.1969","0.0794","","","0.1541","0.193","","","","","","1.013","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106359","23.75","0.0007","8.4366","0.0003","17.2033","0.0005","90","","108.97","0.001","90","","3259.8","0.18","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H53 Ge N2 -","- C35 H53 Ge N2 -","- C140 H212 Ge4 N8 -","4","0.5","","William D. Woodul; Emma Carter; Robert Müller; Anne F. Richards; Andreas Stasch; Martin Kaupp; Damien M. Murphy; Matthias Driess; Cameron Jones","A Neutral, Monomeric Germanium(I) Radical","Journal of the American Chemical Society","2011","133","","10074","10077","10.1021/ja204344e","","","0.71073","MoKα","","0.0347","0.0322","","","0.0758","0.0769","","","","","","1.107","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106360","10.7845","0.0003","21.0658","0.0005","28.4655","0.0007","90","","90","","90","","6466.9","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H54 Ge N2 -","- C35 H54 Ge N2 -","- C280 H432 Ge8 N16 -","8","1","","William D. Woodul; Emma Carter; Robert Müller; Anne F. Richards; Andreas Stasch; Martin Kaupp; Damien M. Murphy; Matthias Driess; Cameron Jones","A Neutral, Monomeric Germanium(I) Radical","Journal of the American Chemical Society","2011","133","","10074","10077","10.1021/ja204344e","","","0.71073","MoKα","","0.1707","0.0668","","","0.1451","0.1825","","","","","","1.013","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106361","12.668","0.003","18.474","0.004","18.756","0.004","118.73","0.03","92.63","0.03","100.38","0.03","3741","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H53 F3 N2 O3 S Sn -","- C36 H53 F3 N2 O3 S Sn -","- C144 H212 F12 N8 O12 S4 Sn4 -","4","2","","William D. Woodul; Emma Carter; Robert Müller; Anne F. Richards; Andreas Stasch; Martin Kaupp; Damien M. Murphy; Matthias Driess; Cameron Jones","A Neutral, Monomeric Germanium(I) Radical","Journal of the American Chemical Society","2011","133","","10074","10077","10.1021/ja204344e","","","0.71073","MoKα","","0.0716","0.0385","","","0.0657","0.0755","","","","","","1.04","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106362","13.924","0.003","20.046","0.004","24.386","0.005","90","","90.09","0.03","90","","6807","2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H94 Cl Ge Mg2 N6 -","- C72 H94 Cl Ge Mg2 N6 -","- C288 H376 Cl4 Ge4 Mg8 N24 -","4","1","","William D. Woodul; Emma Carter; Robert Müller; Anne F. Richards; Andreas Stasch; Martin Kaupp; Damien M. Murphy; Matthias Driess; Cameron Jones","A Neutral, Monomeric Germanium(I) Radical","Journal of the American Chemical Society","2011","133","","10074","10077","10.1021/ja204344e","","","0.71073","MoKα","","0.1395","0.0617","","","0.1104","0.1329","","","","","","1.014","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106363","14.666","0.0016","10.4157","0.0012","16.7525","0.0018","90","","113.904","0.002","90","","2339.6","0.4","223.1","","223","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H29 F3 Ir N O5 -","- C20 H29 F3 Ir N O5 -","- C80 H116 F12 Ir4 N4 O20 -","4","1","","Nathan D. Schley; James D. Blakemore; Navaneetha K. Subbaiyan; Christopher D. Incarvito; Francis D'Souza; Robert H. Crabtree; Gary W. Brudvig","Distinguishing Homogeneous from Heterogeneous Catalysis in Electrode-Driven Water Oxidation with Molecular Iridium Complexes","Journal of the American Chemical Society","2011","133","","10473","10481","10.1021/ja2004522","","","0.71075","MoKα","","","0.0471","","","","0.0647","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106364","17.8157","0.0013","8.8933","0.0007","20.7581","0.0016","90","","91.952","0.006","90","","3287","0.4","223","","223","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H25 Ir O9 S -","- C10 H25 Ir O9 S -","- C80 H200 Ir8 O72 S8 -","8","1","","Nathan D. Schley; James D. Blakemore; Navaneetha K. Subbaiyan; Christopher D. Incarvito; Francis D'Souza; Robert H. Crabtree; Gary W. Brudvig","Distinguishing Homogeneous from Heterogeneous Catalysis in Electrode-Driven Water Oxidation with Molecular Iridium Complexes","Journal of the American Chemical Society","2011","133","","10473","10481","10.1021/ja2004522","","","0.71075","MoKα","","","0.055","","","","0.0772","","","","","","1.126","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106365","11.059","0.0003","12.0323","0.0003","15.5916","0.0004","90","","90","","90","","2074.7","0.09","93.1","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl Ir N O3 -","- C20 H29 Cl Ir N O3 -","- C80 H116 Cl4 Ir4 N4 O12 -","4","1","","Nathan D. Schley; James D. Blakemore; Navaneetha K. Subbaiyan; Christopher D. Incarvito; Francis D'Souza; Robert H. Crabtree; Gary W. Brudvig","Distinguishing Homogeneous from Heterogeneous Catalysis in Electrode-Driven Water Oxidation with Molecular Iridium Complexes","Journal of the American Chemical Society","2011","133","","10473","10481","10.1021/ja2004522","","","0.71075","MoKα","","","0.0265","","","","0.05","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106366","16.51","0.003","14.417","0.003","14.91","0.003","90","","90","","90","","3548.9","1.2","173","2","173","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C88 H64 Cu4 F24 N16 O24 S8 -","4","0.5","","Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh","Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities","Journal of the American Chemical Society","2011","133","","10512","10522","10.1021/ja201170c","","","0.71073","MoKα","","0.1096","0.0704","","0.2133","0.1965","","","","1.072","","","","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106367","28.5955","0.0013","28.5955","0.0013","18.0782","0.0008","90","","90","","90","","14782.6","1.2","173","2","173","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh","Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities","Journal of the American Chemical Society","2011","133","","10512","10522","10.1021/ja201170c","","","0.71073","MoKα","","0.1069","0.0871","","0.2542","0.2398","","","","1.063","","","","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106368","28.564","0.002","28.564","0.002","18.2725","0.0013","90","","90","","90","","14908.6","1.8","173","2","173","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh","Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities","Journal of the American Chemical Society","2011","133","","10512","10522","10.1021/ja201170c","","","0.71073","MoKα","","0.0973","0.0899","","0.2636","0.2572","","","","1.044","","","","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106369","28.546","0.004","28.546","0.004","18.064","0.004","90","","90","","90","","14720","4","183","2","183","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh","Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities","Journal of the American Chemical Society","2011","133","","10512","10522","10.1021/ja201170c","","","0.71073","MoKα","","0.1324","0.0992","","0.2754","0.2606","","","","1.081","","","","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106370","10.7441","0.0002","12.8452","0.0002","16.0582","0.0004","99.988","0.001","99.343","0.001","112.382","0.001","1953.68","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 B F8 Ir N8 -","- C42 H32 B F8 Ir N8 -","- C84 H64 B2 F16 Ir2 N16 -","2","1","","Jesús M. Fernández-Hernández; Cheng-Han Yang; Juan I. Beltrán; Vincent Lemaur; Federico Polo; Roland Fröhlich; Jêrôme Cornil; Luisa De Cola","Control of the Mutual Arrangement of Cyclometalated Ligands in Cationic Iridium(III) Complexes. Synthesis, Spectroscopy, and Electroluminescence of the Different Isomers","Journal of the American Chemical Society","2011","133","","10543","10558","10.1021/ja201691b","","","0.71073","MoKα","","0.0483","0.0432","","","0.1","0.1049","","","","","","1.011","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106371","11.0372","0.0003","12.6438","0.0004","12.8273","0.0005","84.336","0.002","84.36","0.001","89.064","0.003","1772.67","0.1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 Cl F4 Ir N9 -","- C36 H29 Cl F4 Ir N9 -","- C72 H58 Cl2 F8 Ir2 N18 -","2","1","","Jesús M. Fernández-Hernández; Cheng-Han Yang; Juan I. Beltrán; Vincent Lemaur; Federico Polo; Roland Fröhlich; Jêrôme Cornil; Luisa De Cola","Control of the Mutual Arrangement of Cyclometalated Ligands in Cationic Iridium(III) Complexes. Synthesis, Spectroscopy, and Electroluminescence of the Different Isomers","Journal of the American Chemical Society","2011","133","","10543","10558","10.1021/ja201691b","","","0.71073","MoKα","","0.092","0.0876","","","0.2568","0.2625","","","","","","1.084","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106372","12.2919","0.0007","15.2576","0.0006","18.8846","0.0011","72.215","0.002","81.976","0.003","73.821","0.004","3233.1","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H40 Cl2 F8 Ir2 N12 -","- C60 H40 Cl2 F8 Ir2 N12 -","- C120 H80 Cl4 F16 Ir4 N24 -","2","1","","Jesús M. Fernández-Hernández; Cheng-Han Yang; Juan I. Beltrán; Vincent Lemaur; Federico Polo; Roland Fröhlich; Jêrôme Cornil; Luisa De Cola","Control of the Mutual Arrangement of Cyclometalated Ligands in Cationic Iridium(III) Complexes. Synthesis, Spectroscopy, and Electroluminescence of the Different Isomers","Journal of the American Chemical Society","2011","133","","10543","10558","10.1021/ja201691b","","","1.54178","CuKα","","0.0693","0.0557","","","0.1495","0.1568","","","","","","1.061","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106373","13.736","0.0002","15.4417","0.0002","19.8877","0.0003","90","","105.825","0.001","90","","4058.45","0.1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 F10 Ir N8 O P -","- C43 H36 F10 Ir N8 O P -","- C172 H144 F40 Ir4 N32 O4 P4 -","4","1","","Jesús M. Fernández-Hernández; Cheng-Han Yang; Juan I. Beltrán; Vincent Lemaur; Federico Polo; Roland Fröhlich; Jêrôme Cornil; Luisa De Cola","Control of the Mutual Arrangement of Cyclometalated Ligands in Cationic Iridium(III) Complexes. Synthesis, Spectroscopy, and Electroluminescence of the Different Isomers","Journal of the American Chemical Society","2011","133","","10543","10558","10.1021/ja201691b","","","0.71073","MoKα","","0.0837","0.0621","","","0.1395","0.1564","","","","","","1.042","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106374","13.0906","0.0003","25.0294","0.0005","19.5896","0.0005","90","","91.78","0.001","90","","6415.4","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl F4 Ir N7 O0.5 -","- C34 H28 Cl F4 Ir N7 O0.5 -","- C272 H224 Cl8 F32 Ir8 N56 O4 -","8","2","","Jesús M. Fernández-Hernández; Cheng-Han Yang; Juan I. Beltrán; Vincent Lemaur; Federico Polo; Roland Fröhlich; Jêrôme Cornil; Luisa De Cola","Control of the Mutual Arrangement of Cyclometalated Ligands in Cationic Iridium(III) Complexes. Synthesis, Spectroscopy, and Electroluminescence of the Different Isomers","Journal of the American Chemical Society","2011","133","","10543","10558","10.1021/ja201691b","","","0.71073","MoKα","","0.1161","0.099","","","0.2538","0.2662","","","","","","1.215","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106375","13.328","0.0009","17.0039","0.0012","20.3398","0.0014","87.468","0.001","74.133","0.001","73.729","0.001","4253.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C105.55 H88.69 Fe2 N2 O9 S -","- C105.551 H88.694 Fe2 N2 O9 S -","- C211.102 H177.388 Fe4 N4 O18 S2 -","2","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.082","0.047","","","0.0906","0.1029","","","","","","1.016","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106376","15.1504","0.0018","17.19","0.002","17.956","0.002","117.07","0.002","92.599","0.002","108.544","0.002","3846.5","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C91.38 H82.57 Cl0.83 Fe2 N2 O9 S -","- C91.385 H82.579 Cl0.83 Fe2 N2 O9 S -","- C182.77 H165.158 Cl1.66 Fe4 N4 O18 S2 -","2","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.1152","0.0982","","","0.2493","0.2622","","","","","","1.076","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106377","16.6129","0.0008","20.5472","0.0009","21.677","0.0013","90","","107.376","0.001","90","","7061.7","0.6","110","2","110","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C66.91 H57 Ag Cl9.82 Fe2 N2 O17 S -","- C66.9124 H57 Ag Cl9.8248 Fe2 N2 O17 S -","- C267.65 H228 Ag4 Cl39.2992 Fe8 N8 O68 S4 -","4","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.0427","0.0402","","","0.1057","0.1082","","","","","","1.036","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106378","15.2273","0.0015","16.6307","0.0016","37.426","0.004","90","","92.975","0.002","90","","9465","1.6","446","2","446","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H96 Fe2 N2 O12 S -","- C120 H96 Fe2 N2 O12 S -","- C480 H384 Fe8 N8 O48 S4 -","4","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.0609","0.0472","","","0.1245","0.1334","","","","","","1.04","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106379","14.2464","0.0008","15.8784","0.0009","19.3834","0.0011","66.385","0.001","69.752","0.001","64.301","0.001","3540.4","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C172 H148 Fe4 N4 O20 S2 -","- C172 H148 Fe4 N4 O20 S2 -","- C172 H148 Fe4 N4 O20 S2 -","1","0.5","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.077","0.052","","","0.1198","0.1303","","","","","","1.079","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106380","12.2687","0.001","25.927","0.002","48.485","0.004","90","","90","","90","","15423","2","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H72 Fe2 N5 O10.26 S -","- C90 H72 Fe2 N5 O10.253 S -","- C720 H576 Fe16 N40 O82.024 S8 -","8","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.1159","0.0906","","","0.1851","0.1961","","","","","","1.19","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106381","9.1283","0.0014","13.111","0.002","15.352","0.002","110.235","0.002","97.621","0.001","101.275","0.003","1650.2","0.4","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 Cl4 Cu P2 -","- C35 H33 Cl4 Cu P2 -","- C70 H66 Cl8 Cu2 P4 -","2","1","","Masashi Hashimoto; Satoshi Igawa; Masataka Yashima; Isao Kawata; Mikio Hoshino; Masahisa Osawa","Highly Efficient Green Organic Light-Emitting Diodes Containing Luminescent Three-Coordinate Copper(I) Complexes","Journal of the American Chemical Society","2011","133","","10348","10351","10.1021/ja202965y","","","0.71073","MoKα","","0.0668","0.0588","","","0.158","0.1654","","","","","","1.101","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106382","9.0987","0.0012","12.9326","0.0019","13.1036","0.0018","81.81","0.006","72.852","0.005","80.989","0.006","1447.6","0.4","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Br Cu P2 -","- C34 H32 Br Cu P2 -","- C68 H64 Br2 Cu2 P4 -","2","1","","Masashi Hashimoto; Satoshi Igawa; Masataka Yashima; Isao Kawata; Mikio Hoshino; Masahisa Osawa","Highly Efficient Green Organic Light-Emitting Diodes Containing Luminescent Three-Coordinate Copper(I) Complexes","Journal of the American Chemical Society","2011","133","","10348","10351","10.1021/ja202965y","","","0.71073","MoKα","","0.0711","0.0497","","","0.115","0.1313","","","","","","0.957","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106383","15.1308","0.0016","11.0116","0.001","18.3409","0.0018","90","","102.835","0.002","90","","2979.5","0.5","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cu I P2 -","- C34 H32 Cu I P2 -","- C136 H128 Cu4 I4 P8 -","4","1","","Masashi Hashimoto; Satoshi Igawa; Masataka Yashima; Isao Kawata; Mikio Hoshino; Masahisa Osawa","Highly Efficient Green Organic Light-Emitting Diodes Containing Luminescent Three-Coordinate Copper(I) Complexes","Journal of the American Chemical Society","2011","133","","10348","10351","10.1021/ja202965y","","","0.71073","MoKα","","0.0422","0.0308","","","0.07","0.0772","","","","","","1.02","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106384","9.6087","0.0006","28.2031","0.0016","5.4415","0.0003","90","","90","","90","","1474.62","0.15","93","2","93","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","1","","Stepan Chuprakov; Jamal A. Malik; Mikhail Zibinsky; Valery V. Fokin","Catalytic Asymmetric C-H Insertions of Rhodium(II) Azavinyl Carbenes","Journal of the American Chemical Society","2011","133","","10352","10355","10.1021/ja202969z","","","1.54178","CuKα","","0.0288","0.0281","","","0.0776","0.0783","","","","","","0.999","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106385","5.8072","0.0003","12.3826","0.0005","22.37","0.0009","90","","90","","90","","1608.59","0.12","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O3 -","- C17 H20 Br N O3 -","- C68 H80 Br4 N4 O12 -","4","1","","Daniel A. DiRocco; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Enals with Nitroalkenes: Enhancement of Catalytic Efficiency through Bifunctional Additives","Journal of the American Chemical Society","2011","133","","10402","10405","10.1021/ja203810b","","","0.71073","MoKα","","0.0619","0.0379","","","0.0931","0.1594","","","","","","1.179","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106386","7.65","0.002","11.016","0.003","18.306","0.002","90","","94.81","0.01","90","","1537.3","0.6","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Yoshihiro Oonishi; Akihito Hosotani; Yoshihiro Sato","Rh(I)-Catalyzed Formal [6 + 2] Cycloaddition of 4-Allenals with Alkynes or Alkenes in a Tether","Journal of the American Chemical Society","2011","133","","10386","10389","10.1021/ja203824v","","","0.7107","MoKα","","","0.0499","","","","0.0713","","","","","","1.884","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106387","6.926","0.0002","20.9628","0.001","24.1363","0.0008","90","","90","","90","","3504.3","0.2","150","2","150","2","","","","","","","synthesis as described","3","P n a a","-P 2ac 2bc","56","","","","- C23 H23 N -","- C23 H23 N -","- C184 H184 N8 -","8","1","","Basker Sundararaju; Mathieu Achard; Gangavaram V. M. Sharma; Christian Bruneau","sp3 C-H Bond Activation with Ruthenium(II) Catalysts and C(3)-Alkylation of Cyclic Amines","Journal of the American Chemical Society","2011","133","","10340","10343","10.1021/ja203875d","","x-ray","0.71073","MoKα","","0.0609","0.0415","","","0.095","0.1055","","","","","","1.043","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106388","13.4976","0.0009","14.9955","0.0011","17.1276","0.0012","90","","90","","90","","3466.7","0.4","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H49 F Hf2 N2 -","- C38 H49 F Hf2 N2 -","- C152 H196 F4 Hf8 N8 -","4","0.5","","Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Silylation and Cleavage with a Hafnocene Complex","Journal of the American Chemical Society","2011","133","","10406","10409","10.1021/ja2042595","","","0.71073","MoKα","","0.0279","0.0199","","","0.0467","0.0495","","","","","","1.031","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106389","9.28","0.0019","18.39","0.004","23.14","0.005","90","","92.77","0.03","90","","3944.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H58 Hf2 N2 Si -","- C38 H58 Hf2 N2 Si -","- C152 H232 Hf8 N8 Si4 -","4","1","","Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Silylation and Cleavage with a Hafnocene Complex","Journal of the American Chemical Society","2011","133","","10406","10409","10.1021/ja2042595","","","0.71073","MoKα","","0.0245","0.0202","","","0.0472","0.0489","","","","","","1.024","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106390","11.4624","0.0008","20.4735","0.0014","17.7603","0.0014","90","","92.51","0.004","90","","4163.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H69 Hf2 N3 Si -","- C45 H69 Hf2 N3 Si -","- C180 H276 Hf8 N12 Si4 -","4","1","","Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Silylation and Cleavage with a Hafnocene Complex","Journal of the American Chemical Society","2011","133","","10406","10409","10.1021/ja2042595","","","0.71073","MoKα","","0.0494","0.0367","","","0.0824","0.0878","","","","","","1.054","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106391","41.29","0.006","9.5098","0.0013","19.378","0.003","90","","92.26","0.001","90","","7603","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H62 Hf2 N2 O1.5 Si -","- C41 H62 Hf2 N2 O1.5 Si -","- C328 H496 Hf16 N16 O12 Si8 -","8","1","","Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Silylation and Cleavage with a Hafnocene Complex","Journal of the American Chemical Society","2011","133","","10406","10409","10.1021/ja2042595","","","0.71073","MoKα","","0.0272","0.0175","","","0.0357","0.0386","","","","","","1.022","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4106392","15.8123","0.0017","10.6953","0.0012","20.997","0.002","90","","104.481","0.001","90","","3438.1","0.6","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H54 Fe I N2 O2 Sc Si2 -","- C30 H54 Fe I N2 O2 Sc Si2 -","- C120 H216 Fe4 I4 N8 O8 Sc4 Si8 -","4","0.5","","Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu","Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand","Journal of the American Chemical Society","2011","133","","10410","10413","10.1021/ja204304f","","","0.71073","MoKα","","0.0316","0.0257","","","0.0626","0.0656","","","","","","1.008","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106393","10.011","0.002","11.76","0.002","15.043","0.003","86.243","0.002","83.769","0.002","73.395","0.002","1686","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H100 Fe2 N4 Sc2 Si4 -","- C68 H100 Fe2 N4 Sc2 Si4 -","- C68 H100 Fe2 N4 Sc2 Si4 -","1","0.5","","Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu","Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand","Journal of the American Chemical Society","2011","133","","10410","10413","10.1021/ja204304f","","","0.71073","MoKα","","0.1105","0.0851","","","0.2043","0.2266","","","","","","1.004","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106394","26.691","0.007","16.168","0.004","32.429","0.011","90","","110.325","0.002","90","","13123","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H86 Fe2 N4 Sc2 Si4 -","- C58 H86 Fe2 N4 Sc2 Si4 -","- C464 H688 Fe16 N32 Sc16 Si32 -","8","1","","Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu","Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand","Journal of the American Chemical Society","2011","133","","10410","10413","10.1021/ja204304f","","","0.71073","MoKα","","0.0649","0.0431","","","0.1071","0.1158","","","","","","1.029","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106395","16.272","0.003","16.272","0.003","28.578","0.005","90","","90","","90","","7567","2","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C70 H110 Fe2 N8 Sc2 Si4 -","- C70 H110 Fe2 N8 Sc2 Si4 -","- C280 H440 Fe8 N32 Sc8 Si16 -","4","0.5","","Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu","Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand","Journal of the American Chemical Society","2011","133","","10410","10413","10.1021/ja204304f","","","0.71073","MoKα","","0.0605","0.0391","","","0.0888","0.0995","","","","","","1.019","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106396","12.059","0.002","12.249","0.002","24.195","0.004","77.809","0.002","89.552","0.002","62.914","0.002","3094.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H86 Fe2 N4 Sc2 Si4 -","- C60 H86 Fe2 N4 Sc2 Si4 -","- C120 H172 Fe4 N8 Sc4 Si8 -","2","1","","Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu","Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand","Journal of the American Chemical Society","2011","133","","10410","10413","10.1021/ja204304f","","","0.71073","MoKα","","0.0859","0.0649","","","0.1767","0.1938","","","","","","1.037","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106397","6.2292","0.0004","13.004","0.0008","15.5592","0.001","90","","97.069","0.004","90","","1250.79","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","2","","Charles P. Frazier; Jarred R. Engelking; Javier Read de Alaniz","Copper-Catalyzed Aerobic Oxidation of Hydroxamic Acids Leads to a Mild and Versatile Acylnitroso Ene Reaction","Journal of the American Chemical Society","2011","133","","10430","10433","10.1021/ja204603u","","","1.54178","CuKα","","0.0609","0.0603","","","0.1657","0.1662","","","","","","2.515","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106398","9.881","0.002","9.6458","0.0019","13.423","0.003","90","","97.27","0.03","90","","1269.1","0.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H20 Cl4 -","- C32 H20 Cl4 -","- C64 H40 Cl8 -","2","1","","Zhong-Ke Yao; Zhi-Xiang Yu","Mechanisms of the Thermal Cyclotrimerizations of Fluoro- and Chloroacetylenes: Density Functional Theory Investigation and Intermediate Trapping Experiments","Journal of the American Chemical Society","2011","133","","10864","10877","10.1021/ja2021476","","","0.71073","MoKα","","0.0373","0.0345","","","0.0935","0.1043","","","","","","1.176","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106399","6.1198","0.0012","14.968","0.003","20.82","0.004","90","","92.52","0.03","90","","1905.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl2 O4 -","- C22 H16 Cl2 O4 -","- C88 H64 Cl8 O16 -","4","1","","Zhong-Ke Yao; Zhi-Xiang Yu","Mechanisms of the Thermal Cyclotrimerizations of Fluoro- and Chloroacetylenes: Density Functional Theory Investigation and Intermediate Trapping Experiments","Journal of the American Chemical Society","2011","133","","10864","10877","10.1021/ja2021476","","","0.71073","MoKα","","0.048","0.0434","","","0.1105","0.1138","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106400","13.834","0.003","17.699","0.004","10.49","0.002","90","","130.56","0.03","90","","1951.3","1.1","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H7.5 Cl1.5 -","- C12 H7.5 Cl1.5 -","- C96 H60 Cl12 -","8","1","","Zhong-Ke Yao; Zhi-Xiang Yu","Mechanisms of the Thermal Cyclotrimerizations of Fluoro- and Chloroacetylenes: Density Functional Theory Investigation and Intermediate Trapping Experiments","Journal of the American Chemical Society","2011","133","","10864","10877","10.1021/ja2021476","","","0.71073","MoKα","","0.0441","0.0333","","","0.0801","0.0844","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106401","11.473","0.0015","11.2327","0.0016","15.079","0.002","90","","97.682","0.009","90","","1925.8","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Cl3 -","- C24 H15 Cl3 -","- C96 H60 Cl12 -","4","1","","Zhong-Ke Yao; Zhi-Xiang Yu","Mechanisms of the Thermal Cyclotrimerizations of Fluoro- and Chloroacetylenes: Density Functional Theory Investigation and Intermediate Trapping Experiments","Journal of the American Chemical Society","2011","133","","10864","10877","10.1021/ja2021476","","","1.54186","CuKα","","0.053","0.0447","","","0.0945","0.099","","","","","","1.138","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106402","10.225","0.002","12.729","0.003","36.869","0.007","90","","93.69","0.03","90","","4788.7","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Co4(O2)2(bpbp)2(BDC)](PF6)4","","","- C80 H82 Co4 F24 N12 O10 P4 -","- C80 H82 Co4 F24 N12 O10 P4 -","- C160 H164 Co8 F48 N24 O20 P8 -","2","0.5","","Peter D. Southon; David J. Price; Pia K. Nielsen; Christine J. McKenzie; Cameron J. Kepert","Reversible and Selective O2 Chemisorption in a Porous Metal-Organic Host Material","Journal of the American Chemical Society","2011","133","","10885","10891","10.1021/ja202228v","","x-ray","0.652529","synchrotron","","0.0968","0.0904","","","0.2587","0.2658","","","","","","1.025","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106403","13.7017","0.0008","12.657","0.0006","20.2986","0.0015","90","","103.648","0.008","90","","3420.8","0.4","223","","223","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71 H75 Cl N2 O6 P2 Ru -","- C71 H75 Cl N2 O6 P2 Ru -","- C142 H150 Cl2 N4 O12 P4 Ru2 -","2","1","","Kazuhiko Matsumura; Noriyoshi Arai; Kiyoto Hori; Takao Saito; Noboru Sayo; Takeshi Ohkuma","Chiral Ruthenabicyclic Complexes: Precatalysts for Rapid, Enantioselective, and Wide-Scope Hydrogenation of Ketones","Journal of the American Chemical Society","2011","133","","10696","10699","10.1021/ja202296w","","","0.71075","MoKα","","","0.0687","","","","0.1917","","","","","","1.027","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106404","11.422","0.005","31.628","0.014","12.113","0.005","90","","95.339","0.01","90","","4357","3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H74 N2 P2 Si Ti -","- C39 H74 N2 P2 Si Ti -","- C156 H296 N8 P8 Si4 Ti4 -","4","0.5","","Vincent N. Cavaliere; Marco G. Crestani; Balazs Pinter; Maren Pink; Chun-Hsing Chen; Mu-Hyun Baik; Daniel J. Mindiola","Room Temperature Dehydrogenation of Ethane to Ethylene","Journal of the American Chemical Society","2011","133","","10700","10703","10.1021/ja202316m","","","0.71073","MoKα","","0.105","0.0626","","0.1707","0.1558","0.1707","","","","","","0.9579","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106405","14.204","0.002","12.406","0.002","25.237","0.005","90","","101.599","0.003","90","","4356.3","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H71 N2 O0.5 P2 Ti -","- C43 H71 N2 O0.5 P2 Ti -","- C172 H284 N8 O2 P8 Ti4 -","4","1","","Vincent N. Cavaliere; Marco G. Crestani; Balazs Pinter; Maren Pink; Chun-Hsing Chen; Mu-Hyun Baik; Daniel J. Mindiola","Room Temperature Dehydrogenation of Ethane to Ethylene","Journal of the American Chemical Society","2011","133","","10700","10703","10.1021/ja202316m","","","0.71073","MoKα","","0.1435","0.0635","","","0.1192","0.1458","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106406","8.6027","0.0007","10.4781","0.0008","17.9484","0.0014","90","","96.017","0.001","90","","1609","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0387","0.0343","","","0.0923","0.0969","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106407","9.0692","0.0008","10.1549","0.0009","17.5809","0.0016","90","","101.023","0.001","90","","1589.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 I N O3 -","- C14 H18 I N O3 -","- C56 H72 I4 N4 O12 -","4","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0486","0.0299","","","0.058","0.0639","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106408","10.5493","0.0015","16.05","0.002","20.088","0.003","90","","90","","90","","3401.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C152 H160 N16 O32 -","8","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0911","0.0675","","","0.1556","0.1623","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106409","7.9952","0.0002","8.7279","0.0003","12.715","0.001","93.2104","0.001","94.7131","0.001","97.9838","0.0005","873.65","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 I N2 O4 -","- C18 H17 I N2 O4 -","- C36 H34 I2 N4 O8 -","2","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0194","0.018","","","0.0426","0.0432","","","","","","1.062","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106410","8.1287","0.0003","20.4002","0.0008","17.2759","0.0007","90","","92.13","0.001","90","","2862.83","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 I N3 O5 -","- C30 H32 I N3 O5 -","- C120 H128 I4 N12 O20 -","4","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0241","0.0224","","","0.053","0.0537","","","","","","1.104","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106411","5.739","0.003","10.225","0.006","12.543","0.007","82.33","0.02","77.27","0.02","75.35","0.02","692.2","0.7","103","2","103","2","","","","","","","","2","P -1","-P 1","2","","","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","Kenji Mochida; Katsuaki Kawasumi; Yasutomo Segawa; Kenichiro Itami","Direct Arylation of Polycyclic Aromatic Hydrocarbons through Palladium Catalysis","Journal of the American Chemical Society","2011","133","","10716","10719","10.1021/ja202975w","","","0.7107","MoKα","","0.0935","0.0599","","","0.1337","0.1552","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106412","7.91","0.003","29.258","0.011","8.208","0.003","90","","111.797","0.006","90","","1763.8","1.1","103","2","103","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 -","- C25 H20 -","- C100 H80 -","4","1","","Kenji Mochida; Katsuaki Kawasumi; Yasutomo Segawa; Kenichiro Itami","Direct Arylation of Polycyclic Aromatic Hydrocarbons through Palladium Catalysis","Journal of the American Chemical Society","2011","133","","10716","10719","10.1021/ja202975w","","","0.7107","MoKα","","0.1193","0.0664","","","0.1331","0.1555","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106413","3.902","0.0015","12.153","0.005","19.4","0.008","85.547","0.012","85.134","0.011","78.235","0.012","895.7","0.6","103","2","103","2","","","","","","","","2","P -1","-P 1","2","","","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","1","","Kenji Mochida; Katsuaki Kawasumi; Yasutomo Segawa; Kenichiro Itami","Direct Arylation of Polycyclic Aromatic Hydrocarbons through Palladium Catalysis","Journal of the American Chemical Society","2011","133","","10716","10719","10.1021/ja202975w","","","0.7107","MoKα","","0.0954","0.0564","","","0.1211","0.1419","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106414","9.3966","0.0017","18.915","0.003","25.413","0.005","90","","97.701","0.003","90","","4476.1","1.4","93.15","","93.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 Cl3 N2 O3 Ti -","- C48 H59 Cl3 N2 O3 Ti -","- C192 H236 Cl12 N8 O12 Ti4 -","4","1","","Koji Nakano; Kazuki Kobayashi; Kyoko Nozaki","Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide","Journal of the American Chemical Society","2011","133","","10720","10723","10.1021/ja203382q","","","0.71075","MoKα","","0.0893","0.0707","","","0.1731","0.1888","","","","","","1.069","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106415","9.3439","0.0013","19.022","0.003","25.892","0.004","90","","98.68","0.002","90","","4549.3","1.2","93.15","","93.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 Cl3 N2 O3 Zr -","- C48 H59 Cl3 N2 O3 Zr -","- C192 H236 Cl12 N8 O12 Zr4 -","4","1","","Koji Nakano; Kazuki Kobayashi; Kyoko Nozaki","Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide","Journal of the American Chemical Society","2011","133","","10720","10723","10.1021/ja203382q","","","0.71075","MoKα","","0.0723","0.0574","","","0.1202","0.1292","","","","","","1.123","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106416","14.9342","0.0018","21.214","0.003","23.28","0.003","90","","90","","90","","7375.4","1.7","93.15","","93.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H49 Cl Ge N2 O2 -","- C43 H49 Cl Ge N2 O2 -","- C344 H392 Cl8 Ge8 N16 O16 -","8","1","","Koji Nakano; Kazuki Kobayashi; Kyoko Nozaki","Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide","Journal of the American Chemical Society","2011","133","","10720","10723","10.1021/ja203382q","","","0.71075","MoKα","","0.0815","0.0745","","","0.1465","0.15","","","","","","1.253","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106417","9.453","0.004","18.891","0.009","25.813","0.012","90","","96.559","0.009","90","","4579","4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H57 Cl N2 O3 Sn -","- C47 H57 Cl N2 O3 Sn -","- C188 H228 Cl4 N8 O12 Sn4 -","4","1","","Koji Nakano; Kazuki Kobayashi; Kyoko Nozaki","Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide","Journal of the American Chemical Society","2011","133","","10720","10723","10.1021/ja203382q","","","0.71075","MoKα","","0.2085","0.1637","","","0.3702","0.4006","","","","","","1.11","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106418","9.0424","0.0002","21.397","0.0005","10.3352","0.0003","90","","114.417","0.001","90","","1820.81","0.08","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C36 H44 Cl2 P2 Pd2 -","- C36 H44 Cl2 P2 Pd2 -","- C72 H88 Cl4 P4 Pd4 -","2","1","","David Gatineau; Laurent Giordano; Gérard Buono","Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates","Journal of the American Chemical Society","2011","133","","10728","10731","10.1021/ja2034816","","x-ray","0.71073","MoKα","","0.0754","0.0397","","","0.0596","0.0663","","","","","","0.829","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106419","9.5513","0.0002","9.6961","0.0002","20.0734","0.0006","90","","90","","90","","1859","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 O2 P -","- C20 H27 O2 P -","- C80 H108 O8 P4 -","4","1","","David Gatineau; Laurent Giordano; Gérard Buono","Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates","Journal of the American Chemical Society","2011","133","","10728","10731","10.1021/ja2034816","","x-ray","0.71073","MoKα","","0.1063","0.0602","","","0.1682","0.2272","","","","","","1.237","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106420","9.2291","0.0002","21.3493","0.0004","19.9819","0.0005","90","","93.583","0.001","90","","3929.43","0.15","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 O4 P2 Pd2 -","- C40 H50 O4 P2 Pd2 -","- C160 H200 O16 P8 Pd8 -","4","1","","David Gatineau; Laurent Giordano; Gérard Buono","Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates","Journal of the American Chemical Society","2011","133","","10728","10731","10.1021/ja2034816","","x-ray","0.71073","MoKα","","0.1206","0.0526","","","0.1362","0.1746","","","","","","1.057","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106421","9.2234","0.0003","14.0422","0.0004","13.6223","0.0005","90","","96.874","0.001","90","","1751.63","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H26 B P -","- C18 H26 B P -","- C72 H104 B4 P4 -","4","2","","David Gatineau; Laurent Giordano; Gérard Buono","Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates","Journal of the American Chemical Society","2011","133","","10728","10731","10.1021/ja2034816","","x-ray","0.71073","MoKα","","0.143","0.0783","","","0.2022","0.2556","","","","","","1.115","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106422","9.1415","0.0017","10.268","0.002","12.839","0.003","91.609","0.003","93.379","0.003","92.45","0.003","1201.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N4 O6 -","- C25 H26 N4 O6 -","- C50 H52 N8 O12 -","2","1","","Weiping Liu; Yuanming Li; Kaisheng Liu; Zhiping Li","Iron-Catalyzed Carbonylation-Peroxidation of Alkenes with Aldehydes and Hydroperoxides","Journal of the American Chemical Society","2011","133","","10756","10759","10.1021/ja204226n","","","0.71073","MoKα","","0.0697","0.0443","","","0.0975","0.1085","","","","","","1.032","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106423","19.851","0.004","19.999","0.004","22.525","0.005","100.93","0.03","96.65","0.03","117.31","0.03","7588","4","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C119.03 H135.04 Cl6 N25.01 Nd2 O36 -","- C119.014 H135.021 Cl5.526 N25.007 Nd2 O34.104 -","- C238.028 H270.042 Cl11.052 N50.014 Nd4 O68.208 -","2","1","","Badr El Aroussi; Soumaila Zebret; Céline Besnard; Philippe Perrottet; Josef Hamacek","Rational Design of a Ternary Supramolecular System: Self-Assembly of Pentanuclear Lanthanide Helicates","Journal of the American Chemical Society","2011","133","","10764","10767","10.1021/ja204474v","","","0.71073","MoKα","","0.0757","0.0566","","","0.153","0.1675","","","","","","1.045","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106424","22.88","0.02","24.28","0.02","25.54","0.01","90","","90","","90","","14188","18","220","","220","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C121.08 H130.62 Cl6 Lu2 N23.54 O37 -","- C121.08 H130.62 Cl6 Lu2 N23.54 O37 -","- C484.32 H522.48 Cl24 Lu8 N94.16 O148 -","4","0.5","","Badr El Aroussi; Soumaila Zebret; Céline Besnard; Philippe Perrottet; Josef Hamacek","Rational Design of a Ternary Supramolecular System: Self-Assembly of Pentanuclear Lanthanide Helicates","Journal of the American Chemical Society","2011","133","","10764","10767","10.1021/ja204474v","","","0.71073","MoKα","","0.0645","0.0438","","0.1186","0.1065","0.1186","","","","","","0.987","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106425","11.095","0.002","17.5","0.004","19.417","0.004","65.38","0.03","75.41","0.03","81.08","0.03","3311.4","1.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H39.5 N6.5 O4 -","- C36 H39.5 N6.5 O4 -","- C144 H158 N26 O16 -","4","2","","Badr El Aroussi; Soumaila Zebret; Céline Besnard; Philippe Perrottet; Josef Hamacek","Rational Design of a Ternary Supramolecular System: Self-Assembly of Pentanuclear Lanthanide Helicates","Journal of the American Chemical Society","2011","133","","10764","10767","10.1021/ja204474v","","","0.71073","MoKα","","0.0631","0.0485","","","0.1128","0.1205","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106426","15.1283","0.0004","15.9902","0.0004","16.2625","0.0004","90","","90","","90","","3933.97","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H45 Cl3 N8 O2 -","- C43 H45 Cl3 N8 O2 -","- C172 H180 Cl12 N32 O8 -","4","1","","Sunkyu Han; Mohammad Movassaghi","Concise Total Synthesis and Stereochemical Revision of all (-)-Trigonoliimines","Journal of the American Chemical Society","2011","133","","10768","10771","10.1021/ja204597k","","","1.54178","CuKα","","0.0306","0.0305","","","0.0823","0.0824","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106427","41.6761","0.0019","7.7113","0.0003","10.0688","0.0005","90","","90","","90","","3235.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C37.5 H28 Br Cl N4 O6 -","- C37.5 H28 Br Cl N4 O6 -","- C150 H112 Br4 Cl4 N16 O24 -","4","1","","Sunkyu Han; Mohammad Movassaghi","Concise Total Synthesis and Stereochemical Revision of all (-)-Trigonoliimines","Journal of the American Chemical Society","2011","133","","10768","10771","10.1021/ja204597k","","","0.71073","MoKα","","0.0564","0.0476","","","0.0877","0.0899","","","","","","1.181","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106428","7.3013","0.0002","7.5801","0.0002","32.8941","0.0008","90","","90","","90","","1820.51","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N4 O2 -","- C22 H22 N4 O2 -","- C88 H88 N16 O8 -","4","1","","Sunkyu Han; Mohammad Movassaghi","Concise Total Synthesis and Stereochemical Revision of all (-)-Trigonoliimines","Journal of the American Chemical Society","2011","133","","10768","10771","10.1021/ja204597k","","","1.54178","CuKα","","0.0309","0.0306","","","0.0798","0.0802","","","","","","1.056","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106429","15.448","0.003","15.944","0.003","17.894","0.004","76.713","0.002","73.192","0.002","64.903","0.002","3791.4","1.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","Yb@C80Ni(OEP)","Yb@C80Ni(OEP)","","- C126 H53 N4 Ni S2 Yb -","- C126.268 H53 N4 Ni S2 Yb -","- C252.536 H106 N8 Ni2 S4 Yb2 -","2","1","","Xing Lu; Yongfu Lian; Christine M. Beavers; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase; Takeshi Akasaka","Crystallographic X-ray Analyses of Yb@C2v(3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene","Journal of the American Chemical Society","2011","133","","10772","10775","10.1021/ja204653z","","","0.71073","MoKα","","0.0831","0.082","","","0.2079","0.2089","","","","","","1.108","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106430","15.463","0.003","15.951","0.004","17.905","0.004","76.668","0.002","73.253","0.002","64.778","0.002","3796","1.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","Yb@C80Ni(OEP)","Yb@C80Ni(OEP)","","- C126 H53 N4 Ni S2 Yb -","- C126.276 H53 N4 Ni S2 Yb -","- C252.552 H106 N8 Ni2 S4 Yb2 -","2","1","","Xing Lu; Yongfu Lian; Christine M. Beavers; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase; Takeshi Akasaka","Crystallographic X-ray Analyses of Yb@C2v(3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene","Journal of the American Chemical Society","2011","133","","10772","10775","10.1021/ja204653z","","","0.71073","MoKα","","0.0862","0.0841","","","0.2127","0.2145","","","","","","1.084","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106431","15.506","0.002","15.969","0.002","17.94","0.003","76.616","0.002","73.388","0.002","64.727","0.002","3818.6","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Yb@C80Ni(OEP)","Yb@C80Ni(OEP)","","- C126 H53 N4 Ni S2 Yb -","- C126.224 H53 N4 Ni S2 Yb -","- C252.448 H106 N8 Ni2 S4 Yb2 -","2","1","","Xing Lu; Yongfu Lian; Christine M. Beavers; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase; Takeshi Akasaka","Crystallographic X-ray Analyses of Yb@C2v(3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene","Journal of the American Chemical Society","2011","133","","10772","10775","10.1021/ja204653z","","","0.71073","MoKα","","0.1159","0.1116","","","0.2704","0.2735","","","","","","1.243","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106432","15.559","0.004","15.978","0.004","17.977","0.004","76.369","0.003","73.643","0.003","64.689","0.003","3842.2","1.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","Yb@C80Ni(OEP)","Yb@C80Ni(OEP)","","- C126 H53 N4 Ni S2 Yb -","- C126.254 H53 N4 Ni S2 Yb -","- C252.508 H106 N8 Ni2 S4 Yb2 -","2","1","","Xing Lu; Yongfu Lian; Christine M. Beavers; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase; Takeshi Akasaka","Crystallographic X-ray Analyses of Yb@C2v(3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene","Journal of the American Chemical Society","2011","133","","10772","10775","10.1021/ja204653z","","","0.71073","MoKα","","0.175","0.1654","","","0.5174","0.5392","","","","","","2.692","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106433","17.1563","0.001","16.585","0.0008","24.7229","0.0014","90","","90.326","0.003","90","","7034.5","0.7","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H80 Cl2 N6 Ni6 O12 S6 -","- C67 H80 Cl2 N6 Ni6 O12 S6 -","- C268 H320 Cl8 N24 Ni24 O48 S24 -","4","1","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.065","0.0352","","","0.1043","0.1474","","","","","","1.142","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106434","15.661","0.003","18.078","0.003","18.236","0.003","90","","115.008","0.012","90","","4678.9","1.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H47 Cl2 N3 Ni3 O6 S3 -","- C49 H47 Cl2 N3 Ni3 O6 S3 -","- C196 H188 Cl8 N12 Ni12 O24 S12 -","4","1","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.0375","0.0344","","","0.0855","0.0873","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106435","18.551","0.003","18.551","0.003","16.155","0.003","90","","90","","120","","4814.7","1.4","173","2","173","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C127 H80 Cl2 N6 Ni6 O12 S6 -","- C127 H79.98 Cl2.01 N6 Ni6 O12 S6 -","- C254 H159.96 Cl4.02 N12 Ni12 O24 S12 -","2","0.333333","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.0471","0.0444","","","0.1127","0.1145","","","","","","1.106","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106436","13.2134","0.0015","16.8326","0.0017","27.248","0.003","92.936","0.002","94.129","0.002","94.028","0.002","6020.1","1.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C162 H94.5 Cl2 N6 Ni6 O12.25 S6 -","- C162 H94 Cl2 N6 Ni6 O12.25 S6 -","- C324 H188 Cl4 N12 Ni12 O24.5 S12 -","2","1","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.1285","0.056","","","0.1463","0.2119","","","","","","1.064","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106437","20.479","0.003","20.479","0.003","21.481","0.004","90","","90","","120","","7802","2","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C121 H104 Cl2 N6 Ni6 O12 S6 -","- C121.02 H104.04 Cl2.04 N6 Ni6 O12 S6 -","- C363.06 H312.12 Cl6.12 N18 Ni18 O36 S18 -","3","0.166667","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.0579","0.0492","","","0.109","0.1129","","","","","","1.156","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106438","46.302","0.006","13.8507","0.001","27.326","0.003","90","","98.033","0.009","90","","17353","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C127 H63 Cl N3 Ni3 O7 S3 -","- C127 H63 Cl N3 Ni3 O7 S3 -","- C1016 H504 Cl8 N24 Ni24 O56 S24 -","8","1","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.0844","0.0648","","","0.1546","0.1671","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106439","17.151","0.003","17.537","0.003","26.583","0.008","90","","126.43","0.02","90","","6433","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H84 As10 Br2 N8 O60 V16 -","- C84 H84 As10 Br2 N8 O60 V16 -","- C168 H168 As20 Br4 N16 O120 V32 -","2","0.5","","Lei Zhang; Wolfgang Schmitt","From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages","Journal of the American Chemical Society","2011","133","","11240","11248","10.1021/ja2024004","","","0.71073","MoKα","","0.1271","0.0928","","","0.1911","0.2069","","","","","","1.033","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106440","14.081","0.003","17.115","0.003","29.922","0.006","88.9","0.03","85.19","0.03","65.84","0.03","6555","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H47 As10 Cl2 O62 V16 -","- C60 H47 As10 Cl2 O62 V16 -","- C120 H94 As20 Cl4 O124 V32 -","2","1","","Lei Zhang; Wolfgang Schmitt","From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages","Journal of the American Chemical Society","2011","133","","11240","11248","10.1021/ja2024004","","","0.71073","MoKα","","0.158","0.0937","","","0.2135","0.2375","","","","","","1.022","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106441","22.342","0.003","22.342","0.003","14.023","0.003","90","","90","","90","","7000","2","150","","150","","","","","","","","","6","I 4/m","-I 4","87","","","","- C48 H32 As8 Cl5 O62 V16 -","- C48 H32 As8 Cl5 O62 V16 -","- C96 H64 As16 Cl10 O124 V32 -","2","0.125","","Lei Zhang; Wolfgang Schmitt","From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages","Journal of the American Chemical Society","2011","133","","11240","11248","10.1021/ja2024004","","","0.71073","MoKα","","0.1052","0.0818","","","0.2178","0.2353","","","","","","0.985","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106442","17.3","0.003","16.251","0.003","23.716","0.01","90","","90","","90","","6668","3","150","","150","","","","","","","","","6","I m m m","-I 2 2","71","","","","- C48 H40 As8 Cl4 O73 V20 -","- C48 H40 As8 Cl4 O73 V20 -","- C96 H80 As16 Cl8 O146 V40 -","2","0.125","","Lei Zhang; Wolfgang Schmitt","From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages","Journal of the American Chemical Society","2011","133","","11240","11248","10.1021/ja2024004","","","0.71073","MoKα","","0.0773","0.0731","","","0.2495","0.257","","","","","","1.081","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106443","16.028","0.002","16.028","0.002","27.269","0.005","90","","90","","90","","7005.3","1.8","150","","150","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C48 H32 As8 Cl10 O73 V24 -","- C48 H32 As8 Cl10 O73 V24 -","- C96 H64 As16 Cl20 O146 V48 -","2","0.0625","","Lei Zhang; Wolfgang Schmitt","From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages","Journal of the American Chemical Society","2011","133","","11240","11248","10.1021/ja2024004","","","0.71073","MoKα","","0.1271","0.1145","","","0.2658","0.2742","","","","","","1.033","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106444","15.417","0.003","23.492","0.005","32.648","0.007","90","","90","","90","","11824","4","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H40 Fe N4 Ni2 O9 -","- C50 H40 Fe N4 Ni2 O9 -","- C400 H320 Fe8 N32 Ni16 O72 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.094","0.089","","","0.2303","0.2408","","","","","","1.033","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106445","15.571","0.003","23.296","0.005","32.328","0.007","90","","90","","90","","11727","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H54 N4 Ni2 O21 -","- C40 H30 N4 Ni2 O21 -","- C320 H240 N32 Ni16 O168 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.0627","0.0593","","","0.1521","0.1559","","","","","","1.088","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106446","15.526","0.003","22.639","0.005","32.994","0.007","90","","90","","90","","11597","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H30 N4 Ni2 O9 -","- C40 H30 N4 Ni2 O9 -","- C320 H240 N32 Ni16 O72 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.0651","0.0598","","","0.1594","0.1664","","","","","","1.089","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106447","15.322","0.003","24.083","0.005","31.621","0.006","90","","90","","90","","11668","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C60 H46 N4 Ni2 O9 -","- C60 H46 N4 Ni2 O9 -","- C480 H368 N32 Ni16 O72 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.0578","0.0547","","","0.1449","0.1488","","","","","","1.063","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106448","15.483","0.003","23.434","0.005","32.448","0.007","90","","90","","90","","11773","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C94 H102 N8 Ni4 O25 -","- C94 H102 N8 Ni4 O25 -","- C376 H408 N32 Ni16 O100 -","4","0.25","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.1029","0.0861","","","0.2051","0.2172","","","","","","1.176","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106449","15.477","0.003","23.392","0.005","32.321","0.007","90","","90","","90","","11701","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C64 H52 N4 Ni2 O9 -","- C64 H52 N4 Ni2 O9 -","- C512 H416 N32 Ni16 O72 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.0694","0.0687","","","0.1814","0.1821","","","","","","1.197","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106450","8.3007","0.0008","15.6603","0.0014","9.3885","0.0009","90","","114.592","0.001","90","","1109.73","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{H3N(CH2)4NH3}[Zn2(ox)3](H2O)6","","","- C10 H26 N2 O18 Zn2 -","- C10 H26 N2 O18 Zn2 -","- C20 H52 N4 O36 Zn4 -","2","0.5","","Masaaki Sadakiyo; Teppei Yamada; Hiroshi Kitagawa","Hydroxyl Group Recognition by Hydrogen-Bonding Donor and Acceptor Sites Embedded in a Layered Metal-Organic Framework","Journal of the American Chemical Society","2011","133","","11050","11053","10.1021/ja203291n","","","0.71073","MoKα","","0.0175","0.0169","","","0.046","0.0463","","","","","","1.054","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106451","6.722","0.004","8.897","0.005","9.501","0.006","62.779","0.005","88.615","0.006","71.692","0.005","474.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","{H3N(CH2)4NH3}[Zn2(ox)3](H2O)2","","","- C10 H18 N2 O14 Zn2 -","- C10 N2 O14 Zn2 -","- C10 N2 O14 Zn2 -","1","0.5","","Masaaki Sadakiyo; Teppei Yamada; Hiroshi Kitagawa","Hydroxyl Group Recognition by Hydrogen-Bonding Donor and Acceptor Sites Embedded in a Layered Metal-Organic Framework","Journal of the American Chemical Society","2011","133","","11050","11053","10.1021/ja203291n","","","0.71073","MoKα","","0.047","0.0414","","","0.1108","0.1156","","","","","","1.102","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106452","10.6829","0.0017","12.2765","0.0017","13.262","0.002","71.844","0.005","89.526","0.007","76.509","0.005","1603.2","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C71 H118 B2 Li2 O2 -","- C71 H118 B2 Li2 O2 -","- C71 H118 B2 Li2 O2 -","1","0.5","","Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Matthias J. Gutmann; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","Boron-Boron σ-Bond Formation by Two-Electron Reduction of a H-Bridged Dimer of Monoborane","Journal of the American Chemical Society","2011","133","","11058","11061","10.1021/ja203333j","","","0.71073","MoKα","","0.0674","0.0485","","","0.1298","0.1396","","","","","","1.085","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106453","13.328","0.002","15.242","0.003","19.666","0.003","100.058","0.0014","96.6371","0.0011","113.4","0.002","3533.7","1","100.1","","100.1","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H129 B2 Li O6 -","- C74 H129 B2 Li O6 -","- C148 H258 B4 Li2 O12 -","2","1","","Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Matthias J. Gutmann; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","Boron-Boron σ-Bond Formation by Two-Electron Reduction of a H-Bridged Dimer of Monoborane","Journal of the American Chemical Society","2011","133","","11058","11061","10.1021/ja203333j","","","0.71073","MoKα","","","0.051","","","","0.1326","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106454","21.668","0.004","10.302","0.002","22.374","0.005","90","","91.61","0.013","90","","4992.4","1.7","40","","40","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H90 B2 D2 -","- C56 H90 B2 D2 -","- C224 H360 B8 D8 -","4","0.5","","Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Matthias J. Gutmann; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","Boron-Boron σ-Bond Formation by Two-Electron Reduction of a H-Bridged Dimer of Monoborane","Journal of the American Chemical Society","2011","133","","11058","11061","10.1021/ja203333j","","neutron","","white-beam","","0.0739","0.0651","","","0.1289","0.132","","","","","","1.011","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106455","12.2709","0.0016","15.242","0.002","12.2159","0.0016","90","","109.757","0.002","90","","2150.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 I2 O4 S2 -","- C38 H60 I2 O4 S2 -","- C76 H120 I4 O8 S4 -","2","0.5","","Chuanwen Lin; Takanori Endo; Masayoshi Takase; Masahiko Iyoda; Tohru Nishinaga","Structural, Optical, and Electronic Properties of a Series of 3,4-Propylenedioxythiophene Oligomers in Neutral and Various Oxidation States","Journal of the American Chemical Society","2011","133","","11339","11350","10.1021/ja2035442","","","0.71073","MoKα","","0.0469","0.0353","","","0.0893","0.0978","","","","","","1.044","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106456","15.458","0.002","15.849","0.002","26.379","0.004","102.989","0.002","93.986","0.002","100.137","0.002","6158.8","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2","","","- C80 H96 Cu8 O32 S8 -","- C80 H88 Cu8 O32 S8 -","- C160 H176 Cu16 O64 S16 -","2","1","","Drew A. Fowler; Andrew V. Mossine; Christine M. Beavers; Simon J. Teat; Scott J. Dalgarno; Jerry L. Atwood","Coordination Polymer Chains of Dimeric Pyrogallol[4]arene Capsules","Journal of the American Chemical Society","2011","133","","11069","11071","10.1021/ja203651v","","","0.71073","MoKα","","0.0952","0.0652","","","0.188","0.2011","","","","","","1.197","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106457","15.268","0.004","15.399","0.004","26.583","0.006","103.563","0.003","96.004","0.003","97.402","0.003","5966","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","3","","","- C102 H96 Cu8 N6 O28 S4 -","- C102 H88 Cu8 N6 O28 S4 -","- C204 H176 Cu16 N12 O56 S8 -","2","1","","Drew A. Fowler; Andrew V. Mossine; Christine M. Beavers; Simon J. Teat; Scott J. Dalgarno; Jerry L. Atwood","Coordination Polymer Chains of Dimeric Pyrogallol[4]arene Capsules","Journal of the American Chemical Society","2011","133","","11069","11071","10.1021/ja203651v","","","0.7749","synchrotron","","0.1369","0.0928","","","0.2289","0.2422","","","","","","1.29","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106458","14.4861","0.0005","14.5856","0.0005","22.0546","0.0007","75.001","0.002","75.107","0.002","67.849","0.002","4102.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","4","","","- C80 H72 Cu8 N3 O27.5 -","- C80 H58 Cu8 N3 O27.5 -","- C160 H116 Cu16 N6 O55 -","2","1","","Drew A. Fowler; Andrew V. Mossine; Christine M. Beavers; Simon J. Teat; Scott J. Dalgarno; Jerry L. Atwood","Coordination Polymer Chains of Dimeric Pyrogallol[4]arene Capsules","Journal of the American Chemical Society","2011","133","","11069","11071","10.1021/ja203651v","","","0.7749","synchrotron","","0.0697","0.0451","","","0.1122","0.12","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106459","9.5116","0.0007","32.412","0.003","9.5796","0.0007","90","","118.619","0.001","90","","2592.5","0.4","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","2","","Kenichiro Nakai; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Cycloaddition of o-Arylcarboxybenzonitriles and Alkynes via Cleavage of Two Carbon-Carbon σ Bonds","Journal of the American Chemical Society","2011","133","","11066","11068","10.1021/ja203829j","","","0.71073","MoKα","","0.0866","0.0698","","","0.1901","0.2057","","","","","","1.037","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106460","6.4749","0.0009","11.6128","0.0017","7.7449","0.0011","90","","109.299","0.002","90","","549.63","0.14","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C26 H28 O4 -","2","1","","Kenichiro Nakai; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Cycloaddition of o-Arylcarboxybenzonitriles and Alkynes via Cleavage of Two Carbon-Carbon σ Bonds","Journal of the American Chemical Society","2011","133","","11066","11068","10.1021/ja203829j","","","0.71073","MoKα","","0.0412","0.0383","","","0.1053","0.1091","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106461","9.3444","0.0012","9.3565","0.0012","9.4457","0.0012","90.583","0.002","105.545","0.002","113.659","0.002","722.25","0.16","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Kenichiro Nakai; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Cycloaddition of o-Arylcarboxybenzonitriles and Alkynes via Cleavage of Two Carbon-Carbon σ Bonds","Journal of the American Chemical Society","2011","133","","11066","11068","10.1021/ja203829j","","","0.71073","MoKα","","0.0553","0.0475","","","0.1398","0.1475","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106462","8.7173","0.0004","8.5002","0.0003","9.0429","0.0003","90","","96.081","0.002","90","","666.3","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H14 B2 N2 -","- C2 H14 B2 N2 -","- C8 H56 B8 N8 -","4","1","","Heather C. Johnson; Alasdair P. M. Robertson; Adrian B. Chaplin; Laura J. Sewell; Amber L. Thompson; Mairi F. Haddow; Ian Manners; Andrew S. Weller","Catching the First Oligomerization Event in the Catalytic Formation of Polyaminoboranes: H3B.NMeHBH2.NMeH2 Bound to Iridium","Journal of the American Chemical Society","2011","133","","11076","11079","10.1021/ja2040738","","","0.71073","MoKα","","0.0762","0.071","","","0.2593","0.2667","","","","","","1.166","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106463","12.6824","0.0001","17.147","0.0002","17.4894","0.0002","82.6288","0.0005","84.1492","0.0005","86.771","0.0005","3748.65","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H88 B2 F24 Ir N P2 -","- C69 H88 B2 F24 Ir N P2 -","- C138 H176 B4 F48 Ir2 N2 P4 -","2","1","","Heather C. Johnson; Alasdair P. M. Robertson; Adrian B. Chaplin; Laura J. Sewell; Amber L. Thompson; Mairi F. Haddow; Ian Manners; Andrew S. Weller","Catching the First Oligomerization Event in the Catalytic Formation of Polyaminoboranes: H3B.NMeHBH2.NMeH2 Bound to Iridium","Journal of the American Chemical Society","2011","133","","11076","11079","10.1021/ja2040738","","","0.71073","MoKα","","0.0524","0.0368","","","0.0781","0.0843","","","","","","1.041","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106464","13.418","0.003","14.765","0.003","23.308","0.006","72.626","0.013","74.181","0.01","69.118","0.012","4045.4","1.7","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H104 B3 Cl8 Ir N2 P2 -","- C67 H104 B3 Cl8 Ir N2 P2 -","- C134 H208 B6 Cl16 Ir2 N4 P4 -","2","1","","Heather C. Johnson; Alasdair P. M. Robertson; Adrian B. Chaplin; Laura J. Sewell; Amber L. Thompson; Mairi F. Haddow; Ian Manners; Andrew S. Weller","Catching the First Oligomerization Event in the Catalytic Formation of Polyaminoboranes: H3B.NMeHBH2.NMeH2 Bound to Iridium","Journal of the American Chemical Society","2011","133","","11076","11079","10.1021/ja2040738","","","0.6889","MoKα","","0.0582","0.0487","","0.1069","0.0984","0.1069","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106465","13.4081","0.0005","13.6329","0.0006","19.9252","0.0008","79.247","0.001","81.738","0.001","84.019","0.001","3529.8","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H83 N2 P3 Pb Pd -","- C82 H67 N2 P3 Pb Pd -","- C164 H134 N4 P6 Pb2 Pd2 -","2","1","","Dennis Heitmann; Tania Pape; Alexander Hepp; Christian Mück-Lichtenfeld; Stefan Grimme; F. Ekkehardt Hahn","Palladium and Platinum Complexes of a Benzannulated N-Heterocyclic Plumbylene with an Unusual Bonding Mode","Journal of the American Chemical Society","2011","133","","11118","11120","10.1021/ja204955f","","","0.71073","MoKα","","0.0501","0.0392","","","0.1059","0.1154","","","","","","0.919","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106466","13.4074","0.0006","13.6036","0.0006","19.8815","0.0008","79.186","0.001","81.777","0.001","83.868","0.001","3513.2","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H83 N2 P3 Pb Pt -","- C82 H67 N2 P3 Pb Pt -","- C164 H134 N4 P6 Pb2 Pt2 -","2","1","","Dennis Heitmann; Tania Pape; Alexander Hepp; Christian Mück-Lichtenfeld; Stefan Grimme; F. Ekkehardt Hahn","Palladium and Platinum Complexes of a Benzannulated N-Heterocyclic Plumbylene with an Unusual Bonding Mode","Journal of the American Chemical Society","2011","133","","11118","11120","10.1021/ja204955f","","","0.71073","MoKα","","0.0483","0.036","","","0.0894","0.0975","","","","","","1.034","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106467","30.5678","0.0001","30.5678","0.0001","30.5678","0.0001","90","","90","","90","","28562.3","0.16","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C67.5 H65.5 Ag3 Mo2 N17.5 O14.5 -","- C67.5 H48 Ag3 Mo2 N17.5 O10 -","- C1080 H768 Ag48 Mo32 N280 O160 -","16","0.333333","","Hua Wu; Jin Yang; Zhong-Min Su; Stuart R. Batten; Jian-Fang Ma","An Exceptional 54-Fold Interpenetrated Coordination Polymer with 103-srs Network Topology","Journal of the American Chemical Society","2011","133","","11406","11409","10.1021/ja202303b","","","1.54184","CuKα","","0.0731","0.0695","","","0.183","0.1873","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106468","33.515","0.005","18.955","0.003","30.323","0.005","90","","92.511","0.002","90","","19245","5","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C236 H192.5 N12 O37 Pd2 -","- C236 H192.5 N12 O37 Pd2 -","- C944 H770 N48 O148 Pd8 -","4","1","","Norifumi Kishi; Zhiou Li; Kenji Yoza; Munetaka Akita; Michito Yoshizawa","An M2L4 Molecular Capsule with an Anthracene Shell: Encapsulation of Large Guests up to 1 nm","Journal of the American Chemical Society","2011","133","","11438","11441","10.1021/ja2037029","","","0.71073","MoKα","","0.1732","0.1042","","","0.2645","0.3002","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106469","20.323","0.002","23.546","0.002","24.072","0.002","88.798","0.002","69.662","0.001","81.041","0.001","10662.3","1.6","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C213.5 H160 N12 O47 Pd2 -","- C213.5 H160 N12 O47 Pd2 -","- C427 H320 N24 O94 Pd4 -","2","1","","Norifumi Kishi; Zhiou Li; Kenji Yoza; Munetaka Akita; Michito Yoshizawa","An M2L4 Molecular Capsule with an Anthracene Shell: Encapsulation of Large Guests up to 1 nm","Journal of the American Chemical Society","2011","133","","11438","11441","10.1021/ja2037029","","","0.71073","MoKα","","0.1412","0.0943","","","0.2877","0.3252","","","","","","1.166","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106470","19.516","0.004","12.763","0.002","28.775","0.005","90","","90","","90","","7167","2","123.1","","123.1","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H29 F18 N6 O2 P3 Ru -","- C28 H27 F18 N6 O2 P3 Ru -","- C224 H216 F144 N48 O16 P24 Ru8 -","8","1","","Takahiko Kojima; Kazuya Nakayama; Kenichiro Ikemura; Takashi Ogura; Shunichi Fukuzumi","Formation of a Ruthenium(IV)-Oxo Complex by Electron-Transfer Oxidation of a Coordinatively Saturated Ruthenium(II) Complex and Detection of Oxygen-Rebound Intermediates in C-H Bond Oxygenation","Journal of the American Chemical Society","2011","133","","11692","11700","10.1021/ja2037645","","","0.7107","MoKα","","","0.0871","","","","0.2005","","","","","","1.237","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106471","6.8663","0.0017","13.572","0.003","11.058","0.003","90","","103.851","0.004","90","","1000.5","0.4","123.1","","123.1","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 N4 -","- C12 H8 N4 -","- C48 H32 N16 -","4","1","","Kosuke Namba; Ayumi Osawa; Shoji Ishizaka; Noboru Kitamura; Keiji Tanino","Direct Synthesis of Fluorescent 1,3a,6a-Triazapentalene Derivatives via Click-Cyclization-Aromatization Cascade Reaction","Journal of the American Chemical Society","2011","133","","11466","11469","10.1021/ja203917r","","","0.7107","MoKα","","","0.0461","","","","0.1106","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106472","22.313","0.0014","13.3374","0.0008","19.3698","0.0012","90","","90.352","0.002","90","","5764.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H172 Li2 O8 Si12 U2 -","- C80 H148 Li2 O8 Si12 U2 -","- C160 H296 Li4 O16 Si24 U4 -","2","0.5","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6","Journal of the American Chemical Society","2011","133","","11732","11743","10.1021/ja204151v","","","0.71073","MoKα","","0.1234","0.0456","","","0.1196","0.1474","","","","","","0.924","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106473","13.0591","0.0016","13.0591","0.0016","16.136","0.004","90","","90","","120","","2383.2","0.7","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C32 H40 Li O8 Si3 U -","- C32 H24 Li O8 Si3 U -","- C64 H48 Li2 O16 Si6 U2 -","2","0.166667","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6","Journal of the American Chemical Society","2011","133","","11732","11743","10.1021/ja204151v","","","0.71073","MoKα","","0.0419","0.0355","","","0.1002","0.1038","","","","","","1.308","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106474","14.946","0.002","16.125","0.003","15.267","0.002","90","","91.738","0.002","90","","3677.7","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H61 Ag O4 Si3 U -","- C24 H52 Ag O4 Si3 U -","- C96 H208 Ag4 O16 Si12 U4 -","4","1","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6","Journal of the American Chemical Society","2011","133","","11732","11743","10.1021/ja204151v","","","0.71073","MoKα","","0.058","0.0411","","","0.1026","0.1095","","","","","","0.989","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106475","12.3874","0.0004","12.3874","0.0004","19.4321","0.0014","90","","90","","90","","2981.8","0.3","150","2","150","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","","","","- C40 H74 Li O9 Si4 U -","- C40 Li O9 Si4 U -","- C80 Li2 O18 Si8 U2 -","2","0.125","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6","Journal of the American Chemical Society","2011","133","","11732","11743","10.1021/ja204151v","","","0.71073","MoKα","","0.0674","0.0392","","","0.0973","0.1099","","","","","","1.177","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106476","11.0534","0.0016","15.79","0.002","19.038","0.003","90","","92.248","0.002","90","","3320.2","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Cl4 Li O8 U -","- C20 H48 Cl4 Li O8 U -","- C80 H192 Cl16 Li4 O32 U4 -","4","1","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6","Journal of the American Chemical Society","2011","133","","11732","11743","10.1021/ja204151v","","","0.71073","MoKα","","0.0503","0.035","","","0.0856","0.0922","","","","","","1.001","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106477","13.885","0.004","4.4332","0.0009","10.874","0.002","90","","103.141","0.012","90","","651.8","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- B5 Be6 Cs Na2 O15 -","- B5 Be6 Cs Na2 O15 -","- B10 Be12 Cs2 Na4 O30 -","2","0.5","","Shichao Wang; Ning Ye","Na2CsBe6B5O15: An Alkaline Beryllium Borate as a Deep-UV Nonlinear Optical Crystal","Journal of the American Chemical Society","2011","133","","11458","11461","10.1021/ja204179g","","","0.71073","MoKα","","0.0192","0.0186","","","0.0456","0.0459","","","","","","1.027","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106478","8.902","0.002","11.717","0.003","23.448","0.006","90","","90","","90","","2445.7","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33.5 N O8 P2 -","- C19 H33 N O8 P2 -","- C76 H132 N4 O32 P8 -","4","1","","Zhi-Yong Xue; Qing-Hua Li; Hai-Yan Tao; Chun-Jiang Wang","A Facile Cu(I)/TF-Bipham Phos-Catalyzed Asymmetric Approach to Unnatural α-Amino Acid Derivatives Containinggem-Bisphosphonates","Journal of the American Chemical Society","2011","133","","11757","11765","10.1021/ja2043563","","","0.71073","MoKα","","0.0953","0.0695","","","0.1746","0.186","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106479","12.3348","0.0009","13.9342","0.0011","22.0311","0.0017","90","","101.403","0.001","90","","3711.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Cl4 F2 N2 O2 -","- C36 H48 Cl4 F2 N2 O2 -","- C144 H192 Cl16 F8 N8 O8 -","4","1","","Pingping Tang; Weike Wang; Tobias Ritter","Deoxyfluorination of Phenols","Journal of the American Chemical Society","2011","133","","11482","11484","10.1021/ja2048072","","","0.71073","MoKα","","0.0718","0.0579","","","0.1442","0.1547","","","","","","1.024","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106480","16.8925","0.0006","17.2396","0.0006","7.5829","0.0003","90","","90","","90","","2208.29","0.14","153","2","153","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C24 H24 Cl Ir N2 O2 -","- C24 H24 Cl Ir N2 O2 -","- C96 H96 Cl4 Ir4 N8 O8 -","4","0.5","","Fabian M. Conrady; Roland Fröhlich; Christian Schulte to Brinke; Tania Pape; F. Ekkehardt Hahn","Stepwise Formation of a Molecular Square with Bridging NH,O-Substituted Dicarbene Building Blocks","Journal of the American Chemical Society","2011","133","","11496","11499","10.1021/ja205021p","","","0.71073","MoKα","","0.0215","0.0204","","","0.0489","0.0493","","","","","","1.06","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106481","13.0461","0.0012","14.4131","0.0013","14.9493","0.0014","108.111","0.001","98.045","0.001","94.205","0.001","2625","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H74 Cl4 Ir2 N2 O2 Si2 -","- C46 H74 Cl4 Ir2 N2 O2 Si2 -","- C92 H148 Cl8 Ir4 N4 O4 Si4 -","2","1","","Fabian M. Conrady; Roland Fröhlich; Christian Schulte to Brinke; Tania Pape; F. Ekkehardt Hahn","Stepwise Formation of a Molecular Square with Bridging NH,O-Substituted Dicarbene Building Blocks","Journal of the American Chemical Society","2011","133","","11496","11499","10.1021/ja205021p","","","0.71073","MoKα","","0.0655","0.0339","","","0.0702","0.0808","","","","","","0.969","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106482","16.976","0.0004","16.976","0.0004","43.55","0.002","90","","90","","90","","12550.4","0.7","153","2","153","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C72 H76 Cl8 Ir4 N8 O8 -","- C72 H76 Cl8 Ir4 N8 O8 -","- C288 H304 Cl32 Ir16 N32 O32 -","4","0.25","","Fabian M. Conrady; Roland Fröhlich; Christian Schulte to Brinke; Tania Pape; F. Ekkehardt Hahn","Stepwise Formation of a Molecular Square with Bridging NH,O-Substituted Dicarbene Building Blocks","Journal of the American Chemical Society","2011","133","","11496","11499","10.1021/ja205021p","","","0.71073","MoKα","","0.1067","0.0762","","","0.1743","0.1913","","","","","","1.15","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106483","16.4706","0.0001","17.2338","0.0001","17.5333","0.0001","90","","90","","90","","4976.85","0.05","150","","150","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C39 H54 B2 Cl9 Ir N P3 -","- C39 H54 B2 Cl9 Ir N P3 -","- C156 H216 B8 Cl36 Ir4 N4 P12 -","4","0.5","","Michael O'Neill; David A. Addy; Ian Riddlestone; Michael Kelly; Nicholas Phillips; Simon Aldridge","Borane to Boryl Hydride to Borylene Dihydride: Explicit Demonstration of Boron-to-Metal α-Hydride Migration in Aminoborane Activation","Journal of the American Chemical Society","2011","133","","11500","11503","10.1021/ja2050748","","","0.71073","MoKα","","0.0313","0.0247","","0.0676","0.061","0.0676","","","","","","0.9275","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106484","16.371","0.0004","14.3825","0.0002","15.8506","0.0004","90","","109.749","0.003","90","","3512.6","0.15","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H51 B Cl Ir N P3 -","- C21 H51 B Cl Ir N P3 -","- C84 H204 B4 Cl4 Ir4 N4 P12 -","4","1","","Michael O'Neill; David A. Addy; Ian Riddlestone; Michael Kelly; Nicholas Phillips; Simon Aldridge","Borane to Boryl Hydride to Borylene Dihydride: Explicit Demonstration of Boron-to-Metal α-Hydride Migration in Aminoborane Activation","Journal of the American Chemical Society","2011","133","","11500","11503","10.1021/ja2050748","","","0.71073","MoKα","","0.0504","0.0311","","0.0909","0.0751","0.0908","","","","","","0.8669","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106485","12.1078","0.0001","15.4482","0.0002","15.9503","0.0002","107.918","0.0005","93.8315","0.0005","100.164","0.0005","2770.69","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H63 B2 Cl8 Ir N P3 -","- C45 H63 B2 Cl8 Ir N P3 -","- C90 H126 B4 Cl16 Ir2 N2 P6 -","2","1","","Michael O'Neill; David A. Addy; Ian Riddlestone; Michael Kelly; Nicholas Phillips; Simon Aldridge","Borane to Boryl Hydride to Borylene Dihydride: Explicit Demonstration of Boron-to-Metal α-Hydride Migration in Aminoborane Activation","Journal of the American Chemical Society","2011","133","","11500","11503","10.1021/ja2050748","","","0.71073","MoKα","","0.0495","0.0349","","0.0715","0.0615","0.0715","","","","","","0.9632","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106486","13.13813","0.00009","21.35767","0.00018","25.9754","0.0002","90","","90","","90","","7288.69","0.1","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H61 B2 F24 Ir N P3 -","- C53 H61 B2 F24 Ir N P3 -","- C212 H244 B8 F96 Ir4 N4 P12 -","4","1","","Michael O'Neill; David A. Addy; Ian Riddlestone; Michael Kelly; Nicholas Phillips; Simon Aldridge","Borane to Boryl Hydride to Borylene Dihydride: Explicit Demonstration of Boron-to-Metal α-Hydride Migration in Aminoborane Activation","Journal of the American Chemical Society","2011","133","","11500","11503","10.1021/ja2050748","","","1.54184","CuKα","","0.0715","0.0692","","0.1997","0.1954","0.1997","","","","","","0.9868","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106487","9.3927","0.0005","17.0136","0.0009","17.322","0.0009","111.963","0.001","95.437","0.001","99.02","0.001","2499.7","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H31 N O2 S Si3 -","- C19 H31 N O2 S Si3 -","- C76 H124 N4 O8 S4 Si12 -","4","2","","Tatsumi Ochiai; Masaaki Nakamoto; Yusuke Inagaki; Akira Sekiguchi","Sulfur-Substituted Tetrahedranes","Journal of the American Chemical Society","2011","133","","11504","11507","10.1021/ja205361a","","","0.71073","MoKα","","0.0418","0.0322","","","0.0805","0.0866","","","","","","1.021","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106488","20.2544","0.0019","13.9007","0.0013","20.932","0.002","90","","117.69","0.001","90","","5218.5","0.9","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,4-dinitrophenyl)thiotetrahedrane","","- C19 H30 N2 O4 S Si3 -","- C19 H30 N2 O4 S Si3 -","- C152 H240 N16 O32 S8 Si24 -","8","2","","Tatsumi Ochiai; Masaaki Nakamoto; Yusuke Inagaki; Akira Sekiguchi","Sulfur-Substituted Tetrahedranes","Journal of the American Chemical Society","2011","133","","11504","11507","10.1021/ja205361a","","","0.71073","MoKα","","0.0642","0.056","","","0.1573","0.1613","","","","","","1.112","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106489","17.366","0.003","9.143","0.0016","17.699","0.003","90","","119.157","0.002","90","","2454.1","0.7","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 O2 S Si3 -","- C19 H32 O2 S Si3 -","- C76 H128 O8 S4 Si12 -","4","1","","Tatsumi Ochiai; Masaaki Nakamoto; Yusuke Inagaki; Akira Sekiguchi","Sulfur-Substituted Tetrahedranes","Journal of the American Chemical Society","2011","133","","11504","11507","10.1021/ja205361a","","","0.71073","MoKα","","0.0431","0.0321","","","0.08","0.0865","","","","","","1.008","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106490","6.6731","0.0019","11.562","0.003","11.907","0.003","77.83","0.004","76.546","0.004","80.917","0.004","867.6","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 B Cl N4 O6 -","- C15 H14 B Cl N4 O6 -","- C30 H28 B2 Cl2 N8 O12 -","2","1","","Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu","Boron in Disguise: The Parent ""Fused"" BN Indole","Journal of the American Chemical Society","2011","133","","11508","11511","10.1021/ja205779b","","","0.71073","MoKα","","0.0736","0.0594","","","0.1618","0.1737","","","","","","1.071","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106491","7.091","0.004","11.046","0.006","13.008","0.007","104.199","0.009","99.358","0.009","107.318","0.008","911.9","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 B F4 N2 Si -","- C17 H21 B F4 N2 Si -","- C34 H42 B2 F8 N4 Si2 -","2","1","","Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu","Boron in Disguise: The Parent ""Fused"" BN Indole","Journal of the American Chemical Society","2011","133","","11508","11511","10.1021/ja205779b","","","0.71073","MoKα","","0.1497","0.0807","","","0.1779","0.216","","","","","","0.986","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106492","26.8541","0.0003","26.8541","0.0003","26.8541","0.0003","90","","90","","90","","19365.6","0.4","298","2","","","","","","","","","","5","F m -3 c","-F 4a 2 3","226","Barium oxonitridophosphate chloride","Barium oxonitridophosphate chloride","","- Ba19 Cl12.54 N61.46 O10.54 P36 -","- Ba19 Cl12.536 N61.488 O10.512 P36 -","- Ba152 Cl100.288 N491.904 O84.096 P288 -","8","0.0416667","","Stefan J. Sedlmaier; Markus Döblinger; Oliver Oeckler; Johannes Weber; Jörn Schmedt auf der Günne; Wolfgang Schnick","Unprecedented Zeolite-Like Framework Topology Constructed from Cages with 3-Rings in a Barium Oxonitridophosphate","Journal of the American Chemical Society","2011","133","","12069","12078","10.1021/ja202159e","powder diffraction","x-ray","0.39998","synchrotron","","","","","","","","0.077","","5.172","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106493","37.5399","0.0017","12.9489","0.0006","22.7366","0.001","90","","127.247","0.001","90","","8798","0.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H41 Cu F6 N2 O2 P2 -","- C51 H41 Cu F6 N2 O2 P2 -","- C408 H328 Cu8 F48 N16 O16 P16 -","8","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0716","0.0584","","","0.163","0.1742","","","","","","1.107","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106494","13.9226","0.0009","20.2681","0.0012","18.113","0.001","90","","90.146","0.001","90","","5111.2","0.5","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55 H41 Cl4 Cu F6 N2 O P2 -","- C55 H41 Cl4 Cu F6 N2 O P2 -","- C220 H164 Cl16 Cu4 F24 N8 O4 P8 -","4","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0544","0.0443","","","0.1033","0.1092","","","","","","1.029","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106495","15.8784","0.0007","21.1674","0.0009","23.6769","0.001","90","","90","","90","","7957.9","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H33 Ag F6 N2 O P2 -","- C47 H33 Ag F6 N2 O P2 -","- C376 H264 Ag8 F48 N16 O8 P16 -","8","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0863","0.069","","","0.1318","0.1385","","","","","","1.216","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106496","8.7933","0.0004","10.1944","0.0004","16.6221","0.0007","73.123","0.001","75.27","0.001","64.73","0.001","1274.71","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H20 Au F6 N2 P -","- C29 H20 Au F6 N2 P -","- C58 H40 Au2 F12 N4 P2 -","2","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0327","0.0292","","","0.0617","0.0634","","","","","","1.03","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106497","10.3486","0.0005","11.5288","0.0005","13.3285","0.0006","83.087","0.001","85.517","0.001","76.607","0.001","1533.61","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 Au F6 N2 P -","- C35 H24 Au F6 N2 P -","- C70 H48 Au2 F12 N4 P2 -","2","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.024","0.022","","","0.0486","0.0494","","","","","","1.025","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106498","13.9852","0.0004","10.6777","0.0004","38.8186","0.0014","90","","97.035","0.001","90","","5753.1","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H22 Au F6 N2 P -","- C33 H22 Au F6 N2 P -","- C264 H176 Au8 F48 N16 P8 -","8","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0283","0.0253","","","0.0507","0.0517","","","","","","1.12","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106499","11.607","0.002","11.6091","0.0012","6.7825","0.0014","90","","119.57","0.03","90","","794.9","0.3","193","2","100","2","","","","","","","","2","C 1 c 1","C -2yc","9","hydrazoic acid","hydrogen azide","","- H N3 -","- H N3 -","- H16 N48 -","16","4","","Jürgen Evers; Michael Göbel; Burkhard Krumm; Franz Martin; Sergey Medvedyev; Gilbert Oehlinger; Franz Xaver Steemann; Ivan Troyan; Thomas M. Klapötke; Mikhail I. Eremets","Molecular Structure of Hydrazoic Acid with Hydrogen-Bonded Tetramers in Nearly Planar Layers","Journal of the American Chemical Society","2011","133","","12100","12105","10.1021/ja2027053","","","0.71069","MoKα","","0.0244","0.0208","","","0.0494","0.0504","","","","","","1.033","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106500","12.9378","0.0008","8.0214","0.0006","20.4472","0.0011","90","","96.7134","0.0018","90","","2107.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","YS-11-04","trans-3,4-dibenzoyl-tosylpyrrolidine","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","1","","Yosuke Ashikari; Toshiki Nokami; Jun-ichi Yoshida","Integrated Electrochemical-Chemical Oxidation Mediated by Alkoxysulfonium Ions","Journal of the American Chemical Society","2011","133","","11840","11843","10.1021/ja202880n","","","0.71075","MoKα","","0.0428","0.0366","","","0.0951","0.0988","","","","","","1.013","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106501","9.418","","18.758","","11.532","","90","","98.94","","90","","2012.53","","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","YS-12-30","","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","1","","Yosuke Ashikari; Toshiki Nokami; Jun-ichi Yoshida","Integrated Electrochemical-Chemical Oxidation Mediated by Alkoxysulfonium Ions","Journal of the American Chemical Society","2011","133","","11840","11843","10.1021/ja202880n","","","0.71075","MoKα","","0.0837","0.0455","","","0.1151","0.1366","","","","","","1.22","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106502","18.9944","0.0006","11.5379","0.0004","23.2756","0.0007","90","","93.444","0.002","90","","5091.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49.4 H63 Al N4 Na O5 -","- C49.4 H63 Al N4 Na O5 -","- C197.6 H252 Al4 N16 Na4 O20 -","4","1","","Thomas W. Myers; Louise A. Berben","Countercations Direct One- or Two-Electron Oxidation of an Al(III) Complex and Al(III)-Oxo Intermediates Activate C-H Bonds","Journal of the American Chemical Society","2011","133","","11865","11867","10.1021/ja203842s","","","1.54178","CuKα","","0.102","0.0839","","","0.2374","0.2552","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106503","13.444","0.001","12.1181","0.0009","33.736","0.003","90","","94.184","0.002","90","","5481.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H88 Al N5 -","- C59 H88 Al N5 -","- C236 H352 Al4 N20 -","4","1","","Thomas W. Myers; Louise A. Berben","Countercations Direct One- or Two-Electron Oxidation of an Al(III) Complex and Al(III)-Oxo Intermediates Activate C-H Bonds","Journal of the American Chemical Society","2011","133","","11865","11867","10.1021/ja203842s","","","0.71073","MoKα","","0.2024","0.0753","","","0.1741","0.242","","","","","","1.089","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106504","21.4551","0.0009","9.6906","0.0004","16.8461","0.0007","90","","113.183","0.001","90","","3219.7","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H92 Al2 N8 O2 -","- C72 H90 Al2 N8 O2 -","- C144 H180 Al4 N16 O4 -","2","0.25","","Thomas W. Myers; Louise A. Berben","Countercations Direct One- or Two-Electron Oxidation of an Al(III) Complex and Al(III)-Oxo Intermediates Activate C-H Bonds","Journal of the American Chemical Society","2011","133","","11865","11867","10.1021/ja203842s","","","0.71073","MoKα","","0.0926","0.0549","","","0.1534","0.1662","","","","","","0.955","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106505","16.26","0.003","14.869","0.003","13.469","0.003","90","","90","","90","","3256.4","1.1","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H34 Cl2 Fe N6 O8 -","- C30 H34 Cl2 Fe N6 O8 -","- C120 H136 Cl8 Fe4 N24 O32 -","4","1","","Seungwoo Hong; Yong-Min Lee; Kyung-Bin Cho; Karuppasamy Sundaravel; Jaeheung Cho; Myoung Jin Kim; Woonsup Shin; Wonwoo Nam","Ligand Topology Effect on the Reactivity of a Mononuclear Nonheme Iron(IV)-Oxo Complex in Oxygenation Reactions","Journal of the American Chemical Society","2011","133","","11876","11879","10.1021/ja204008u","","","0.71073","MoKα","","0.0799","0.0414","","","0.0775","0.0839","","","","","","0.814","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106506","10.064","0.0005","23.0863","0.0012","30.1822","0.0016","90","","90","","90","","7012.5","0.6","170","2","170","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","cis-beta iron(II)(BQCN)(CH~3~CN)~2~ triflate","cis-beta-Fe(II)(C~26~H~28~N~4~)(CH~3~CN)~2~(CF~3~SO~3~)~2~","","- C32 H34 F6 Fe N6 O6 S2 -","- C32 H34 F6 Fe N6 O6 S2 -","- C256 H272 F48 Fe8 N48 O48 S16 -","8","1","","Seungwoo Hong; Yong-Min Lee; Kyung-Bin Cho; Karuppasamy Sundaravel; Jaeheung Cho; Myoung Jin Kim; Woonsup Shin; Wonwoo Nam","Ligand Topology Effect on the Reactivity of a Mononuclear Nonheme Iron(IV)-Oxo Complex in Oxygenation Reactions","Journal of the American Chemical Society","2011","133","","11876","11879","10.1021/ja204008u","","","0.71073","MoKα","","0.112","0.046","","","0.0888","0.0959","","","","","","0.743","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106507","11.0504","0.0012","12.5528","0.0014","24.338","0.003","90","","93.989","0.002","90","","3367.8","0.7","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cis-beta iron(II)(BQCN) triflate monoacetonitrile","cis-beta-Fe(II)(C~26~H~28~N~4~)(CF~3~SO~3~)~2~(CH~3~CN)","","- C30 H31 F6 Fe N5 O6 S2 -","- C30 H31 F6 Fe N5 O6 S2 -","- C120 H124 F24 Fe4 N20 O24 S8 -","4","1","","Seungwoo Hong; Yong-Min Lee; Kyung-Bin Cho; Karuppasamy Sundaravel; Jaeheung Cho; Myoung Jin Kim; Woonsup Shin; Wonwoo Nam","Ligand Topology Effect on the Reactivity of a Mononuclear Nonheme Iron(IV)-Oxo Complex in Oxygenation Reactions","Journal of the American Chemical Society","2011","133","","11876","11879","10.1021/ja204008u","","","0.71073","MoKα","","0.068","0.0425","","","0.0888","0.0934","","","","","","0.869","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106508","27.1144","0.0003","15.1513","0.0002","8.5484","0.0001","90","","90","","90","","3511.84","0.07","160","1","160","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H33 B11 Cl6 F2 Si -","- C26 H33 B11 Cl6 F2 Si -","- C104 H132 B44 Cl24 F8 Si4 -","4","1","","Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Competition between π-Arene and Lone-Pair Halogen Coordination of Silylium Ions?","Journal of the American Chemical Society","2011","133","","11844","11846","10.1021/ja2040392","","","0.71073","MoKα","","0.0501","0.0373","","","0.0845","0.0912","","","","","","1.029","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106509","11.54215","0.00011","14.69775","0.00017","19.3449","0.0002","90","","94.908","0.001","90","","3269.71","0.06","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26.86 B11 Cl6.14 F2 Si -","- C23 H26.8639 B11 Cl6.1361 F2 Si -","- C92 H107.456 B44 Cl24.5444 F8 Si4 -","4","1","","Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Competition between π-Arene and Lone-Pair Halogen Coordination of Silylium Ions?","Journal of the American Chemical Society","2011","133","","11844","11846","10.1021/ja2040392","","","0.71073","MoKα","","0.0376","0.0279","","","0.0794","0.0822","","","","","","1.06","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106510","9.47605","0.00007","18.88054","0.00014","20.51762","0.00018","90","","90","","90","","3670.87","0.05","293","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 B11 Cl8 Si -","- C25 H31 B11 Cl8 Si -","- C100 H124 B44 Cl32 Si4 -","4","1","","Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Competition between π-Arene and Lone-Pair Halogen Coordination of Silylium Ions?","Journal of the American Chemical Society","2011","133","","11844","11846","10.1021/ja2040392","","","0.71073","MoKα","","0.0339","0.028","","","0.0687","0.0702","","","","","","1.026","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106511","9.0439","0.0011","10.4536","0.0013","12.3764","0.0016","68.485","0.002","84.128","0.002","77.745","0.002","1063.4","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","10016a","","","- C15 H35 Cl2 Fe N7 -","- C15 H35 Cl2 Fe N7 -","- C30 H70 Cl4 Fe2 N14 -","2","1","","Jason England; Yisong Guo; Katherine M. Van Heuvelen; Matthew A. Cranswick; Gregory T. Rohde; Emile L. Bominaar; Eckard Münck; Lawrence Que","A More Reactive Trigonal-Bipyramidal High-Spin Oxoiron(IV) Complex with a cis-Labile Site","Journal of the American Chemical Society","2011","133","","11880","11883","10.1021/ja2040909","","","0.71073","MoKα","","0.0318","0.0259","","","0.0651","0.0683","","","","","","1.041","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106512","18.512","0.003","9.1559","0.0014","17.378","0.003","90","","106.291","0.002","90","","2827.2","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","09197a","","","- C17 H35 F6 Fe N7 O6 S2 -","- C17 H35 F6 Fe N7 O6 S2 -","- C68 H140 F24 Fe4 N28 O24 S8 -","4","1","","Jason England; Yisong Guo; Katherine M. Van Heuvelen; Matthew A. Cranswick; Gregory T. Rohde; Emile L. Bominaar; Eckard Münck; Lawrence Que","A More Reactive Trigonal-Bipyramidal High-Spin Oxoiron(IV) Complex with a cis-Labile Site","Journal of the American Chemical Society","2011","133","","11880","11883","10.1021/ja2040909","","","0.71073","MoKα","","0.0581","0.0379","","","0.0732","0.0798","","","","","","1.014","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106513","27.2749","0.0018","27.2749","0.0018","87.561","0.005","90","","90","","120","","56412","6","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C38 H38 B2 N12 O5 Zn2 -","- C38 H38 B2 N12 O5 Zn2 -","- C1368 H1368 B72 N432 O180 Zn72 -","36","1","","Hai-Xia Zhang; Fei Wang; Hui Yang; Yan-Xi Tan; Jian Zhang; Xianhui Bu","Interrupted Zeolite LTA and ATN-Type Boron Imidazolate Frameworks","Journal of the American Chemical Society","2011","133","","11884","11887","10.1021/ja2040927","","","0.71073","MoKα","","0.0646","0.0604","","","0.1939","0.2004","","","","","","1.091","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106514","18.8569","0.0004","18.8569","0.0004","16.0871","0.0007","90","","90","","90","","5720.3","0.3","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C38 H40 B2 N12 O4 Zn2 -","- C38 H40 B2 N12 O4 Zn2 -","- C152 H160 B8 N48 O16 Zn8 -","4","0.5","","Hai-Xia Zhang; Fei Wang; Hui Yang; Yan-Xi Tan; Jian Zhang; Xianhui Bu","Interrupted Zeolite LTA and ATN-Type Boron Imidazolate Frameworks","Journal of the American Chemical Society","2011","133","","11884","11887","10.1021/ja2040927","","","0.71073","MoKα","","0.106","0.0557","","","0.1499","0.1605","","","","","","0.859","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106515","8.8623","0.0006","8.8693","0.0005","21.6431","0.0013","90.066","0.003","89.973","0.003","119.982","0.003","1473.55","0.16","","","293","","","","","","","","","4","P -1","-P 1","2","","","","- Na9 O36 P9 Ti6 -","- Na8.8552 O36 P9 Ti6 -","- Na17.7104 O72 P18 Ti12 -","2","1","","Houria Kabbour; Daniel Coillot; Marie Colmont; Christian Masquelier; Olivier Mentré","α-Na3M2(PO4)3 (M = Ti, Fe): Absolute Cationic Ordering in NASICON-Type Phases","Journal of the American Chemical Society","2011","133","","11900","11903","10.1021/ja204321y","","","0.71073","MoKα","","0.0599","0.0334","","","0.0314","0.0497","","","","1.55","1.55","1.92","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106516","12.5388","0.0004","12.5388","0.0004","78.145","0.005","90","","90","","90","","12286.1","1","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C57 H58 B F24 Ir O2 P2 -","- C57 H58 B F24 Ir O2 P2 -","- C456 H464 B8 F192 Ir8 O16 P16 -","8","1","","Michael Findlater; Alison Cartwright-Sykes; Peter S. White; Cynthia K. Schauer; Maurice Brookhart","Role of Coordination Geometry in Dictating the Barrier to Hydride Migration in d6 Square-Pyramidal Iridium and Rhodium Pincer Complexes","Journal of the American Chemical Society","2011","133","","12274","12284","10.1021/ja204851x","","","1.54178","CuKα","","0.0352","0.0351","","","0.0803","0.0804","","","","","","1.216","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106517","9.2234","0.0002","17.7084","0.0005","9.9464","0.0003","90","","100.953","0.002","90","","1594.97","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H31 Cl2 P -","- C41 H31 Cl2 P -","- C82 H62 Cl4 P2 -","2","1","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.033","0.032","","","0.0836","0.0844","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106518","8.3572","0.0003","12.4724","0.0004","26.0754","0.0008","90","","90","","90","","2717.95","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N2 O4 -","- C31 H36 N2 O4 -","- C124 H144 N8 O16 -","4","1","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.0256","0.0254","","","0.0653","0.0657","","","","","","1.037","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106519","12.0044","0.0001","15.5921","0.0002","16.7986","0.0002","65.209","0.001","76.525","0.001","89.311","0.001","2762.81","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H37.25 N O8.12 -","- C28 H37.25 N O8.125 -","- C112 H149 N4 O32.5 -","4","4","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.0307","0.0304","","","0.0807","0.081","","","","","","1.039","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106520","13.1781","0.0003","9.1516","0.0002","15.7055","0.0003","90","","99.371","0.001","90","","1868.82","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 Cl O5 P -","- C17 H22 Cl O5 P -","- C68 H88 Cl4 O20 P4 -","4","2","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.027","0.0266","","","0.0708","0.0712","","","","","","1.041","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106521","9.5202","0.0003","10.1753","0.0003","16.8674","0.0005","90","","94.524","0.002","90","","1628.87","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H51 N O7 -","- C34 H51 N O7 -","- C68 H102 N2 O14 -","2","1","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.0555","0.0511","","","0.1396","0.1448","","","","","","1.029","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106522","11.195","0.003","16.747","0.004","16.954","0.003","66.344","0.014","83.747","0.019","84.97","0.02","2890.8","1.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H61 Cl2 N6 O9 P -","- C63 H57 Cl2 N6 O9 P -","- C126 H114 Cl4 N12 O18 P2 -","2","1","","Rehan Ahmed; Andrea Altieri; Daniel M. D'Souza; David A. Leigh; Kathleen M. Mullen; Marcus Papmeyer; Alexandra M. Z. Slawin; Jenny K. Y. Wong; J. Derek Woollins","Phosphorus-Based Functional Groups as Hydrogen Bonding Templates for Rotaxane Formation","Journal of the American Chemical Society","2011","133","","12304","12310","10.1021/ja2049786","","","0.71073","MoKα","","0.2643","0.1684","","","0.4024","0.4691","","","","","","1.231","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106523","11.2904","0.0009","17.0438","0.0014","19.3603","0.0016","99.939","0.001","99.152","0.001","108.496","0.001","3387.7","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.5 H63 Cl N6 O9 P S -","- C62.5 H57 Cl N6 O9 P S -","- C125 H114 Cl2 N12 O18 P2 S2 -","2","1","","Rehan Ahmed; Andrea Altieri; Daniel M. D'Souza; David A. Leigh; Kathleen M. Mullen; Marcus Papmeyer; Alexandra M. Z. Slawin; Jenny K. Y. Wong; J. Derek Woollins","Phosphorus-Based Functional Groups as Hydrogen Bonding Templates for Rotaxane Formation","Journal of the American Chemical Society","2011","133","","12304","12310","10.1021/ja2049786","","","0.71073","MoKα","","0.2339","0.124","","","0.3312","0.3892","","","","","","1.131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106524","11.2835","0.0011","17.0534","0.0016","19.5006","0.0019","100.417","0.002","99.293","0.002","108.483","0.002","3402.5","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.5 H60 Cl N6 O8 P Se -","- C62.5 H57 Cl N6 O8 P Se -","- C125 H114 Cl2 N12 O16 P2 Se2 -","2","1","","Rehan Ahmed; Andrea Altieri; Daniel M. D'Souza; David A. Leigh; Kathleen M. Mullen; Marcus Papmeyer; Alexandra M. Z. Slawin; Jenny K. Y. Wong; J. Derek Woollins","Phosphorus-Based Functional Groups as Hydrogen Bonding Templates for Rotaxane Formation","Journal of the American Chemical Society","2011","133","","12304","12310","10.1021/ja2049786","","","0.71073","MoKα","","0.3005","0.1456","","","0.3702","0.4299","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106525","10.159","0.002","12.609","0.005","13.2847","0.0017","75.17","0.04","65.18","0.05","79.37","0.05","1487.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Cl6 N6 O6 P2 -","- C60 H56 Cl6 N6 O6 P2 -","- C60 H56 Cl6 N6 O6 P2 -","1","0.5","","Rehan Ahmed; Andrea Altieri; Daniel M. D'Souza; David A. Leigh; Kathleen M. Mullen; Marcus Papmeyer; Alexandra M. Z. Slawin; Jenny K. Y. Wong; J. Derek Woollins","Phosphorus-Based Functional Groups as Hydrogen Bonding Templates for Rotaxane Formation","Journal of the American Chemical Society","2011","133","","12304","12310","10.1021/ja2049786","","","1.54178","CuKα","","0.2632","0.2367","","","0.5928","0.6115","","","","","","2.464","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106526","13.3677","0.0017","11.6746","0.0015","17.642","0.002","90","","100.17","","90","","2710","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H59 N5 O8 P2 -","- C59 H59 N5 O8 P2 -","- C118 H118 N10 O16 P4 -","2","0.5","","Rehan Ahmed; Andrea Altieri; Daniel M. D'Souza; David A. Leigh; Kathleen M. Mullen; Marcus Papmeyer; Alexandra M. Z. Slawin; Jenny K. Y. Wong; J. Derek Woollins","Phosphorus-Based Functional Groups as Hydrogen Bonding Templates for Rotaxane Formation","Journal of the American Chemical Society","2011","133","","12304","12310","10.1021/ja2049786","","","0.71073","MoKα","","0.2006","0.078","","","0.1529","0.2068","","","","","","1.005","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106527","9.697","0.0005","29.0923","0.0013","13.9203","0.0007","90","","103.605","0.001","90","","3816.8","0.3","186","2","186","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 Cl2 Dy2 N7 O9 -","- C33 H37 Cl2 Dy2 N7 O9 -","- C132 H148 Cl8 Dy8 N28 O36 -","4","1","","Yun-Nan Guo; Gong-Feng Xu; Wolfgang Wernsdorfer; Liviu Ungur; Yang Guo; Jinkui Tang; Hong-Jie Zhang; Liviu F. Chibotaru; Annie K. Powell","Strong Axiality and Ising Exchange Interaction Suppress Zero-Field Tunneling of Magnetization of an Asymmetric Dy2 Single-Molecule Magnet","Journal of the American Chemical Society","2011","133","","11948","11951","10.1021/ja205035g","","","0.71073","MoKα","","0.0618","0.0352","","","0.0624","0.0705","","","","","","1.001","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106528","12.306","0.002","15.287","0.002","7.0855","0.0011","90","","98.782","0.006","90","","1317.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","César R. Solorio-Alvarado; Yahui Wang; Antonio M. Echavarren","Cyclopropanation with Gold(I) Carbenes by Retro-Buchner Reaction from Cycloheptatrienes","Journal of the American Chemical Society","2011","133","","11952","11955","10.1021/ja205046h","","","0.71073","MoKα","","0.0648","0.0471","","","0.1091","0.1189","","","","","","1.038","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4106529","8.8529","0.0009","6.2316","0.0006","16.8666","0.0014","90","","102.238","0.007","90","","909.35","0.15","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H24 O3 -","- C22 H24 O3 -","- C44 H48 O6 -","2","1","","Yajing Lian; Huw M. L. Davies","Combined C-H Functionalization/Cope Rearrangement with Vinyl Ethers as a Surrogate for the Vinylogous Mukaiyama Aldol Reaction","Journal of the American Chemical Society","2011","133","","11940","11943","10.1021/ja2051155","","","1.54178","CuKα","","0.0426","0.0383","","","0.097","0.0996","","","","","","1.111","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106530","8.4696","0.0001","8.2702","0.0002","15.7541","0.0003","90","","103.045","0.001","90","","1075.02","0.04","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 O3 -","- C25 H28 O3 -","- C50 H56 O6 -","2","1","","Yajing Lian; Huw M. L. Davies","Combined C-H Functionalization/Cope Rearrangement with Vinyl Ethers as a Surrogate for the Vinylogous Mukaiyama Aldol Reaction","Journal of the American Chemical Society","2011","133","","11940","11943","10.1021/ja2051155","","","1.54178","CuKα","","0.0343","0.032","","","0.0834","0.0855","","","","","","1.017","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106531","8.8153","0.0007","9.6717","0.0008","10.6323","0.0009","90","","99.8","0.005","90","","893.27","0.13","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C40 H52 O6 -","2","1","","Yajing Lian; Huw M. L. Davies","Combined C-H Functionalization/Cope Rearrangement with Vinyl Ethers as a Surrogate for the Vinylogous Mukaiyama Aldol Reaction","Journal of the American Chemical Society","2011","133","","11940","11943","10.1021/ja2051155","","","1.54178","CuKα","","0.0307","0.03","","","0.0735","0.0742","","","","","","1.039","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106532","11.463","0.004","22.062","0.008","15.984","0.006","90","","107.21","0.007","90","","3861","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H49 N3 O2 -","- C47 H49 N3 O2 -","- C188 H196 N12 O8 -","4","2","","Hei Man Cheng; David A. Leigh; Francesca Maffei; Paul R. McGonigal; Alexandra M. Z. Slawin; Jhenyi Wu","En Route to a Molecular Sheaf: Active Metal Template Synthesis of a [3]Rotaxane with Two Axles Threaded through One Ring","Journal of the American Chemical Society","2011","133","","12298","12303","10.1021/ja205167e","","","1.54178","CuKα","","0.1409","0.1077","","","0.2891","0.3276","","","","","","1.129","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106533","48.61","0.02","13.472","0.006","15.627","0.007","90","","92.939","0.01","90","","10220","8","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H66 Cl2 N4 Ni O4 -","- C54 H66 Cl2 N4 Ni O4 -","- C432 H528 Cl16 N32 Ni8 O32 -","8","1","","Hei Man Cheng; David A. Leigh; Francesca Maffei; Paul R. McGonigal; Alexandra M. Z. Slawin; Jhenyi Wu","En Route to a Molecular Sheaf: Active Metal Template Synthesis of a [3]Rotaxane with Two Axles Threaded through One Ring","Journal of the American Chemical Society","2011","133","","12298","12303","10.1021/ja205167e","","","0.71073","MoKα","","0.3606","0.3104","","","0.6109","0.628","","","","","","1.889","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106534","15.632","0.006","19.012","0.008","20.288","0.009","105.149","0.007","102.006","0.004","96.112","0.006","5609","4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C128.5 H148.5 Cl4.5 N3 O4 -","- C128.5 H148.5 Cl4.5 N3 O4 -","- C257 H297 Cl9 N6 O8 -","2","1","","Hei Man Cheng; David A. Leigh; Francesca Maffei; Paul R. McGonigal; Alexandra M. Z. Slawin; Jhenyi Wu","En Route to a Molecular Sheaf: Active Metal Template Synthesis of a [3]Rotaxane with Two Axles Threaded through One Ring","Journal of the American Chemical Society","2011","133","","12298","12303","10.1021/ja205167e","","","0.71073","MoKα","","0.2461","0.2014","","","0.502","0.5281","","","","","","1.704","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106535","14.886","0.003","25.124","0.006","29.79","0.007","91.765","0.01","100.119","0.009","90.483","0.013","10962","4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C217 H255 Cl30 N3 O6 -","- C207 H245 N3 O6 -","- C414 H490 N6 O12 -","2","1","","Hei Man Cheng; David A. Leigh; Francesca Maffei; Paul R. McGonigal; Alexandra M. Z. Slawin; Jhenyi Wu","En Route to a Molecular Sheaf: Active Metal Template Synthesis of a [3]Rotaxane with Two Axles Threaded through One Ring","Journal of the American Chemical Society","2011","133","","12298","12303","10.1021/ja205167e","","","1.54178","CuKα","","0.2215","0.19","","","0.4756","0.5084","","","","","","1.731","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106536","8.439","0.002","10.943","0.002","14.35","0.003","95.67","0.02","103.27","0.03","93.68","0.02","1278.3","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H41 N3 Si3 -","- C21 H41 N3 Si3 -","- C42 H82 N6 Si6 -","2","1","","Sakya S. Sen; Jakob Hey; Regine Herbst-Irmer; Herbert W. Roesky; Dietmar Stalke","Striking Stability of a Substituted Silicon(II) Bis(trimethylsilyl)amide and the Facile Si-Me Bond Cleavage without a Transition Metal Catalyst","Journal of the American Chemical Society","2011","133","","12311","12316","10.1021/ja205369h","","","0.71073","MoKα","","0.0291","0.0277","","","0.0739","0.075","","","","","","1.028","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106537","12.866","0.002","16.639","0.002","17.09","0.003","90.72","0.02","108.43","0.03","91.82","0.02","3468.2","1.1","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 N3 P Si3 -","- C32 H56 N3 P Si3 -","- C128 H224 N12 P4 Si12 -","4","2","","Sakya S. Sen; Jakob Hey; Regine Herbst-Irmer; Herbert W. Roesky; Dietmar Stalke","Striking Stability of a Substituted Silicon(II) Bis(trimethylsilyl)amide and the Facile Si-Me Bond Cleavage without a Transition Metal Catalyst","Journal of the American Chemical Society","2011","133","","12311","12316","10.1021/ja205369h","","","0.56086","AgKα","","0.0471","0.0366","","","0.0937","0.0998","","","","","","1.026","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106538","15.5405","0.0011","22.8781","0.0016","13.0991","0.0009","90","","96.3383","0.0012","90","","4628.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 B12 Br6 Cl2 N3 -","- C40 H31 B12 Br6 Cl2 N3 -","- C160 H124 B48 Br24 Cl8 N12 -","4","1","","Eiji Tsurumaki; Shin-ya Hayashi; Fook S. Tham; Christopher A. Reed; Atsuhiro Osuka","Planar Subporphyrin Borenium Cations","Journal of the American Chemical Society","2011","133","","11956","11959","10.1021/ja2056566","","","0.71073","MoKα","","0.0392","0.028","","","0.0749","0.0798","","","","","","1.062","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106539","15.4879","0.0008","22.9139","0.0011","12.9574","0.0006","90","","97.3448","0.0008","90","","4560.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 B12 Br6 N3 -","- C41 H35 B12 Br6 N3 -","- C164 H140 B48 Br24 N12 -","4","1","","Eiji Tsurumaki; Shin-ya Hayashi; Fook S. Tham; Christopher A. Reed; Atsuhiro Osuka","Planar Subporphyrin Borenium Cations","Journal of the American Chemical Society","2011","133","","11956","11959","10.1021/ja2056566","","","0.71073","MoKα","","0.06","0.0336","","","0.0792","0.0886","","","","","","1.073","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106540","15.6543","0.0009","22.8709","0.0013","12.8313","0.0007","90","","98.0451","0.0009","90","","4548.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 B12 Br6 Cl N3 -","- C40 H32 B12 Br6 Cl N3 -","- C160 H128 B48 Br24 Cl4 N12 -","4","1","","Eiji Tsurumaki; Shin-ya Hayashi; Fook S. Tham; Christopher A. Reed; Atsuhiro Osuka","Planar Subporphyrin Borenium Cations","Journal of the American Chemical Society","2011","133","","11956","11959","10.1021/ja2056566","","","0.71073","MoKα","","0.0499","0.0296","","","0.0656","0.0717","","","","","","1.012","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106541","10.4383","0.0002","11.4249","0.0003","13.4169","0.0003","103.218","0.0014","110.665","0.0013","104.254","0.0014","1360.35","0.06","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H26 B N3 -","- C39 H26 B N3 -","- C78 H52 B2 N6 -","2","1","","Eiji Tsurumaki; Shin-ya Hayashi; Fook S. Tham; Christopher A. Reed; Atsuhiro Osuka","Planar Subporphyrin Borenium Cations","Journal of the American Chemical Society","2011","133","","11956","11959","10.1021/ja2056566","","","1.54187","CuKα","","0.0888","0.0575","","","0.1275","0.1533","","","","","","0.976","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106542","15.8497","0.0012","25.8968","0.0011","17.0594","0.0007","90","","95.87","","90","","6965.4","0.7","90","2","90","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C42 H54 Ge -","- C42 H54 Ge -","- C336 H432 Ge8 -","8","1","","Owen T. Summerscales; James C. Fettinger; Philip P. Power","C-H Activation of Cycloalkenes by Dimetallynes (M = Ge, Sn) under Ambient Conditions","Journal of the American Chemical Society","2011","133","","11960","11963","10.1021/ja205816d","","","0.71073","MoKα","","0.049","0.0351","","","0.074","0.079","","","","","","1.023","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106543","18.0854","0.0015","10.1004","0.0008","33.039","0.003","90","","92.544","0.002","90","","6029.3","0.9","90","2","90","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C35 H42 Ge -","- C35 H42 Ge -","- C280 H336 Ge8 -","8","1","","Owen T. Summerscales; James C. Fettinger; Philip P. Power","C-H Activation of Cycloalkenes by Dimetallynes (M = Ge, Sn) under Ambient Conditions","Journal of the American Chemical Society","2011","133","","11960","11963","10.1021/ja205816d","","","1.54178","CuKα","","0.0279","0.0277","","","0.0757","0.0758","","","","","","1.062","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106544","8.446","0.003","13.046","0.004","15.923","0.005","70.057","0.004","85.699","0.005","78.622","0.004","1616.8","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.33 H23.33 Br0.67 Ni0.67 P1.33 -","- C25.3333 H23.3333 Br0.666667 Ni0.666667 P1.33333 -","- C76 H70 Br2 Ni2 P4 -","3","1.5","","Christopher A. Traina; Ronald C. Bakus II; Guillermo C. Bazan","Design and Synthesis of Monofunctionalized, Water-Soluble Conjugated Polymers for Biosensing and Imaging Applications","Journal of the American Chemical Society","2011","133","","12600","12607","10.1021/ja202877q","","","0.71073","MoKα","","0.0639","0.0476","","","0.1158","0.1308","","","","","","1.245","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106545","21.936","0.003","19.036","0.002","24.287","0.003","90","","90","","90","","10142","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C62 H54 Ni P4 -","- C62 H54 Ni P4 -","- C496 H432 Ni8 P32 -","8","1","","Christopher A. Traina; Ronald C. Bakus II; Guillermo C. Bazan","Design and Synthesis of Monofunctionalized, Water-Soluble Conjugated Polymers for Biosensing and Imaging Applications","Journal of the American Chemical Society","2011","133","","12600","12607","10.1021/ja202877q","","","0.71073","MoKα","","0.1052","0.0675","","","0.1464","0.16","","","","","","1.169","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106546","10.62017","0.00015","10.62017","0.00015","9.84171","0.00014","90","","90","","120","","961.31","0.02","293","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C11 H11 N O5 Sr -","- C11 H11 N O5 Sr -","- C33 H33 N3 O15 Sr3 -","3","1","","Chen Pan; Jiangpu Nan; Xueliang Dong; Xiao-Ming Ren; Wanqin Jin","A Highly Thermally Stable Ferroelectric Metal-Organic Framework and Its Thin Film with Substrate Surface Nature Dependent Morphology","Journal of the American Chemical Society","2011","133","","12330","12333","10.1021/ja2031568","","","1.54184","CuKα","","0.0242","0.0242","","","0.0642","0.0642","","","","","","1.071","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106547","10.6396","0.0003","10.6396","0.0003","9.8731","0.0003","90","","90","","120","","967.91","0.05","403","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C11 H11 N O5 Sr -","- C11 H11 N O5 Sr -","- C33 H33 N3 O15 Sr3 -","3","1","","Chen Pan; Jiangpu Nan; Xueliang Dong; Xiao-Ming Ren; Wanqin Jin","A Highly Thermally Stable Ferroelectric Metal-Organic Framework and Its Thin Film with Substrate Surface Nature Dependent Morphology","Journal of the American Chemical Society","2011","133","","12330","12333","10.1021/ja2031568","","","1.54184","CuKα","","0.0231","0.023","","","0.0636","0.0636","","","","","","1.148","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106548","10.6123","0.0002","10.6123","0.0002","9.8289","0.0002","90","","90","","120","","958.64","0.03","243","2","243","2","","","","","","","","5","P 31","P 31","144","","","","- C11 H11 N O5 Sr -","- C11 H11 N O5 Sr -","- C33 H33 N3 O15 Sr3 -","3","1","","Chen Pan; Jiangpu Nan; Xueliang Dong; Xiao-Ming Ren; Wanqin Jin","A Highly Thermally Stable Ferroelectric Metal-Organic Framework and Its Thin Film with Substrate Surface Nature Dependent Morphology","Journal of the American Chemical Society","2011","133","","12330","12333","10.1021/ja2031568","","","1.54184","CuKα","","0.0204","0.0204","","","0.0553","0.0554","","","","","","1.115","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106549","5.4168","0.0008","9.594","0.0015","23.395","0.004","90","","93.42","0.011","90","","1213.6","0.3","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 Cl N2 O4 -","- C25 H33 Cl N2 O4 -","- C50 H66 Cl2 N4 O8 -","2","1","","Arjun Raghuraman; Eunhwa Ko; Lisa M. Perez; Thomas R. Ioerger; Kevin Burgess","Pyrrolinone-Pyrrolidine Oligomers as Universal Peptidomimetics","Journal of the American Chemical Society","2011","133","","12350","12353","10.1021/ja2033734","","","1.54178","CuKα","","0.0865","0.0604","","","0.1347","0.1492","","","","","","1.009","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106550","11.8906","0.0006","5.7704","0.0003","13.5908","0.0007","90","","106.185","0.004","90","","895.55","0.08","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl N2 O2 -","- C19 H27 Cl N2 O2 -","- C38 H54 Cl2 N4 O4 -","2","1","","Arjun Raghuraman; Eunhwa Ko; Lisa M. Perez; Thomas R. Ioerger; Kevin Burgess","Pyrrolinone-Pyrrolidine Oligomers as Universal Peptidomimetics","Journal of the American Chemical Society","2011","133","","12350","12353","10.1021/ja2033734","","","1.54178","CuKα","","0.0723","0.0634","","","0.1608","0.1691","","","","","","1.008","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106551","9.08","0.003","6.0442","0.0011","33.842","0.009","90","","95.46","0.02","90","","1848.9","0.9","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H28.5 N2 O2 S -","- C17 H28.5 N2 O2 S -","- C68 H114 N8 O8 S4 -","4","2","","Arjun Raghuraman; Eunhwa Ko; Lisa M. Perez; Thomas R. Ioerger; Kevin Burgess","Pyrrolinone-Pyrrolidine Oligomers as Universal Peptidomimetics","Journal of the American Chemical Society","2011","133","","12350","12353","10.1021/ja2033734","","","1.54178","CuKα","","0.1248","0.1036","","","0.2324","0.2477","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106552","47.974","0.004","9.6045","0.0009","11.7572","0.0012","90","","90","","90","","5417.3","0.9","90","2","90","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26.5 H26 Br Cl N2 O5 -","- C26.5 H26 Br Cl N2 O5 -","- C212 H208 Br8 Cl8 N16 O40 -","8","2","","Bin Tan; Gloria Hernández-Torres; Carlos F. Barbas","Highly Efficient Hydrogen-Bonding Catalysis of the Diels-Alder Reaction of 3-Vinylindoles and Methyleneindolinones Provides Carbazolespirooxindole Skeletons","Journal of the American Chemical Society","2011","133","","12354","12357","10.1021/ja203812h","","","1.54178","CuKα","","0.053","0.0515","","","0.1374","0.1384","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106553","15.3344","0.0008","11.4973","0.0006","14.4707","0.0008","90","","97.947","0.01","90","","2526.7","0.2","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O2 Pt S3 -","- C26 H25 N O2 Pt S3 -","- C104 H100 N4 O8 Pt4 S12 -","4","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.0219","0.0192","","","0.0484","0.0497","","","","","","1.046","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106554","24.4562","0.0012","7.1073","0.0003","32.098","0.0015","90","","90","","90","","5579.2","0.4","297","2","297","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H19 F6 N O2 Pt S3 -","- C25.24 H19 F4.86 N O2 Pt S3 -","- C201.92 H152 F38.88 N8 O16 Pt8 S24 -","8","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.0602","0.0365","","","0.0691","0.0771","","","","","","1.082","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106555","23.202","0.004","15.922","0.003","15.283","0.003","90","","107.969","0.003","90","","5370.5","1.7","306","2","306","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 F3 N O2 Pt S3 -","- C27 H24 F3 N O2 Pt S3 -","- C216 H192 F24 N8 O16 Pt8 S24 -","8","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.027","0.0224","","","0.0535","0.0552","","","","","","1.015","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106556","8.412","0.0007","9.606","0.0007","16.498","0.0013","90.585","0.01","92.948","0.01","91.306","0.01","1330.94","0.18","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 N O2 Pt S3 -","- C27 H27 N O2 Pt S3 -","- C54 H54 N2 O4 Pt2 S6 -","2","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.021","0.0189","","","0.0472","0.0484","","","","","","1.011","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106557","7.0412","0.0009","12.5626","0.0016","18.034","0.002","96.176","0.002","100.995","0.002","105.429","0.002","1488.2","0.3","305","2","305","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H19 F6 N O2 Pt S4 -","- C28 H19 F4.59 N O2 Pt S4 -","- C56 H38 F9.18 N2 O4 Pt2 S8 -","2","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.0353","0.0325","","","0.0892","0.0918","","","","","","1.03","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106558","10.3089","0.0003","14.409","0.0004","10.5351","0.0003","90","","116.395","0.001","90","","1401.75","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Shengtao Ding; Ning Jiao","Direct Transformation of N,N-Dimethylformamide to -CN: Pd-Catalyzed Cyanation of Heteroarenes via C-H Functionalization","Journal of the American Chemical Society","2011","133","","12374","12377","10.1021/ja204063z","","","0.71073","MoKα","","0.0479","0.0409","","","0.1096","0.1174","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106559","17.2841","0.0017","20.945","0.002","18.8248","0.0018","90","","109.355","0.001","90","","6429.7","1.1","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Ni(PPh2NPhOMe2)2(MeCN)](BF4)2","","","- C64 H70 B2 F8 N6 Ni O4 P4 -","- C64 H70 B2 F8 N6 Ni O4 P4 -","- C256 H280 B8 F32 N24 Ni4 O16 P16 -","4","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0571","0.0448","","","0.1018","0.1121","","","","","","1.076","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106560","35.14","0.02","13.213","0.008","26.165","0.015","90","","96.356","0.008","90","","12074","12","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ni(PCy2NPh2)2(MeCN)](BF4)2","","","- C60 H86 B2 F8 N6 Ni P4 -","- C60 H86 B2 F8 N6 Ni P4 -","- C480 H688 B16 F64 N48 Ni8 P32 -","8","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0976","0.0602","","","0.1259","0.1471","","","","","","1.016","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106561","9.481","0.003","12.34","0.004","17.657","0.005","101.202","0.004","102.372","0.004","102.077","0.004","1910.3","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","[Ni(PCy2NPh2)(ACN)2](BF4)2*ACN","[Ni(PCy2NPh2)2(ACN)2](BF4)2*ACN","","- C34 H49 B2 F8 N5 Ni P2 -","- C34 H49 B2 F8 N5 Ni P2 -","- C68 H98 B4 F16 N10 Ni2 P4 -","2","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0497","0.0372","","","0.0825","0.0904","","","","","","1.04","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106562","24.3203","0.0012","24.3203","0.0012","40.323","0.0019","90","","90","","90","","23850","2","293","2","293","2","","","","","","","","8","I 41/a :2","-I 4ad","88","[Ni(PCy2NPh2)(PPh2NPh2)(MeCN)](BF4)2","","","- C59.5 H74.75 B2 F8 N5 Ni O0.38 P4 -","- C59.58 H74.85 B2.005 F8.035 N5 Ni O0.38 P4 -","- C953.28 H1197.6 B32.08 F128.56 N80 Ni16 O6.08 P64 -","16","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0855","0.064","","","0.1763","0.1949","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106563","10.01","0.01","10.985","0.011","26.28","0.03","90","","90.87","0.012","90","","2889","5","253","2","253","2","","","","","","","","6","P 1 n 1","P -2yac","7","[Ni(PPh2NPhOMe2)2]","","","- C64 H72 N4 Ni O5 P4 -","- C64 H72 N4 Ni O5 P4 -","- C128 H144 N8 Ni2 O10 P8 -","2","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0326","0.0318","","","0.0846","0.0855","","","","","","1.061","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106564","24.0216","0.0011","17.6157","0.0008","14.6064","0.0007","90","","90","","90","","6180.8","0.5","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","[Ni(PPh2NBn2)2(OAc)]BF4","","","- C66 H77 B F4 N4 Ni O3 P4 -","- C66 H77 B F4 N4 Ni O3 P4 -","- C264 H308 B4 F16 N16 Ni4 O12 P16 -","4","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0647","0.0429","","","0.0889","0.0974","","","","","","1.022","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106565","13.0125","0.0004","13.2606","0.0005","14.7131","0.0005","112.618","0.002","112.805","0.002","91.713","0.002","2112.03","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TBAHCO2 HCO2H","","","- C18 H39 N O4 -","- C18 H39 N O4 -","- C72 H156 N4 O16 -","4","2","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0635","0.0508","","","0.1293","0.1363","","","","","","1.101","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106566","15.913","0.003","12.505","0.003","11.285","0.002","90","","90","","90","","2245.6","0.8","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H34 B F4 N O7 -","- C19 H34 B F4 N O7 -","- C76 H136 B4 F16 N4 O28 -","4","1","","Da-Wei Fu; Wen Zhang; Hong-Ling Cai; Yi Zhang; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Supramolecular Bola-Like Ferroelectric: 4-Methoxyanilinium Tetrafluoroborate-18-crown-6","Journal of the American Chemical Society","2011","133","","12780","12786","10.1021/ja204540g","","","0.71073","MoKα","","0.0343","0.0324","","","0.0788","0.0824","","","","","","1.041","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106567","15.989","0.003","11.336","0.002","12.676","0.003","90","","90","","90","","2297.5","0.8","243","2","243","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H34 B F4 N O7 -","- C19 H34 B F4 N O7 -","- C76 H136 B4 F16 N4 O28 -","4","0.5","","Da-Wei Fu; Wen Zhang; Hong-Ling Cai; Yi Zhang; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Supramolecular Bola-Like Ferroelectric: 4-Methoxyanilinium Tetrafluoroborate-18-crown-6","Journal of the American Chemical Society","2011","133","","12780","12786","10.1021/ja204540g","","","0.71073","MoKα","","0.054","0.0485","","","0.1224","0.1279","","","","","","1.112","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106568","17.0293","0.0003","17.0293","","17.0293","","90","","90","","90","","4938.45","0.09","","","100","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C96 I5.04 N48 Zn12 -","- C96 I5.04 N48 Zn12 -","- C96 I5.04 N48 Zn12 -","1","0.0208333","","Dorina F. Sava; Mark A. Rodriguez; Karena W. Chapman; Peter J. Chupas; Jeffery A. Greathouse; Paul S. Crozier; Tina M. Nenoff","Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8","Journal of the American Chemical Society","2011","133","","12398","12401","10.1021/ja204757x","powder diffraction","x-ray","0.413914","synchrotron","","","","","","","","0.12955","","2.14","","","","","","","has coordinates,has Fobs","178811","2020-10-21","18:00:00",""
"4106569","16.9331","0.001","16.9331","","16.9331","","90","","90","","90","","4855.2","0.3","","","100","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C48 I7.56 N24 Zn6 -","- C48 I7.56 N24 Zn6 -","- C96 I15.12 N48 Zn12 -","2","0.0416667","","Dorina F. Sava; Mark A. Rodriguez; Karena W. Chapman; Peter J. Chupas; Jeffery A. Greathouse; Paul S. Crozier; Tina M. Nenoff","Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8","Journal of the American Chemical Society","2011","133","","12398","12401","10.1021/ja204757x","powder diffraction","x-ray","0.413914","","","","","","","","","0.14012","","2.07","","","","","","","has coordinates,has Fobs","178811","2020-10-21","18:00:00",""
"4106570","30.927","0.011","30.927","0.011","86.9","0.06","90","","90","","120","","71982","6","180","2","180","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C178 H148 Ce4 N30 O31 -","- C177.91 H130.86 Ce4 N29.98 O30.935 -","- C2134.92 H1570.32 Ce48 N359.76 O371.22 -","12","0.333333","","Jian Wang; Cheng He; Pengyan Wu; Jing Wang; Chunying Duan","An Amide-Containing Metal-Organic Tetrahedron Responding to a Spin-Trapping Reaction in a Fluorescent Enhancement Manner for Biological Imaging of NO in Living Cells","Journal of the American Chemical Society","2011","133","","12402","12405","10.1021/ja2048489","","","0.71073","MoKα","","0.1082","0.0692","","","0.1882","0.2031","","","","","","0.993","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106571","36.2592","0.0014","6.5906","0.0003","11.6976","0.0005","90","","90","","90","","2795.4","0.2","143","1","143","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H26 Cl N -","- C15 H26 Cl N -","- C120 H208 Cl8 N8 -","8","2","","Jun Wang; Chunlong Ma; Giacomo Fiorin; Vincenzo Carnevale; Tuo Wang; Fanghao Hu; Robert A. Lamb; Lawrence H. Pinto; Mei Hong; Michael L. Klein; William F. DeGrado","Molecular Dynamics Simulation Directed Rational Design of Inhibitors Targeting Drug-Resistant Mutants of Influenza A Virus M2","Journal of the American Chemical Society","2011","133","","12834","12841","10.1021/ja204969m","","","0.71073","MoKα","","0.0279","0.0262","","","0.0656","0.0665","","","","","","1.067","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106572","12.215","0.006","18.138","0.009","17.386","0.008","90","","108.382","0.007","90","","3655","3","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C87 H36 N2 -","- C87 H36 N2 -","- C174 H72 N4 -","2","0.5","","Huaping Li; Chad Risko; Jung Hwa Seo; Casey Campbell; Guang Wu; Jean-Luc Brédas; Guillermo C. Bazan","Fullerene-Carbene Lewis Acid-Base Adducts","Journal of the American Chemical Society","2011","133","","12410","12413","10.1021/ja204974m","","","0.71073","MoKα","","0.4684","0.4","","","0.7571","0.7908","","","","","","3.469","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4106573","10.7392","0.0017","26.82","0.004","20.359","0.003","90","","99.172","0.002","90","","5788.9","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C98 H37 Cl3 N2 -","- C98 H37 Cl3 N2 -","- C392 H148 Cl12 N8 -","4","1","","Huaping Li; Chad Risko; Jung Hwa Seo; Casey Campbell; Guang Wu; Jean-Luc Brédas; Guillermo C. Bazan","Fullerene-Carbene Lewis Acid-Base Adducts","Journal of the American Chemical Society","2011","133","","12410","12413","10.1021/ja204974m","","","0.71073","MoKα","","0.3786","0.2446","","","0.5107","0.5592","","","","","","2.671","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106574","9.4077","0.0008","17.7033","0.0014","21.4739","0.0017","90","","94.762","0.002","90","","3564.1","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","L(tBu)Co(THF)","","","- C39 H61 Co N2 O -","- C39 H61 Co N2 O -","- C156 H244 Co4 N8 O4 -","4","1","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.1263","0.06","","","0.1081","0.1308","","","","","","1.004","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106575","12.0637","0.0014","14.4861","0.0016","18.32","0.002","90","","104.359","0.002","90","","3101.5","0.6","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","L(tBu)Co","","","- C35 H53 Co N2 -","- C35 H53 Co N2 -","- C140 H212 Co4 N8 -","4","1","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.0644","0.0425","","","0.0989","0.1076","","","","","","1.036","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106576","21.782","0.002","12.8292","0.0011","17.205","0.0015","90","","96.28","0.002","90","","4779","0.7","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","L(tBu)Co(PPh3)","","","- C55 H73 Co N2 O0.5 P -","- C55 H73 Co N2 O0.5 P -","- C220 H292 Co4 N8 O2 P4 -","4","1","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.1032","0.0622","","","0.1264","0.1462","","","","","","1.027","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106577","9.4586","0.0005","12.3354","0.0007","15.987","0.0009","97.994","0.001","97.008","0.001","111.209","0.001","1691.79","0.16","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","L(tBu)Co(CO)2","holtd31","","- C37 H53 Co N2 O2 -","- C37 H53 Co N2 O2 -","- C74 H106 Co2 N4 O4 -","2","1","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.0536","0.0394","","","0.0985","0.1061","","","","","","1.036","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106578","17.236","0.003","12.3908","0.0019","17.302","0.003","90","","90","","90","","3695.2","1.1","100","0.1","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","L(tBu)CoPh","","","- C41 H58 Co N2 -","- C41 H58 Co N2 -","- C164 H232 Co4 N8 -","4","1","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.0802","0.047","","","0.0977","0.1112","","","","","","1.021","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106579","24.218","0.002","12.1814","0.0012","26.222","0.003","90","","111.373","0.002","90","","7203.7","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[L(tBu)CoF]2","","","- C70 H106 Co2 F2 N4 -","- C70 H106 Co2 F2 N4 -","- C280 H424 Co8 F8 N16 -","4","0.5","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.0973","0.0541","","","0.1334","0.1494","","","","","","1.024","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106580","6.3098","0.0006","8.9274","0.0009","14.807","0.0015","84.292","0.002","87.09","0.002","78.703","0.002","813.45","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","frojb01","","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C38 H50 N2 O4 -","2","1","","Joshua L. Brooks; Patrick A. Caruana; Alison J. Frontier","Conjugate Addition-Initiated Nazarov Cyclization","Journal of the American Chemical Society","2011","133","","12454","12457","10.1021/ja205440x","","","0.71073","MoKα","","0.0684","0.0504","","","0.1363","0.1513","","","","","","1.066","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106581","16.29","0.003","8.385","0.0013","11.2023","0.0018","90","","92.568","0.003","90","","1528.6","0.4","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frojb04","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Joshua L. Brooks; Patrick A. Caruana; Alison J. Frontier","Conjugate Addition-Initiated Nazarov Cyclization","Journal of the American Chemical Society","2011","133","","12454","12457","10.1021/ja205440x","","","0.71073","MoKα","","0.0644","0.0416","","","0.0965","0.108","","","","","","1.022","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106582","20.782","0.002","6.3342","0.0008","24.168","0.003","90","","93.654","0.002","90","","3174.9","0.6","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","frojb05","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C144 H184 N8 O16 -","8","1","","Joshua L. Brooks; Patrick A. Caruana; Alison J. Frontier","Conjugate Addition-Initiated Nazarov Cyclization","Journal of the American Chemical Society","2011","133","","12454","12457","10.1021/ja205440x","","","0.71073","MoKα","","0.0645","0.0455","","","0.1157","0.1267","","","","","","1.034","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106583","27.58","0.009","27.638","0.009","32.095","0.011","100.987","0.004","92.098","0.004","107.123","0.004","22839","13","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C260 H316 N78.89 O120.31 Pd12 Ru4 -","- C260 H316 N78.887 O120.297 Pd12 Ru4 -","- C520 H632 N157.774 O240.594 Pd24 Ru8 -","2","1","","Shinnosuke Horiuchi; Takashi Murase; Makoto Fujita","Noncovalent Trapping and Stabilization of Dinuclear Ruthenium Complexes within a Coordination Cage","Journal of the American Chemical Society","2011","133","","12445","12447","10.1021/ja205450a","","","0.71073","MoKα","","0.2206","0.1153","","","0.317","0.3926","","","","","","1.176","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106584","5.6584","0.0004","11.0386","0.0008","5.7476","0.0004","90","","90","","90","","359","0.04","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- Bi I O4 -","- Bi I O4 -","- Bi4 I4 O16 -","4","1","","Sau Doan Nguyen; Jeongho Yeon; Sang-Hwan Kim; P. Shiv Halasyamani","BiO(IO3): A New Polar Iodate that Exhibits an Aurivillius-Type (Bi2O2)2+ Layer and a Large SHG Response","Journal of the American Chemical Society","2011","133","","12422","12425","10.1021/ja205456b","","","0.71073","MoKα","","0.0193","0.019","","","0.0483","0.0484","","","","","","1.11","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106585","13.541","0.003","13.757","0.004","14.826","0.004","73.397","0.014","82.728","0.013","76.658","0.014","2569.8","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","michael037b","michael037b","","- C59 H68 B Mn N4 O3 S -","- C59 H68 B Mn N4 O3 S -","- C118 H136 B2 Mn2 N8 O6 S2 -","2","1","","Michael K. Coggins; Julie A. Kovacs","Structural and Spectroscopic Characterization of Metastable Thiolate-Ligated Manganese(III)-Alkylperoxo Species","Journal of the American Chemical Society","2011","133","","12470","12473","10.1021/ja205520u","","","0.71073","MoKα","","0.3733","0.0964","","","0.1155","0.1914","","","","","","0.944","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106586","15.098","0.005","20.289","0.007","20.645","0.007","69.84","0.02","83.47","0.02","78.29","0.02","5806","4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","michael039","michael039","","- C66 H73 B Mn N5 O3 S -","- C66 H73 B Mn N5 O3 S -","- C264 H292 B4 Mn4 N20 O12 S4 -","4","2","","Michael K. Coggins; Julie A. Kovacs","Structural and Spectroscopic Characterization of Metastable Thiolate-Ligated Manganese(III)-Alkylperoxo Species","Journal of the American Chemical Society","2011","133","","12470","12473","10.1021/ja205520u","","","0.71073","MoKα","","0.4381","0.162","","","0.3001","0.4441","","","","","","0.976","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106587","13.5158","0.0003","17.0228","0.0003","26.8741","0.0005","90","","95.909","0.001","90","","6150.3","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 B12 Cl16 Fe2 Si2 -","- C42 H50 B12 Cl16 Fe2 Si2 -","- C168 H200 B48 Cl64 Fe8 Si8 -","4","1","","Kristine Müther; Roland Fröhlich; Christian Mück-Lichtenfeld; Stefan Grimme; Martin Oestreich","A Unique Transition Metal-Stabilized Silicon Cation","Journal of the American Chemical Society","2011","133","","12442","12444","10.1021/ja205538t","","","0.71073","MoKα","","0.1344","0.1067","","","0.2951","0.3307","","","","","","1.046","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106588","9.0205","0.0006","19.6632","0.0014","16.1365","0.0012","90","","92.825","0.004","90","","2858.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 B F10 P -","- C29 H36 B F10 P -","- C116 H144 B4 F40 P4 -","4","1","","Xiaoxi Zhao; Douglas W. Stephan","Olefin-Borane ""van der Waals Complexes"": Intermediates in Frustrated Lewis Pair Addition Reactions","Journal of the American Chemical Society","2011","133","","12448","12450","10.1021/ja205598k","","","0.71073","MoKα","","0.124","0.0589","","","0.1266","0.1521","","","","","","1.011","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106589","11.4645","0.0004","14.2814","0.0005","17.6884","0.0006","90","","105.199","0.002","90","","2794.8","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 B F10 P -","- C28 H34 B F10 P -","- C112 H136 B4 F40 P4 -","4","1","","Xiaoxi Zhao; Douglas W. Stephan","Olefin-Borane ""van der Waals Complexes"": Intermediates in Frustrated Lewis Pair Addition Reactions","Journal of the American Chemical Society","2011","133","","12448","12450","10.1021/ja205598k","","","0.71073","MoKα","","0.0996","0.0632","","","0.1632","0.1845","","","","","","1.047","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106590","13.0483","0.0016","15.951","0.002","17.5001","0.0019","90","","110.878","0.005","90","","3403.2","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 B F10 P -","- C36 H44 B F10 P -","- C144 H176 B4 F40 P4 -","4","1","","Xiaoxi Zhao; Douglas W. Stephan","Olefin-Borane ""van der Waals Complexes"": Intermediates in Frustrated Lewis Pair Addition Reactions","Journal of the American Chemical Society","2011","133","","12448","12450","10.1021/ja205598k","","","0.71073","MoKα","","0.1193","0.0509","","","0.095","0.1167","","","","","","0.993","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106591","6.0055","0.0002","27.8264","0.0008","8.3886","0.0002","90","","99.216","0.002","90","","1383.74","0.07","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 Cl2 N2 O4 -","- C29 H32 Cl2 N2 O4 -","- C58 H64 Cl4 N4 O8 -","2","1","","Xiaodan Zhao; Daniel A. DiRocco; Tomislav Rovis","N-Heterocyclic Carbene and Brønsted Acid Cooperative Catalysis: Asymmetric Synthesis of trans-γ-Lactams","Journal of the American Chemical Society","2011","133","","12466","12469","10.1021/ja205714g","","","0.71073","MoKα","","0.0774","0.0589","","","0.1588","0.1787","","","","","","1.057","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106592","33.068","0.003","17.4569","0.0017","11.9688","0.0011","90","","93.376","0.001","90","","6897.2","1.1","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Bis{bis[bis(trimethylsilyl)methyl]isopropylsilyl} -1,3-bis(3,5-dimethylphenyl)-1,3-diaza-2,4-disilacyclobutane-2,4-diyl","","- C54 H116 N2 O Si12 -","- C54 H116 N2 O Si12 -","- C216 H464 N8 O4 Si48 -","4","0.5","","Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi","Access to a Stable Si2N2 Four-Membered Ring with Non-Kekulé Singlet Biradical Character from a Disilyne","Journal of the American Chemical Society","2011","133","","12478","12481","10.1021/ja2059846","","","0.71073","MoKα","","0.0444","0.0394","","","0.1139","0.1193","","","","","","1.032","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106593","9.949","0.0005","13.7022","0.0007","14.5004","0.0007","101.017","0.001","106.539","0.001","109.213","0.001","1698.56","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","trans-2,4-Bis{bis[bis(trimethylsilyl)methyl]isopropylsilyl}-2,4-dichloro- 1,3-bis(3,5-dimethylphenyl)-1,3-diaza-2,4-disilacyclobutane","","- C50 H108 Cl2 N2 Si12 -","- C50 H108 Cl2 N2 Si12 -","- C50 H108 Cl2 N2 Si12 -","1","0.5","","Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi","Access to a Stable Si2N2 Four-Membered Ring with Non-Kekulé Singlet Biradical Character from a Disilyne","Journal of the American Chemical Society","2011","133","","12478","12481","10.1021/ja2059846","","","0.71073","MoKα","","0.0402","0.0348","","","0.1006","0.1055","","","","","","1.031","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106594","7.9149","0.0002","13.8805","0.0003","18.1339","0.0004","89.619","0.001","82.083","0.001","88.743","0.001","1972.76","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H35 F12 N7 O5 -","- C41 H35 F12 N7 O5 -","- C82 H70 F24 N14 O10 -","2","1","","Jason R. Cox; Peter Müller; Timothy M. Swager","Interrupted Energy Transfer: Highly Selective Detection of Cyclic Ketones in the Vapor Phase","Journal of the American Chemical Society","2011","133","","12910","12913","10.1021/ja202277h","","","1.54178","CuKα","","0.0441","0.0397","","","0.1035","0.1078","","","","","","1.027","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106595","17.736","0.005","16.476","0.004","23.481","0.006","90","","112.082","0.004","90","","6358","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H67 B F24 N Ni P2 -","- C60 H67 B F24 N Ni P2 -","- C240 H268 B4 F96 N4 Ni4 P8 -","4","1","","Vlad M. Iluc; Alexander J. M. Miller; John S. Anderson; Marisa J. Monreal; Mark P. Mehn; Gregory L. Hillhouse","Synthesis and Characterization of Three-Coordinate Ni(III)-Imide Complexes","Journal of the American Chemical Society","2011","133","","13055","13063","10.1021/ja2024993","","","0.71073","MoKα","","0.0837","0.0717","","","0.1453","0.15","","","","","","1.236","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106596","14.2589","0.0012","13.0889","0.0011","39.706","0.003","90","","90.907","0.002","90","","7409.5","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H77 B F24 N Ni P2 -","- C74 H77 B F24 N Ni P2 -","- C296 H308 B4 F96 N4 Ni4 P8 -","4","1","","Vlad M. Iluc; Alexander J. M. Miller; John S. Anderson; Marisa J. Monreal; Mark P. Mehn; Gregory L. Hillhouse","Synthesis and Characterization of Three-Coordinate Ni(III)-Imide Complexes","Journal of the American Chemical Society","2011","133","","13055","13063","10.1021/ja2024993","","","0.71073","MoKα","","0.1241","0.0714","","","0.1251","0.1433","","","","","","0.972","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106597","16.616","0.0019","19.441","0.002","20.68","0.002","95.168","0.002","100.073","0.002","103.594","0.002","6332.7","1.2","373","2","373","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H68 B F24 N Ni P2 -","- C60 H68 B F24 N Ni P2 -","- C240 H272 B4 F96 N4 Ni4 P8 -","4","2","","Vlad M. Iluc; Alexander J. M. Miller; John S. Anderson; Marisa J. Monreal; Mark P. Mehn; Gregory L. Hillhouse","Synthesis and Characterization of Three-Coordinate Ni(III)-Imide Complexes","Journal of the American Chemical Society","2011","133","","13055","13063","10.1021/ja2024993","","","0.71073","MoKα","","0.1379","0.0981","","","0.2048","0.2238","","","","","","1.119","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106598","17.112","0.003","23.856","0.005","27.445","0.006","90","","90","","90","","11204","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Gross-33 (Jenny)","","","- C47.5 H15 Al Cl F15 I4 N6 -","- C49.5 H20 Al F15 I4 N6 -","- C396 H160 Al8 F120 I32 N48 -","8","1","","Jenya Vestfrid; Mark Botoshansky; Joshua H. Palmer; Alec C. Durrell; Harry B. Gray; Zeev Gross","Iodinated Aluminum(III) Corroles with Long-Lived Triplet Excited States","Journal of the American Chemical Society","2011","133","","12899","12901","10.1021/ja202692b","","","0.71073","MoKα","","0.1166","0.0612","","","0.1749","0.2003","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106599","15.553","0.0008","10.2067","0.0006","20.833","0.002","90","","103.417","0.007","90","","3216.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H43 N8 O2 -","- C34.5 H42 N8 O2 -","- C138 H168 N32 O8 -","4","1","","Frank W. Lewis; Laurence M. Harwood; Michael J. Hudson; Michael G. B. Drew; Jean F. Desreux; Geoffrey Vidick; Nouri Bouslimani; Giuseppe Modolo; Andreas Wilden; Michal Sypula; Trong-Hung Vu; Jean-Pierre Simonin","Highly Efficient Separation of Actinides from Lanthanides by a Phenanthroline-Derived Bis-triazine Ligand","Journal of the American Chemical Society","2011","133","","13093","13102","10.1021/ja203378m","","","0.71073","MoKα","","0.1276","0.0568","","","0.1203","0.1339","","","","","","0.87","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106600","13.5768","0.0008","15.342","0.001","20.5094","0.0013","106.114","0.006","100.566","0.005","98.556","0.005","3943.4","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H81 Eu2 N23 O19 -","- C70 H79 Eu2 N23 O19 -","- C140 H158 Eu4 N46 O38 -","2","1","","Frank W. Lewis; Laurence M. Harwood; Michael J. Hudson; Michael G. B. Drew; Jean F. Desreux; Geoffrey Vidick; Nouri Bouslimani; Giuseppe Modolo; Andreas Wilden; Michal Sypula; Trong-Hung Vu; Jean-Pierre Simonin","Highly Efficient Separation of Actinides from Lanthanides by a Phenanthroline-Derived Bis-triazine Ligand","Journal of the American Chemical Society","2011","133","","13093","13102","10.1021/ja203378m","","","0.71073","MoKα","","0.1399","0.0595","","","0.1088","0.1225","","","","","","0.83","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106601","26.6125","0.0009","12.1901","0.0004","21.7234","0.0007","90","","105.191","0.002","90","","6801","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ru2(D(3,5-Cl2)PhF)3NH(C13H6N2Cl4)(Hexane)","","","- C58 H42 Cl16 N9 Ru2 -","- C58 H42 Cl16 N9 Ru2 -","- C232 H168 Cl64 N36 Ru8 -","4","0.5","","Amanda Kae Musch Long; George H. Timmer; József S. Pap; Jamie Lynn Snyder; Renyuan Pony Yu; John F. Berry","Aryl C-H Amination by Diruthenium Nitrides in the Solid State and in Solution at Room Temperature: Experimental and Computational Study of the Reaction Mechanism","Journal of the American Chemical Society","2011","133","","13138","13150","10.1021/ja203993p","","","0.71073","MoKα","","0.0515","0.0455","","","0.1277","0.1331","","","","","","1.079","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106602","17.0829","0.0004","40.0431","0.0007","13.3183","0.0003","90","","90","","90","","9110.4","0.3","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H12 N6 O8 Ru Zn -","- C26 H12 N6 O8 Ru Zn -","- C208 H96 N48 O64 Ru8 Zn8 -","8","1","","Caleb A. Kent; Demin Liu; Liqing Ma; John M. Papanikolas; Thomas J. Meyer; Wenbin Lin","Light Harvesting in Microscale Metal-Organic Frameworks by Energy Migration and Interfacial Electron Transfer Quenching","Journal of the American Chemical Society","2011","133","","12940","12943","10.1021/ja204214t","","","1.54178","CuKα","","0.0838","0.0509","","","0.1232","0.1395","","","","","","0.722","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106603","16.105","0.0012","4.7876","0.0004","9.2686","0.0007","90","","90.024","0.004","90","","714.65","0.1","123","1","123","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C6 H8 O4 Zn -","- C6 H8 O4 Zn -","- C24 H32 O16 Zn4 -","4","1","","Stephan Klaus; Maximilian W. Lehenmeier; Eberhardt Herdtweck; Peter Deglmann; Anna K. Ott; Bernhard Rieger","Mechanistic Insights into Heterogeneous Zinc Dicarboxylates and Theoretical Considerations for CO2-Epoxide Copolymerization","Journal of the American Chemical Society","2011","133","","13151","13161","10.1021/ja204481w","","","0.71073","MoKα","","0.0171","0.017","","","0.0436","0.0437","","","","","","1.204","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106604","13.8911","0.00069","15.95423","0.00097","6.60176","0.00022","90","","91.6993","0.0041","90","","1462.45","0.12","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MIL53(Al).BDTA","","","- C14 H9 Al N O5 S2 -","- C14 H9 Al N O5 S2 -","- C56 H36 Al4 N4 O20 S8 -","4","1","","Storm V. Potts; Leonard J. Barbour; Delia A. Haynes; Jeremy M. Rawson; Gareth O. Lloyd","Inclusion of Thiazyl Radicals in Porous Crystalline Materials","Journal of the American Chemical Society","2011","133","","12948","12951","10.1021/ja204548d","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.05234","4.591","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106605","14.9544","0.002","15.0886","0.0018","6.64392","0.00039","90","","90.8914","0.0059","90","","1499","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MIL53(Al).MBDTA","","","- C15 H11 Al N O5 S2 -","- C15 H11 Al N O5 S2 -","- C60 H44 Al4 N4 O20 S8 -","4","1","","Storm V. Potts; Leonard J. Barbour; Delia A. Haynes; Jeremy M. Rawson; Gareth O. Lloyd","Inclusion of Thiazyl Radicals in Porous Crystalline Materials","Journal of the American Chemical Society","2011","133","","12948","12951","10.1021/ja204548d","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.1007","5.164","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106606","12.8319","0.0016","10.1506","0.0013","23.295","0.003","90","","101.167","0.002","90","","2976.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Cl3 N4 -","- C34 H27 Cl2.991 N4 -","- C136 H108 Cl11.964 N16 -","4","1","","Rajasekhar Reddy Naredla; Chong Zheng; Sten O. Nilsson Lill; Douglas A. Klumpp","Charge Delocalization and Enhanced Acidity in Tricationic Superelectrophiles","Journal of the American Chemical Society","2011","133","","13169","13175","10.1021/ja2046364","","","0.71073","MoKα","","0.1087","0.0994","","","0.1527","0.1562","","","","","","1.406","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106607","9.9836","0.001","23.795","0.002","17.0104","0.0016","90","","92.051","0.002","90","","4038.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N4 O0.5 -","- C27 H20 N4 O0.5 -","- C216 H160 N32 O4 -","8","2","","Rajasekhar Reddy Naredla; Chong Zheng; Sten O. Nilsson Lill; Douglas A. Klumpp","Charge Delocalization and Enhanced Acidity in Tricationic Superelectrophiles","Journal of the American Chemical Society","2011","133","","13169","13175","10.1021/ja2046364","","","0.71073","MoKα","","0.09","0.077","","","0.2311","0.2482","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106608","14.9326","0.0002","16.492","0.0002","22.6389","0.0003","90","","99.2182","0.0005","90","","5503.24","0.12","250","2","250","2","","","","","The sample was placed directly into the cool stream at 250 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 P Rh -","- C55 H49 B F24 P Rh -","- C220 H196 B4 F96 P4 Rh4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0849","0.0519","","","0.1275","0.1452","","","","","","1.024","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106609","14.8781","0.0001","16.4397","0.0002","22.5117","0.0002","90","","99.3793","0.0005","90","","5432.56","0.09","200","2","200","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (294.1\% @ 120 s/\%). The sample was cooled at 50 K/h to 200 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 P Rh -","- C55 H49 B F24 P Rh -","- C220 H196 B4 F96 P4 Rh4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0676","0.0453","","","0.1093","0.1216","","","","","","1.018","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106610","14.8333","0.0001","16.3871","0.0001","22.3871","0.0002","90","","99.5315","0.0004","90","","5366.61","0.07","150","2","150","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (294.1\% @ 120 s/\%). The sample was cooled at 50 K/h to 200 K. Data was collected at 200 K (294.1\% @ 120 s/\%). The sample was cooled at 50 K/h to 150 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 P Rh -","- C55 H49 B F24 P Rh -","- C220 H196 B4 F96 P4 Rh4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0509","0.0372","","","0.0909","0.0984","","","","","","1.022","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106611","14.797","0.0001","16.3421","0.0001","22.2778","0.0002","90","","99.6294","0.0004","90","","5311.18","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 P Rh -","- C55 H49 B F24 P Rh -","- C220 H196 B4 F96 P4 Rh4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0486","0.0339","","","0.0779","0.0843","","","","","","1.015","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106612","13.2923","0.0001","27.7709","0.0002","17.6139","0.0001","90","","94.9811","0.0003","90","","6477.42","0.08","150","2","150","2","","","","","The sample was placed directly into the cool stream at 150 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H59 B F26 Ir P -","- C67 H59 B F26 Ir P -","- C268 H236 B4 F104 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.035","0.0284","","","0.0673","0.0704","","","","","","1.037","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106613","14.7531","0.0001","16.4346","0.0001","22.5162","0.0002","90","","99.7112","0.0003","90","","5381.08","0.07","150","2","150","2","","","","","The sample was placed directly into the cool stream at 150 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0411","0.0287","","","0.0662","0.0715","","","","","","1.023","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106614","14.7572","0.0002","16.3685","0.0002","22.3728","0.0002","90","","99.9156","0.0005","90","","5323.5","0.11","100","2","100","2","","","","","The sample was placed directly into the cool stream at 150 K. Data was collected at 150 K (657.2\% @ 120 s/\%). The sample was then cooled at 100 K/h to 100 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0475","0.0317","","","0.0613","0.0666","","","","","","1.043","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106615","14.8328","0.0002","16.5004","0.0002","22.8358","0.0004","90","","99.3914","0.0005","90","","5514.09","0.14","250","2","250","2","","","","","The sample was placed directly into the cool stream at 250 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0961","0.0555","","","0.1475","0.1748","","","","","","1.025","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106616","14.7835","0.0001","16.4746","0.0002","22.6851","0.0003","90","","99.5354","0.0004","90","","5448.67","0.1","200","2","200","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 200 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0677","0.0432","","","0.1005","0.1125","","","","","","1.03","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106617","14.7593","0.0001","16.42","0.0002","22.522","0.0003","90","","99.7008","0.0004","90","","5380.11","0.1","150","2","150","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 200 K. Data was collected at 200 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 150 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0554","0.038","","","0.0865","0.095","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","178812","2020-10-21","18:00:00",""
"4106618","14.7448","0.0001","16.38","0.0002","22.3674","0.0003","90","","99.8502","0.0005","90","","5322.53","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0456","0.0331","","","0.0752","0.081","","","","","","1.018","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106619","14.8313","0.0003","16.51","0.0003","22.8482","0.0005","90","","99.4395","0.0007","90","","5518.96","0.19","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0972","0.0546","","","0.1275","0.1521","","","","","","1.02","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106620","14.8328","0.0002","16.5004","0.0002","22.8358","0.0004","90","","99.3914","0.0005","90","","5514.09","0.14","250","2","250","2","","","","","The sample was placed directly into the cool stream at 250 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0965","0.0558","","","0.1485","0.176","","","","","","1.025","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106621","14.7835","0.0001","16.4746","0.0002","22.6851","0.0003","90","","99.5354","0.0004","90","","5448.67","0.1","200","2","200","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 200 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0678","0.0433","","","0.1006","0.1126","","","","","","1.033","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106622","14.7593","0.0001","16.42","0.0002","22.522","0.0003","90","","99.7008","0.0004","90","","5380.11","0.1","150","2","150","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 200 K. Data was collected at 200 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 150 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0554","0.038","","","0.0864","0.0949","","","","","","1.012","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106623","14.7448","0.0001","16.38","0.0002","22.3674","0.0003","90","","99.8502","0.0005","90","","5322.53","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0455","0.0331","","","0.0749","0.0807","","","","","","1.016","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106624","11.4386","0.0007","12.7615","0.0008","16.3146","0.001","90","","100.44","0.001","90","","2342.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 P Si4 -","- C16 H40 P Si4 -","- C64 H160 P4 Si16 -","4","1","","Shintaro Ishida; Fumiya Hirakawa; Takeaki Iwamoto","A Stable Dialkylphosphinyl Radical","Journal of the American Chemical Society","2011","133","","12968","12971","10.1021/ja205001m","","","0.71073","MoKα","","0.0271","0.0246","","","0.0657","0.0684","","","","","","1.02","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106625","6.832","0.0006","21.5855","0.0018","16.0108","0.0014","90","","93.395","0.001","90","","2357","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 Cl P Si4 -","- C16 H40 Cl P Si4 -","- C64 H160 Cl4 P4 Si16 -","4","1","","Shintaro Ishida; Fumiya Hirakawa; Takeaki Iwamoto","A Stable Dialkylphosphinyl Radical","Journal of the American Chemical Society","2011","133","","12968","12971","10.1021/ja205001m","","","0.71073","MoKα","","0.0405","0.0386","","","0.0969","0.0981","","","","","","1.157","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106626","11.3757","0.0019","12.764","0.002","16.481","0.003","90","","100.954","0.002","90","","2349.4","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H41 P Si4 -","- C16 H41 P Si4 -","- C64 H164 P4 Si16 -","4","1","","Shintaro Ishida; Fumiya Hirakawa; Takeaki Iwamoto","A Stable Dialkylphosphinyl Radical","Journal of the American Chemical Society","2011","133","","12968","12971","10.1021/ja205001m","","","0.71073","MoKα","","0.0327","0.0291","","","0.0765","0.0805","","","","","","1.043","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106627","8.2364","0.0005","9.6818","0.0006","26.1298","0.0016","90","","90","","90","","2083.7","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","YMW-V-48B","toste43","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","","Yi-Ming Wang; Christian N. Kuzniewski; Vivek Rauniyar; Christina Hoong; F. Dean Toste","Chiral (Acyclic Diaminocarbene)Gold(I)-Catalyzed Dynamic Kinetic Asymmetric Transformation of Propargyl Esters","Journal of the American Chemical Society","2011","133","","12972","12975","10.1021/ja205068j","","","1.54178","CuKα","","0.0322","0.0313","","","0.0822","0.0834","","","","","","1.065","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4106628","11.3458","0.0003","25.4178","0.0008","20.5328","0.0006","90","","101.16","0.001","90","","5809.4","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","YMW-IV-179","toste39","","- C58 H54 Au2 Cl2 F6 N6 O3 -","- C58 H54 Au2 Cl2 F6 N6 O3 -","- C232 H216 Au8 Cl8 F24 N24 O12 -","4","2","","Yi-Ming Wang; Christian N. Kuzniewski; Vivek Rauniyar; Christina Hoong; F. Dean Toste","Chiral (Acyclic Diaminocarbene)Gold(I)-Catalyzed Dynamic Kinetic Asymmetric Transformation of Propargyl Esters","Journal of the American Chemical Society","2011","133","","12972","12975","10.1021/ja205068j","","","0.71073","MoKα","","0.0319","0.0289","","","0.0777","0.0791","","","","","","1.081","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4106629","8.5513","0.0006","22.4101","0.0016","32.205","0.003","82.629","0.003","85.393","0.003","79.455","0.003","6007","0.8","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H43 B O2 P2 Pd Si -","- C43 H43 B O2 P2 Pd Si -","- C258 H258 B6 O12 P12 Pd6 Si6 -","6","3","","Jun Takaya; Naohiro Kirai; Nobuharu Iwasawa","Efficient Synthesis of Diborylalkenes from Alkenes and Diboron by a New PSiP-Pincer Palladium-Catalyzed Dehydrogenative Borylation","Journal of the American Chemical Society","2011","133","","12980","12983","10.1021/ja205186k","","","0.71075","MoKα","","0.0784","0.0617","","","0.1542","0.1726","","","","","","1.074","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106630","16.8225","0.0014","18.5882","0.0015","24.389","0.002","90","","90","","90","","7626.4","1.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C82 H132 O2 Th2 -","- C82 H132 O2 Th2 -","- C328 H528 O8 Th8 -","4","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0704","0.0469","","","0.0834","0.0931","","","","","","0.958","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106631","17.0548","0.0014","17.0548","0.0014","12.2849","0.0012","90","","90","","120","","3094.5","0.5","150","2","150","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C47 H68 O2 Th -","- C47 H68 O2 Th -","- C141 H204 O6 Th3 -","3","0.5","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0347","0.0323","","","0.0522","0.0529","","","","","","0.978","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106632","10.8222","0.0014","12.0686","0.0014","16.1307","0.0019","96.32","0.002","102.403","0.002","101.971","0.002","1986.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H68 N2 O Th -","- C41 H68 N2 O Th -","- C82 H136 N4 O2 Th2 -","2","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0525","0.0426","","","0.0844","0.089","","","","","","1.002","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106633","11.6142","0.0008","16.9281","0.0012","20.2968","0.0013","90","","98.69","0.001","90","","3944.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H67 Cl O Si Th -","- C37 H67 Cl O Si Th -","- C148 H268 Cl4 O4 Si4 Th4 -","4","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0492","0.0325","","","0.0591","0.0639","","","","","","0.974","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106634","11.5414","0.001","17.3182","0.0014","20.2061","0.0017","90","","98.488","0.001","90","","3994.5","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H67 N O Si Th -","- C38 H67 N O Si Th -","- C152 H268 N4 O4 Si4 Th4 -","4","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0548","0.037","","","0.0738","0.0802","","","","","","0.995","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106635","10.281","0.005","10.986","0.005","21.757","0.013","102.819","0.012","91.689","0.013","115.728","0.008","2136.4","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H68 N S2 Th -","- C45 H68 N S2 Th -","- C90 H136 N2 S4 Th2 -","2","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0672","0.0508","","","0.0945","0.1016","","","","","","0.982","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106636","13.6037","0.0009","15.3141","0.001","24.7238","0.0013","90","","120.025","0.003","90","","4459.5","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 N2 S Th -","- C48 H70 N2 S Th -","- C192 H280 N8 S4 Th4 -","4","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0534","0.0314","","","0.0573","0.0632","","","","","","0.977","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106637","10.731","0.002","11.454","0.002","27.92","0.005","93.907","0.004","90.072","0.004","107.71","0.004","3260.6","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H116 S2 Th2 -","- C68 H116 S2 Th2 -","- C136 H232 S4 Th4 -","2","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0782","0.0501","","","0.0916","0.1037","","","","","","0.977","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106638","35.843","0.002","35.843","0.002","18.753","0.002","90","","90","","120","","20865","3","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C246 H384 S18 Th6 -","- C246 H384 S18 Th6 -","- C738 H1152 S54 Th18 -","3","0.166667","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0872","0.0451","","","0.0859","0.0921","","","","","","0.765","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106639","12.5002","0.0013","38.967","0.004","20.8519","0.0017","90","","110.937","0.005","90","","9486.2","1.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H74 Cl N S2 Si Th -","- C45 H74 Cl N S2 Si Th -","- C360 H592 Cl8 N8 S16 Si8 Th8 -","8","2","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.1057","0.0718","","","0.1287","0.139","","","","","","1.142","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106640","19.9667","0.0018","13.528","0.0012","19.2161","0.0017","90","","118.476","0.002","90","","4562.5","0.7","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H22 O16 Re4 Sb2 -","- C40 H22 O16 Re4 Sb2 -","- C160 H88 O64 Re16 Sb8 -","4","0.5","","Richard D. Adams; William C. Pearl; Yuen Onn Wong; Qiang Zhang; Michael B. Hall; Justin R. Walensky","Tetrarhena-heterocycle from the Palladium-Catalyzed Dimerization of Re2(CO)8(μ-SbPh2)(μ-H) Exhibits an Unusual Host-Guest Behavior","Journal of the American Chemical Society","2011","133","","12994","12997","10.1021/ja205515u","","","0.71073","MoKα","","0.034","0.0247","","","0.0465","0.0493","","","","","","1.044","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106641","10.8973","0.0015","11.0822","0.0015","22.043","0.003","94.339","0.002","91.57","0.003","114.493","0.002","2410.5","0.6","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H22 O16 P0 Pd2 Re4 Sb2 -","- C40 H22 O16 Pd2 Re4 Sb2 -","- C80 H44 O32 Pd4 Re8 Sb4 -","2","1","","Richard D. Adams; William C. Pearl; Yuen Onn Wong; Qiang Zhang; Michael B. Hall; Justin R. Walensky","Tetrarhena-heterocycle from the Palladium-Catalyzed Dimerization of Re2(CO)8(μ-SbPh2)(μ-H) Exhibits an Unusual Host-Guest Behavior","Journal of the American Chemical Society","2011","133","","12994","12997","10.1021/ja205515u","","","0.71073","MoKα","","0.1389","0.0667","","","0.1372","0.1664","","","","","","0.965","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106642","35.2421","0.0015","52.7954","0.0019","10.2274","0.0004","90","","90","","90","","19029.3","1.3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C43 H25 O16 Pd0.5 Re4 Sb2 -","- C43 H25 O16 Pd0.511 Re4 Sb2 -","- C688 H400 O256 Pd8.176 Re64 Sb32 -","16","1","","Richard D. Adams; William C. Pearl; Yuen Onn Wong; Qiang Zhang; Michael B. Hall; Justin R. Walensky","Tetrarhena-heterocycle from the Palladium-Catalyzed Dimerization of Re2(CO)8(μ-SbPh2)(μ-H) Exhibits an Unusual Host-Guest Behavior","Journal of the American Chemical Society","2011","133","","12994","12997","10.1021/ja205515u","","","0.71073","MoKα","","0.0446","0.0356","","","0.066","0.0692","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106643","6.1943","0.0007","11.4203","0.0013","15.7536","0.0018","90","","90","","90","","1114.4","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H19 B K N Si -","- C7 H19 B K N Si -","- C28 H76 B4 K4 N4 Si4 -","4","1","","Wei Luo; Lev N. Zakharov; Shih-Yuan Liu","1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity","Journal of the American Chemical Society","2011","133","","13006","13009","10.1021/ja206497x","","","0.71073","MoKα","","0.0272","0.0253","","","0.0624","0.0636","","","","","","1.064","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106644","15.3393","0.0011","9.7577","0.0007","17.4261","0.0013","90","","98.999","0.001","90","","2576.2","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H43 B K N O6 Si -","- C19 H43 B K N O6 Si -","- C76 H172 B4 K4 N4 O24 Si4 -","4","1","","Wei Luo; Lev N. Zakharov; Shih-Yuan Liu","1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity","Journal of the American Chemical Society","2011","133","","13006","13009","10.1021/ja206497x","","","0.71073","MoKα","","0.0522","0.0408","","","0.098","0.1061","","","","","","1.055","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106645","5.3364","0.0004","5.5873","0.0005","9.8555","0.0008","81.328","0.001","85.847","0.001","74.013","0.001","279.11","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H12 B N -","- C4 H12 B N -","- C8 H24 B2 N2 -","2","1","","Wei Luo; Lev N. Zakharov; Shih-Yuan Liu","1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity","Journal of the American Chemical Society","2011","133","","13006","13009","10.1021/ja206497x","","","0.71073","MoKα","","0.0419","0.0401","","","0.1141","0.1168","","","","","","1.085","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106646","10.2172","0.0015","17.694","0.003","15.24","0.002","90","","94.914","0.003","90","","2745","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 B3 N3 -","- C12 H24 B3 N3 -","- C96 H192 B24 N24 -","8","1","","Wei Luo; Lev N. Zakharov; Shih-Yuan Liu","1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity","Journal of the American Chemical Society","2011","133","","13006","13009","10.1021/ja206497x","","","0.71073","MoKα","","0.0956","0.0773","","","0.2144","0.2329","","","","","","1.056","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106647","8.961","0.003","9.259","0.003","12.207","0.004","77.131","0.004","81.294","0.004","73.893","0.004","944.3","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N3 O5 -","- C20 H25 N3 O5 -","- C40 H50 N6 O10 -","2","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0456","0.0391","","","0.1014","0.1064","","","","","","1.045","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106648","10.0906","0.0017","10.702","0.002","19.365","0.003","94.622","0.006","104.715","0.006","95.703","0.007","2000.4","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","- C80 H92 N12 O28 -","4","2","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0688","0.0585","","","0.125","0.1306","","","","","","1.119","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106649","7.5943","0.0007","14.3844","0.0014","14.7836","0.0014","77.337","0.001","84.962","0.001","81.67","0.002","1556.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C64 H68 N12 O20 -","4","2","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0482","0.0402","","","0.106","0.1112","","","","","","1.046","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106650","10.019","0.002","11.019","0.002","12.228","0.002","82.353","0.017","80.257","0.015","67.002","0.011","1221.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","- C40 H46 N6 O14 -","2","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0845","0.0752","","","0.2072","0.2138","","","","","","1.119","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106651","11.759","0.002","23.045","0.004","7.7057","0.0014","90","","107.406","0.002","90","","1992.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","- C80 H92 N12 O28 -","4","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0619","0.044","","","0.1116","0.1219","","","","","","1.055","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106652","8.3908","0.0014","9.8594","0.0015","10.8783","0.0017","65.913","0.008","75.686","0.011","75.628","0.011","785","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C32 H34 N6 O10 -","2","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0631","0.0559","","","0.1227","0.1274","","","","","","1.124","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106653","22.975","0.004","12.4694","0.0016","7.5472","0.0011","90","","90","","90","","2162.2","0.6","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H25 Br N2 O5 -","- C22 H25 Br N2 O5 -","- C88 H100 Br4 N8 O20 -","4","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","1.54186","CuKα","","0.0374","0.034","","","0.0798","0.0826","","","","","","1.081","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106654","23.002","0.002","7.7747","0.0008","25.097","0.003","90","","90","","90","","4488.2","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C192 H232 N24 O48 -","8","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","1.54186","CuKα","","0.0499","0.0433","","","0.1032","0.1067","","","","","","1.091","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106655","6.9086","0.0018","12.855","0.003","24.098","0.007","90","","92.903","0.003","90","","2137.4","1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O7 -","- C22 H25 N3 O7 -","- C88 H100 N12 O28 -","4","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0737","0.0689","","","0.1503","0.1533","","","","","","1.152","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106656","18.589","0.011","11.132","0.007","9.737","0.006","90","","104.105","0.008","90","","1954","2","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O -","- C22 H28 N2 O -","- C88 H112 N8 O4 -","4","1","","Ming-Tian Zhang; Tania Irebo; Olof Johansson; Leif Hammarström","Proton-Coupled Electron Transfer from Tyrosine: A Strong Rate Dependence on Intramolecular Proton Transfer Distance","Journal of the American Chemical Society","2011","133","","13224","13227","10.1021/ja203483j","","","0.71073","MoKα","","0.2086","0.1015","","","0.2771","0.3199","","","","","","1.031","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106657","10.8463","0.0016","12.4881","0.0019","20.328","0.004","76.245","0.007","80.117","0.008","64.878","0.006","2413.6","0.7","103.15","","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H95 Cl9 N6 O18 S6 -","- C93 H92 Cl9 N6 O18 S6 -","- C93 H92 Cl9 N6 O18 S6 -","1","0.5","","Takuma Yasuda; Tomohiro Shimizu; Feng Liu; Goran Ungar; Takashi Kato","Electro-Functional Octupolar π-Conjugated Columnar Liquid Crystals","Journal of the American Chemical Society","2011","133","","13437","13444","10.1021/ja2035255","","","0.7107","MoKα","","0.0531","0.0458","","","0.1057","0.1109","","","","","","1.061","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106658","16.4887","0.0006","7.1507","0.0003","14.5744","0.0006","90","","101.336","0.001","90","","1684.88","0.12","100","","100","","","","","","","","diethylether","5","C 1 2 1","C 2y","5","","","","- C16 H17 Cl N2 O6 -","- C16 H17 Cl N2 O6 -","- C64 H68 Cl4 N8 O24 -","4","1","","Volker Hickmann; Azusa Kondoh; Barbara Gabor; Manuel Alcarazo; Alois Fürstner","Catalysis-Based and Protecting-Group-Free Total Syntheses of the Marine Oxylipins Hybridalactone and the Ecklonialactones A, B, and C","Journal of the American Chemical Society","2011","133","","13471","13480","10.1021/ja204027a","","","1.54178","Cu-Kα","","0.0281","0.0267","","","0.0594","0.0598","","","","","","1.083","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106659","9.175","0.005","8.368","0.005","14.289","0.005","90","0.005","100.801","0.005","90","0.005","1077.6","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Br N O6 -","- C22 H22 Br N O6 -","- C44 H44 Br2 N2 O12 -","2","1","","Long He; Xiao-Hua Chen; De-Nan Wang; Shi-Wei Luo; Wen-Quan Zhang; Jie Yu; Lei Ren; Liu-Zhu Gong","Binaphthol-Derived Bisphosphoric Acids Serve as Efficient Organocatalysts for Highly Enantioselective 1,3-Dipolar Cycloaddition of Azomethine Ylides to Electron-Deficient Olefins","Journal of the American Chemical Society","2011","133","","13504","13518","10.1021/ja204218h","","","1.54184","CuKα","","0.0253","0.0247","","","0.0583","0.0586","","","","","","1","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106660","11.336","0.0015","6.2113","0.0007","15.8921","0.0019","90","","100.095","0.013","90","","1101.7","0.2","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl N O8 -","- C20 H24 Cl N O8 -","- C40 H48 Cl2 N2 O16 -","2","1","","Long He; Xiao-Hua Chen; De-Nan Wang; Shi-Wei Luo; Wen-Quan Zhang; Jie Yu; Lei Ren; Liu-Zhu Gong","Binaphthol-Derived Bisphosphoric Acids Serve as Efficient Organocatalysts for Highly Enantioselective 1,3-Dipolar Cycloaddition of Azomethine Ylides to Electron-Deficient Olefins","Journal of the American Chemical Society","2011","133","","13504","13518","10.1021/ja204218h","","","1.54184","CuKα","","0.0718","0.0386","","","0.0888","0.1264","","","","","","1.072","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106661","12.6724","0.0006","5.5879","0.0003","14.6076","0.0006","90","","110.988","0.005","90","","965.77","0.09","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O5 -","- C18 H22 Cl N O5 -","- C36 H44 Cl2 N2 O10 -","2","1","","Long He; Xiao-Hua Chen; De-Nan Wang; Shi-Wei Luo; Wen-Quan Zhang; Jie Yu; Lei Ren; Liu-Zhu Gong","Binaphthol-Derived Bisphosphoric Acids Serve as Efficient Organocatalysts for Highly Enantioselective 1,3-Dipolar Cycloaddition of Azomethine Ylides to Electron-Deficient Olefins","Journal of the American Chemical Society","2011","133","","13504","13518","10.1021/ja204218h","","","1.54184","CuKα","","0.055","0.0471","","","0.0984","0.1047","","","","","","1.012","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106662","10.9465","0.0016","28.851","0.005","32.054","0.005","90","","94.241","0.007","90","","10095","3","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C99 H115 B2 Cl3 N10 O11 Ru2 -","- C98 H114 B2 N10 O11 Ru2 -","- C392 H456 B8 N40 O44 Ru8 -","4","1","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Electronic Structure Investigations of Neutral and Charged Ruthenium Bis(β-diketonate) Complexes of Redox-Active Verdazyl Radicals","Journal of the American Chemical Society","2011","133","","13587","13603","10.1021/ja204575u","","","0.71069","MoKα","","0.0644","0.046","","","0.0894","0.0948","","","","","","1.002","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106663","9.8754","0.0014","18.263","0.003","18.489","0.003","96.479","0.008","103.164","0.007","90.168","0.007","3224.8","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H20 B F16 N5 O5 Ru -","- C23 H20 B F16 N5 O5 Ru -","- C92 H80 B4 F64 N20 O20 Ru4 -","4","2","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Electronic Structure Investigations of Neutral and Charged Ruthenium Bis(β-diketonate) Complexes of Redox-Active Verdazyl Radicals","Journal of the American Chemical Society","2011","133","","13587","13603","10.1021/ja204575u","","","0.71073","MoKα","","0.0617","0.0435","","","0.1104","0.1248","","","","","","1.082","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106664","10.6135","0.0003","12.8879","0.0004","14.7751","0.0004","80.475","0.001","87.429","0.001","83.043","0.001","1977.85","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H30 Co F12 N5 O5 Ru -","- C33 H30 Co F12 N5 O5 Ru -","- C66 H60 Co2 F24 N10 O10 Ru2 -","2","1","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Electronic Structure Investigations of Neutral and Charged Ruthenium Bis(β-diketonate) Complexes of Redox-Active Verdazyl Radicals","Journal of the American Chemical Society","2011","133","","13587","13603","10.1021/ja204575u","","","0.71073","MoKα","","0.0456","0.033","","","0.0935","0.1056","","","","","","1.112","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106665","40.1663","0.0007","10.0105","0.00018","18.0352","0.0013","90","","99.864","0.007","90","","7144.5","0.6","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H31 Co Fe N12 O4.5 -","- C36 H31 Co Fe N12 O4.5 -","- C288 H248 Co8 Fe8 N96 O36 -","8","1","","Gözde Ulas; Gary W. Brudvig","Redirecting Electron Transfer in Photosystem II from Water to Redox-Active Metal Complexes","Journal of the American Chemical Society","2011","133","","13260","13263","10.1021/ja2049226","","","1.54187","CuKα","","","0.0377","","","","0.0996","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106666","24.7961","0.0016","11.9905","0.0008","21.8533","0.0014","90","","104.655","0.001","90","","6286","0.7","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C68 H90 Cr2 O9 -","- C68 H90 Cr2 O9 -","- C272 H360 Cr8 O36 -","4","0.5","","Matthew E. O'Reilly; Trevor J. Del Castillo; Joseph M. Falkowski; Vasanth Ramachandran; Mekhala Pati; Marie C. Correia; Khalil A. Abboud; Naresh S. Dalal; David E. Richardson; Adam S. Veige","Autocatalytic O2 Cleavage by an OCO3-Trianionic Pincer CrIII Complex: Isolation and Characterization of the Autocatalytic Intermediate [CrIV]2(μ-O) Dimer","Journal of the American Chemical Society","2011","133","","13661","13673","10.1021/ja2050474","","","0.71073","MoKα","","0.0849","0.0518","","","0.1227","0.1345","","","","","","0.989","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106667","32.3941","0.0019","47.504","0.003","36.205","0.002","90","","104.098","0.002","90","","54036","6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C212 H216 B8 F32 Fe4 N44 O40 -","- C192 H155.5 Fe4 N24 -","- C1536 H1244 Fe32 N192 -","8","2","","Wenjing Meng; Jack K. Clegg; John D. Thoburn; Jonathan R. Nitschke","Controlling the Transmission of Stereochemical Information through Space in Terphenyl-Edged Fe4L6 Cages","Journal of the American Chemical Society","2011","133","","13652","13660","10.1021/ja205254s","","","0.71073","MoKα","","0.1809","0.1354","","","0.3483","0.3726","","","","","","1.176","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106668","29.665","0.0011","12.69","0.0005","15.048","0.0005","90","","96.166","0.0017","90","","5632","0.4","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 Cl2 N3 O3 Re -","- C27 H38 Cl2 N3 O3 Re -","- C216 H304 Cl16 N24 O24 Re8 -","8","1","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0633","0.0319","","","0.0611","0.0689","","","","","","1.038","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106669","15.2121","0.0006","13.224","0.0005","21.2579","0.0009","90","","90","","90","","4276.3","0.3","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H14 F10 N3 O2 Re -","- C19 H14 F10 N3 O2 Re -","- C152 H112 F80 N24 O16 Re8 -","8","1","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0663","0.0318","","","0.0617","0.072","","","","","","1.028","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106670","7.5547","0.0003","17.9801","0.0006","8.141","0.0003","90","","96.036","0.002","90","","1099.7","0.07","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H14 F10 N3 O3 Re -","- C20 H14 F10 N3 O3 Re -","- C40 H28 F20 N6 O6 Re2 -","2","1","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0508","0.0352","","","0.0491","0.0527","","","","","","0.978","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106671","6.7185","0.0004","11.1467","0.0007","14.5891","0.0009","79.979","0.003","77.514","0.003","89.983","0.003","1049.66","0.11","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 F10 N3 O3 Re -","- C19 H14 F10 N3 O3 Re -","- C38 H28 F20 N6 O6 Re2 -","2","1","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0363","0.027","","","0.0503","0.0522","","","","","","1.067","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106672","16.0653","0.0008","15.0897","0.0007","23.972","0.0011","90","","96.86","0.003","90","","5769.7","0.5","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H43 Cl N3 O2 Re -","- C28 H43 Cl N3 O2 Re -","- C224 H344 Cl8 N24 O16 Re8 -","8","2","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0899","0.0408","","","0.0842","0.1006","","","","","","1.072","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106673","10.7895","0.0005","10.7895","0.0005","72.85","0.007","90","","90","","120","","7344.5","0.9","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C52 H78 N8 O2 -","- C52 H78 N8 O2 -","- C312 H468 N48 O12 -","6","1","","Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng","Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones","Journal of the American Chemical Society","2011","133","","13761","13761","10.1021/ja205501q","","","0.71073","MoKα","","0.0858","0.083","","","0.2018","0.2034","","","","","","1.24","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106674","17.7379","0.0011","11.9358","0.0007","11.4315","0.001","90","","90.061","0.009","90","","2420.2","0.3","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H45 Li N4 Zn -","- C19 H45 Li N4 Zn -","- C76 H180 Li4 N16 Zn4 -","4","1","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","1.5418","CuKα","","0.082","0.0541","","","0.1206","0.1289","","","","","","1.061","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106675","8.7028","0.0006","10.0294","0.0007","11.2396","0.0007","82.577","0.005","78.661","0.006","81.212","0.006","945.6","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H70 Li2 N4 O2 Zn2 -","- C32 H70 Li2 N4 O2 Zn2 -","- C32 H70 Li2 N4 O2 Zn2 -","1","0.5","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","0.71073","MoKα","","0.0754","0.0448","","","0.0771","0.0834","","","","","","0.99","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106676","10.0019","0.0002","15.417","0.0005","20.577","0.0006","90","","96.674","0.002","90","","3151.46","0.15","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H60 Li2 N6 Zn -","- C24 H60 Li2 N6 Zn -","- C96 H240 Li8 N24 Zn4 -","4","1","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","0.71073","MoKα","","0.0863","0.0458","","","0.091","0.0978","","","","","","0.909","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106677","19.7144","0.0014","9.2884","0.0006","20.2438","0.0014","90","","94.958","0.006","90","","3693.1","0.4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H68 Li4 N8 -","- C28 H68 Li4 N8 -","- C112 H272 Li16 N32 -","4","0.5","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","0.71073","MoKα","","0.0907","0.0523","","","0.1418","0.1519","","","","","","0.965","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106678","9.6661","0.0003","9.8248","0.0005","15.2836","0.0007","81.497","0.004","88.765","0.003","84.978","0.003","1429.93","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H49 N2 Na O3 Zn -","- C24 H49 N2 Na O3 Zn -","- C48 H98 N4 Na2 O6 Zn2 -","2","1","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","1.5418","CuKα","","0.0611","0.0582","","","0.1663","0.1701","","","","","","1.061","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106679","14.0362","0.0012","19.075","0.0014","18.1701","0.0014","90","","93.665","0.007","90","","4854.9","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.25 H91.25 N8 Na2 Zn2 -","- C38.25 H91.25 N8 Na2 Zn2 -","- C153 H365 N32 Na8 Zn8 -","4","1","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","1.5418","CuKα","","0.1111","0.0605","","","0.1422","0.1515","","","","","","0.944","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106680","30.803","0.001","30.803","0.001","30.803","0.001","90","","90","","90","","29226.7","1.6","293","2","293","2","","","","","","","synthesis as described","6","P m -3 m","-P 4 2 3","221","","","","- C336 H240 F48 N48 O24 Pt12 -","- C336 H240 F48.32 N48 O24 Pt12 -","- C336 H240 F48.32 N48 O24 Pt12 -","1","0.0208333","","Daishi Fujita; Asana Takahashi; Sota Sato; Makoto Fujita","Self-Assembly of Pt(II) Spherical Complexes via Temporary Labilization of the Metal-Ligand Association in 2,2,2-Trifluoroethanol","Journal of the American Chemical Society","2011","133","","13317","13319","10.1021/ja2059236","","x-ray","0.75","synchrotron","","0.1411","0.1081","","","0.3217","0.3409","","","","","","1.24","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106681","8.1756","0.0005","19.3065","0.0013","8.7629","0.0006","90","","114.448","0.001","90","","1259.14","0.14","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cu2 N8 O8 -","- C20 H24 Cu2 N8 O8 -","- C40 H48 Cu4 N16 O16 -","2","0.5","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0224","0.0206","","","0.0571","0.0581","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106682","8.0771","0.0011","19.731","0.003","17.378","0.002","90","","92.421","0.002","90","","2767","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Cu2 N8 O8 -","- C22 H28 Cu2 N8 O8 -","- C88 H112 Cu8 N32 O32 -","4","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.061","0.0528","","","0.1299","0.1348","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106683","8.6638","0.0004","12.9337","0.0007","18.688","0.001","90","","90","","90","","2094.08","0.19","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cu N6 O4 -","- C6 H8 Cu N6 O4 -","- C48 H64 Cu8 N48 O32 -","8","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0219","0.0202","","","0.0541","0.0552","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106684","11.3067","0.0018","9.8359","0.0018","17.993","0.003","90","","93.869","0.003","90","","1996.5","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 Cu2 O6 -","- C6 H12 Cu2 O6 -","- C48 H96 Cu16 O48 -","8","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0859","0.0531","","","0.1245","0.1438","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106685","11.6811","0.0007","15.1266","0.0009","23.7925","0.0014","81.496","0.001","88.231","0.001","77.396","0.001","4057.6","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H102 Cu14 O8 -","- C68 H102 Cu14 O8 -","- C136 H204 Cu28 O16 -","2","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0427","0.0303","","","0.0681","0.0722","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106686","10.8256","0.0005","10.8722","0.0005","11.1507","0.0005","90","","117.48","","90","","1164.34","0.09","153","2","153","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 -","- C12 H18 -","- C48 H72 -","4","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0623","0.0555","","","0.165","0.1729","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106687","11.905","0.0017","14.3684","0.0019","11.905","0.0017","90","","117.48","","90","","1806.7","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H42 Cr0 N2 O23 S4 V6 -","- C16 H42 N2 O23 S4 V6 -","- C32 H84 N4 O46 S8 V12 -","2","0.5","","Dong Li; Jie Song; Panchao Yin; Silas Simotwo; Andrew J. Bassler; YuYu Aung; James E. Roberts; Kenneth I. Hardcastle; Craig L. Hill; Tianbo Liu","Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled Fluorescent Properties","Journal of the American Chemical Society","2011","133","","14010","14016","10.1021/ja204034g","","","0.71073","MoKα","","0.1175","0.0781","","","0.169","0.1885","","","","","","1.022","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106688","20.8395","0.0007","23.0194","0.0007","24.8572","0.0008","90","","90","","90","","11924.3","0.7","173","2","173","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C40 H88 N4 O19 V6 -","- C40 H88 N4 O19 V6 -","- C320 H704 N32 O152 V48 -","8","0.5","","Dong Li; Jie Song; Panchao Yin; Silas Simotwo; Andrew J. Bassler; YuYu Aung; James E. Roberts; Kenneth I. Hardcastle; Craig L. Hill; Tianbo Liu","Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled Fluorescent Properties","Journal of the American Chemical Society","2011","133","","14010","14016","10.1021/ja204034g","","","0.71073","MoKα","","0.0599","0.0418","","","0.1056","0.1137","","","","","","1.027","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106689","37.7321","0.0012","18.0806","0.0005","24.034","0.0008","90","","109.719","0.002","90","","15434.9","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H103 N4.5 O22.5 V6 -","- C75 H103 N4.5 O22.5 V6 -","- C600 H824 N36 O180 V48 -","8","1","","Dong Li; Jie Song; Panchao Yin; Silas Simotwo; Andrew J. Bassler; YuYu Aung; James E. Roberts; Kenneth I. Hardcastle; Craig L. Hill; Tianbo Liu","Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled Fluorescent Properties","Journal of the American Chemical Society","2011","133","","14010","14016","10.1021/ja204034g","","","0.71073","MoKα","","0.2225","0.0867","","","0.2193","0.2803","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106690","13.0968","0.0006","14.0641","0.0007","23.0032","0.0011","90","","90","","90","","4237.1","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 O2 P2 Ru -","- C56 H42 O2 P2 Ru -","- C224 H168 O8 P8 Ru4 -","4","1","","Johanna M. Blacquiere; Carolyn S. Higman; Robert McDonald; Deryn E. Fogg","A Reactive Ru-Binaphtholate Building Block with Self-Tuning Hapticity","Journal of the American Chemical Society","2011","133","","14054","14062","10.1021/ja204767a","","","0.71073","MoKα","","0.0337","0.0268","","","0.0535","0.0561","","","","","","1.027","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106691","13.1015","0.0005","13.4592","0.0005","28.5044","0.001","90","","90","","90","","5026.3","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H53 N O3 P2 Ru -","- C62 H53 N O3 P2 Ru -","- C248 H212 N4 O12 P8 Ru4 -","4","1","","Johanna M. Blacquiere; Carolyn S. Higman; Robert McDonald; Deryn E. Fogg","A Reactive Ru-Binaphtholate Building Block with Self-Tuning Hapticity","Journal of the American Chemical Society","2011","133","","14054","14062","10.1021/ja204767a","","","0.71073","MoKα","","0.0593","0.038","","","0.0728","0.0812","","","","","","1.023","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106692","18.0557","0.0004","19.4773","0.0005","12.7568","0.0003","90","","90","","90","","4486.26","0.19","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C53 H49 N2 O3.25 P Ru -","- C53 H49 N2 O3.25 P Ru -","- C212 H196 N8 O13 P4 Ru4 -","4","1","","Johanna M. Blacquiere; Carolyn S. Higman; Robert McDonald; Deryn E. Fogg","A Reactive Ru-Binaphtholate Building Block with Self-Tuning Hapticity","Journal of the American Chemical Society","2011","133","","14054","14062","10.1021/ja204767a","","","0.71073","MoKα","","0.0331","0.0316","","","0.0969","0.0985","","","","","","1.083","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106693","19.3461","0.0006","8.9264","0.0003","24.7549","0.0008","90","","105.939","0.002","90","","4110.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C97 H110 Cl2 N4 -","- C96 H108 N4 -","- C192 H216 N8 -","2","1","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.0956","0.0877","","","0.2382","0.2442","","","","","","1.063","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106694","19.4024","0.0007","8.9759","0.0003","24.5083","0.0007","90","","106.389","0.003","90","","4094.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C97 H112 N4 O -","- C96 H108 N4 -","- C192 H216 N8 -","2","1","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.1302","0.0891","","","0.2339","0.2609","","","","","","0.977","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106695","42.96","0.017","9.082","0.004","24.092","0.01","90","","105.579","0.011","90","","9054","7","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C98 H112 Cl4 N4 -","- C96 H108 N4 -","- C384 H432 N16 -","4","0.5","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","0.71073","MoKα","","0.1261","0.0567","","","0.1349","0.1564","","","","","","0.903","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106696","19.277","0.003","48.012","0.007","10.382","0.002","90","","122.58","","90","","8097","2","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C100 H116 N4 -","- C100 H116 N4 -","- C400 H464 N16 -","4","1","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.0474","0.0436","","","0.1126","0.1152","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106697","9.0398","0.0009","14.0715","0.0013","14.9754","0.0014","68.419","0.003","77.031","0.003","73.791","0.004","1685.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H80 Cl4 N4 -","- C82 H80 Cl4 N4 -","- C82 H80 Cl4 N4 -","1","0.5","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","0.71073","MoKα","","0.0709","0.0531","","","0.1431","0.1552","","","","","","1.045","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106698","9.2308","0.0004","13.2487","0.0006","15.2331","0.0007","68.242","0.002","74.84","0.002","75.25","0.002","1643.98","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H80 Cl2 N4 -","- C82 H80 Cl2 N4 -","- C82 H80 Cl2 N4 -","1","0.5","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.0525","0.0484","","","0.134","0.1383","","","","","","1.043","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106699","9.6728","0.0002","12.2684","0.0002","15.8148","0.0003","95.993","0.001","98.72","0.001","102.365","0.001","1793.72","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C92 H100 N4 -","- C92 H100 N4 -","- C92 H100 N4 -","1","0.5","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.1279","0.0952","","","0.2565","0.2814","","","","","","1.05","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106700","14.2975","0.0013","7.2035","0.0007","9.9433","0.0009","90","","101.939","0.004","90","","1001.93","0.16","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl N -","- C8 H18 Cl N -","- C32 H72 Cl4 N4 -","4","1","","Jun Wang; Chunlong Ma; Yibing Wu; Robert A. Lamb; Lawrence H. Pinto; William F. DeGrado","Exploring Organosilane Amines as Potent Inhibitors and Structural Probes of Influenza A Virus M2 Proton Channel","Journal of the American Chemical Society","2011","133","","13844","13847","10.1021/ja2050666","","","0.71073","MoKα","","0.0318","0.0274","","","0.0724","0.078","","","","","","1.09","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106701","6.1466","0.0003","29.0217","0.0017","6.3483","0.0003","90","","109.534","0.002","90","","1067.26","0.1","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H18 Cl N Si -","- C7 H18 Cl N Si -","- C28 H72 Cl4 N4 Si4 -","4","1","","Jun Wang; Chunlong Ma; Yibing Wu; Robert A. Lamb; Lawrence H. Pinto; William F. DeGrado","Exploring Organosilane Amines as Potent Inhibitors and Structural Probes of Influenza A Virus M2 Proton Channel","Journal of the American Chemical Society","2011","133","","13844","13847","10.1021/ja2050666","","","0.71073","MoKα","","0.071","0.0674","","","0.1513","0.1526","","","","","","1.268","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106702","8.2905","0.0003","10.0263","0.0003","23.1917","0.0008","90","","90","","90","","1927.76","0.11","100","","100","","","","","","","","LOC ETH Zurich","6","P b c a","-P 2ac 2ab","61","","2-fluoro-4,5-dimethyl-2-phenyl-1,3,4,2-dioxazaborol-4-ium-2-uide","","- C9 H11 B F N O2 -","- C9 H11 B F N O2 -","- C72 H88 B8 F8 N8 O16 -","8","1","","Cam-Van T. Vo; T. Andrew Mitchell; Jeffrey W. Bode","Expanded Substrate Scope and Improved Reactivity of Ether-Forming Cross-Coupling Reactions of Organotrifluoroborates and Acetals","Journal of the American Chemical Society","2011","133","","14082","14089","10.1021/ja205174c","","","0.71073","MoKα","","0.0563","0.0412","","","0.1231","0.1441","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106703","10.967","0.002","16.718","0.003","12.659","0.003","90","","91.286","0.005","90","","2320.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 Fe6 N18 O6 -","- C46 H48 Fe6 N18 O6 -","- C92 H96 Fe12 N36 O12 -","2","0.5","","T. David Harris; Theodore A. Betley","Multi-Site Reactivity: Reduction of Six Equivalents of Nitrite To Give an Fe6(NO)6 Cluster with a Dramatically Expanded Octahedral Core","Journal of the American Chemical Society","2011","133","","13852","13855","10.1021/ja2052655","","","0.71073","MoKα","","0.1315","0.0558","","","0.0893","0.1121","","","","","","0.984","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106704","13.0992","0.0019","13.669","0.002","24.162","0.003","90","","94.322","0.002","90","","4314","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C79 H121.5 Fe6 N20.5 O12 -","- C79 H121.5 Fe6 N20.5 O12 -","- C158 H243 Fe12 N41 O24 -","2","0.5","","T. David Harris; Theodore A. Betley","Multi-Site Reactivity: Reduction of Six Equivalents of Nitrite To Give an Fe6(NO)6 Cluster with a Dramatically Expanded Octahedral Core","Journal of the American Chemical Society","2011","133","","13852","13855","10.1021/ja2052655","","","0.71073","MoKα","","0.1746","0.0996","","","0.2239","0.2609","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106705","5.7685","0.0003","10.6003","0.0005","12.1274","0.0006","90","","94.518","0.002","90","","739.26","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C42 H32 O6 -","2","1","","James A. Birrell; Jean-Nicolas Desrosiers; Eric N. Jacobsen","Enantioselective Acylation of Silyl Ketene Acetals through Fluoride Anion-Binding Catalysis","Journal of the American Chemical Society","2011","133","","13872","13875","10.1021/ja205602j","","","1.54178","CuKα","","0.0218","0.0217","","","0.0563","0.0564","","","","","","1.047","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106706","11.003","0.002","13.965","0.003","21.741","0.004","90","","90.25","0.03","90","","3340.6","1.1","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H85 Au2 N P2 -","- C72 H82 Au2 N P2 -","- C144 H164 Au4 N2 P4 -","2","0.5","","Wei Lu; Wai-Ming Kwok; Chensheng Ma; Chris Tsz-Leung Chan; Ming-Xin Zhu; Chi-Ming Che","Organic Triplet Excited States of Gold(I) Complexes with Oligo(o- orm-phenyleneethynylene) Ligands: Conjunction of Steady-State and Time-Resolved Spectroscopic Studies on Exciton Delocalization and Emission Pathways","Journal of the American Chemical Society","2011","133","","14120","14135","10.1021/ja205831v","","","0.71073","MoKα","","0.0565","0.0395","","","0.1023","0.1072","","","","","","0.966","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106707","18.1581","0.0002","15.6513","0.0002","19.1011","0.0002","90","","107.021","0.0004","90","","5190.71","0.1","120","2","120","2","","","","","","","Marco Wenzel","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H54 F15 N9 O3 S3 -","- C43 H54 F15 N9 O3 S3 -","- C172 H216 F60 N36 O12 S12 -","4","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.1197","0.1073","","","0.2222","0.23","","","","","","1.054","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4106708","9.4003","0.0003","12.4017","0.0003","12.7967","0.0004","85.417","0.002","70.634","0.002","72.182","0.002","1339.53","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 F3 N7 O3 -","- C27 H30 F3 N7 O3 -","- C54 H60 F6 N14 O6 -","2","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0662","0.0507","","","0.0978","0.1065","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106709","7.7351","0.0015","18.62","0.004","20.778","0.004","108.11","0.03","90.13","0.03","95.55","0.03","2829.4","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 F3 N7 S3 -","- C27 H30 F3 N7 S3 -","- C108 H120 F12 N28 S12 -","4","2","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0846","0.0638","","","0.1414","0.1559","","","","","","1.083","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106710","9.4376","0.0001","24.647","0.0002","15.5593","0.0002","90","","91.717","0.001","90","","3617.6","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 F9 N7 O S3 -","- C32 H36 F9 N7 O S3 -","- C128 H144 F36 N28 O4 S12 -","4","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0537","0.0444","","","0.112","0.1178","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106711","14.296","0.003","13.337","0.003","24.209","0.005","90","","103.24","0.03","90","","4493.1","1.8","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H66 Cl F3 N8 O3 -","- C43 H66 Cl F3 N8 O3 -","- C172 H264 Cl4 F12 N32 O12 -","4","2","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0546","0.0484","","","0.1111","0.1142","","","","","","1.154","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106712","15.5466","0.0002","12.5639","0.0002","24.0788","0.0004","90","","98.139","0.001","90","","4655.84","0.12","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H66 Cl F3 N8 S3 -","- C43 H66 Cl F3 N8 S3 -","- C172 H264 Cl4 F12 N32 S12 -","4","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0936","0.0734","","","0.1795","0.1986","","","","","","1.013","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106713","11.883","0.0002","14.077","0.0002","16.0453","0.0001","80.918","0.001","81.677","0.001","80.137","0.001","2592","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H54 Cl F15 N8 S3 -","- C43 H54 Cl F15 N8 S3 -","- C86 H108 Cl2 F30 N16 S6 -","2","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.051","0.0425","","","0.1268","0.1331","","","","","","1.142","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106714","13.3402","0.0002","13.9433","0.0003","16.0351","0.0003","110.739","0.001","108.838","0.001","97.067","0.001","2543.25","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H152 F6 N16 O6 S7 -","- C94 H152 F6 N16 O6 S7 -","- C94 H152 F6 N16 O6 S7 -","1","0.5","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0789","0.0598","","","0.1475","0.1606","","","","","","1.04","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106715","22.5108","0.0002","12.6543","0.0002","27.685","0.0004","90","","103.915","0.001","90","","7654.87","0.18","120","2","120","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C65 H104 F15 N9 O4 S4 -","- C65 H104 F15 N9 O4 S4 -","- C260 H416 F60 N36 O16 S16 -","4","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.097","0.0782","","","0.1888","0.2084","","","","","","1.171","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106716","31.8754","0.0002","17.8361","0.0001","19.9633","0.0001","90","","117.654","0.0004","90","","10053.3","0.11","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C87 H106 F36 N16 O11 S2 -","- C87 H106 F36 N16 O11 S2 -","- C348 H424 F144 N64 O44 S8 -","4","0.5","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0744","0.0646","","","0.1636","0.174","","","","","","1.068","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106717","23.0166","0.0003","18.0997","0.0002","23.5278","0.0003","90","","111.435","0.001","90","","9123.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl2 F15 N8 S3 -","- C36 H39 Cl2 F15 N8 S3 -","- C288 H312 Cl16 F120 N64 S24 -","8","2","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.1275","0.096","","","0.242","0.2721","","","","","","1.048","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106718","13.3126","0.0002","13.8595","0.0002","16.0796","0.0003","110.712","0.001","109.217","0.001","96.384","0.001","2531.92","0.08","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H132 F6 N16 O4 P S6 -","- C86 H132 F6 N16 O4 P S6 -","- C86 H132 F6 N16 O4 P S6 -","1","0.5","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0653","0.053","","","0.1384","0.147","","","","","","1.082","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106719","12.0334","0.0019","16.235","0.003","16.947","0.003","76.759","0.009","74.367","0.011","77.746","0.01","3063.3","0.9","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H66 F15 N8 O5 P S3 -","- C47 H66 F15 N8 O5 P S3 -","- C94 H132 F30 N16 O10 P2 S6 -","2","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.1725","0.1323","","","0.3319","0.36","","","","","","1.079","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106720","17.8434","0.0003","26.1975","0.0005","26.2403","0.0005","90","","107.687","0.001","90","","11686.3","0.4","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H126 F36 N16 O4 P S6 -","- C98 H126 F36 N16 O4 P S6 -","- C392 H504 F144 N64 O16 P4 S24 -","4","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.1584","0.09","","","0.1581","0.1925","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106721","13.55","0.003","6.4558","0.0013","32.423","0.007","90","","90","","90","","2836.2","1","150","1","150","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H13 B Br N O5 -","- C13 H13 B Br N O5 -","- C104 H104 B8 Br8 N8 O40 -","8","2","","Zhi He; Andrei K. Yudin","Amphoteric α-Boryl Aldehydes","Journal of the American Chemical Society","2011","133","","13770","13773","10.1021/ja205910d","","","0.71073","MoKα","","0.1518","0.0829","","","0.1961","0.2369","","","","","","1.003","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106722","7.217","0.003","10.952","0.004","10.924","0.004","90","","93.419","0.006","90","","861.9","0.6","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 B N O4 -","- C17 H26 B N O4 -","- C34 H52 B2 N2 O8 -","2","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.0348","0.0323","","","0.0819","0.0836","","","","","","1.076","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106723","7.0616","0.0006","10.2832","0.0008","29.237","0.002","90","","90","","90","","2123.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 B N O5 -","- C22 H28 B N O5 -","- C88 H112 B4 N4 O20 -","4","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.0532","0.0369","","","0.0826","0.0889","","","","","","1.027","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106724","7.4261","0.0006","10.3634","0.0008","11.3317","0.0009","90","","99.312","0.003","90","","860.59","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 B N O5 -","- C17 H26 B N O5 -","- C34 H52 B2 N2 O10 -","2","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.0421","0.034","","","0.0794","0.0832","","","","","","1.051","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106725","7.2683","0.0004","10.2312","0.0006","10.5809","0.0006","90","","93.78","0.003","90","","785.12","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 B N O5 -","- C16 H24 B N O5 -","- C32 H48 B2 N2 O10 -","2","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.0314","0.0293","","","0.0785","0.0799","","","","","","1.051","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106726","11.4292","0.0011","13.9385","0.0013","11.4429","0.0012","90","","91.216","0.006","90","","1822.5","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H44 B Cl2 N O6 -","- C38 H44 B Cl2 N O6 -","- C76 H88 B2 Cl4 N2 O12 -","2","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.1107","0.0528","","","0.0994","0.1198","","","","","","0.965","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106727","5.8888","0.0001","8.9545","0.0001","28.5863","0.0004","90","","90","","90","","1507.39","0.04","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O3 -","- C17 H14 Br N O3 -","- C68 H56 Br4 N4 O12 -","4","1","","Aurélien Bigot; Alice E. Williamson; Matthew J. Gaunt","Enantioselective α-Arylation of N-Acyloxazolidinones with Copper(II)-bisoxazoline Catalysts and Diaryliodonium Salts","Journal of the American Chemical Society","2011","133","","13778","13781","10.1021/ja206047h","","","0.71073","MoKα","","0.0371","0.029","","","0.068","0.07","","","","","","0.967","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106728","8.6245","0.0003","14.7525","0.0006","16.9723","0.0006","101.741","0.002","93.206","0.002","92.356","0.002","2107.9","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 Cl2 F3 N2 O4 -","- C17 H25 Cl2 F3 N2 O4 -","- C68 H100 Cl8 F12 N8 O16 -","4","2","","Shun Su; Rodrigo A. Rodriguez; Phil S. Baran","Scalable, Stereocontrolled Total Syntheses of (\±)-Axinellamines A and B","Journal of the American Chemical Society","2011","133","","13922","13925","10.1021/ja206191g","","","0.71073","MoKα","","0.0584","0.0385","","","0.0897","0.1009","","","","","","1.015","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106729","7.6055","0.001","21.324","0.003","14.1065","0.0018","90","","98.636","0.002","90","","2261.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl F6 N10 O4 -","- C15 H17 Cl F6 N10 O4 -","- C60 H68 Cl4 F24 N40 O16 -","4","1","","Shun Su; Rodrigo A. Rodriguez; Phil S. Baran","Scalable, Stereocontrolled Total Syntheses of (\±)-Axinellamines A and B","Journal of the American Chemical Society","2011","133","","13922","13925","10.1021/ja206191g","","","0.71073","MoKα","","0.0531","0.0411","","","0.096","0.1027","","","","","","1.035","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106730","4.742","","25.691","","12.212","","90","","90","","90","","1487.75","","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H28 F3 N4 O7 S -","- C31 H29 F3 N4 O7 S -","- C62 H58 F6 N8 O14 S2 -","2","1","","Changliang Ren; Victor Maurizot; Huaiqing Zhao; Jie Shen; Feng Zhou; Wei Qiang Ong; Zhiyun Du; Kun Zhang; Haibin Su; Huaqiang Zeng","Five-Fold-Symmetric Macrocyclic Aromatic Pentamers: High-Affinity Cation Recognition, Ion-Pair-Induced Columnar Stacking, and Nanofibrillation","Journal of the American Chemical Society","2011","133","","13930","13933","10.1021/ja206457b","","","0.71073","MoKα","","0.0948","0.0889","","","0.181","0.197","","","","","","1.213","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106731","18.941","0.004","36.035","0.007","38.593","0.008","90","","90","","90","","26341","9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C122 H152 N8 O6 S -","- C122 H87 N8 O6 S -","- C976 H696 N64 O48 S8 -","8","2","","Jae-min Suk; Veluru Ramesh Naidu; Xinfang Liu; Myoung Soo Lah; Kyu-Sung Jeong","A Foldamer-Based Chiroptical Molecular Switch That Displays Complete Inversion of the Helical Sense upon Anion Binding","Journal of the American Chemical Society","2011","133","","13938","13941","10.1021/ja206546b","","","0.77","synchrotron","","0.0965","0.0797","","","0.2141","0.2283","","","","","","1.02","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4106732","18.534","0.004","27.265","0.006","27.405","0.006","90","","90","","90","","13849","5","96","2","96","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C148 H198 N8 O6 S -","- C148 H135 N8 O6 S -","- C592 H540 N32 O24 S4 -","4","1","","Jae-min Suk; Veluru Ramesh Naidu; Xinfang Liu; Myoung Soo Lah; Kyu-Sung Jeong","A Foldamer-Based Chiroptical Molecular Switch That Displays Complete Inversion of the Helical Sense upon Anion Binding","Journal of the American Chemical Society","2011","133","","13938","13941","10.1021/ja206546b","","","0.85","synchrotron","","0.1209","0.1061","","","0.2637","0.2792","","","","","","1.148","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4106733","10.987","0.002","29.8","0.006","36.063","0.007","90","","90","","90","","11807","4","96","2","96","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C135 H168 N8 O6 S -","- C135 H156 N8 O6 S -","- C540 H624 N32 O24 S4 -","4","1","","Jae-min Suk; Veluru Ramesh Naidu; Xinfang Liu; Myoung Soo Lah; Kyu-Sung Jeong","A Foldamer-Based Chiroptical Molecular Switch That Displays Complete Inversion of the Helical Sense upon Anion Binding","Journal of the American Chemical Society","2011","133","","13938","13941","10.1021/ja206546b","","","0.8","synchrotron","","0.0552","0.0501","","","0.1372","0.1419","","","","","","1.081","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4106734","22.201","0.002","11.1821","0.0012","13.4257","0.0015","90","","107.456","0.002","90","","3179.5","0.6","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","2","","Kah Kah Toh; Yi-Feng Wang; Eileen Pei Jian Ng; Shunsuke Chiba","Copper-Mediated Aerobic Synthesis of 3-Azabicyclo[3.1.0]hex-2-enes and 4-Carbonylpyrroles from N-Allyl/Propargyl Enamine Carboxylates","Journal of the American Chemical Society","2011","133","","13942","13945","10.1021/ja206580j","","","0.71073","MoKα","","0.0661","0.0482","","","0.1058","0.1167","","","","","","1.035","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106735","15.3267","0.0011","16.7395","0.0013","6.3806","0.0005","90","","90","","90","","1637","0.2","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Kah Kah Toh; Yi-Feng Wang; Eileen Pei Jian Ng; Shunsuke Chiba","Copper-Mediated Aerobic Synthesis of 3-Azabicyclo[3.1.0]hex-2-enes and 4-Carbonylpyrroles from N-Allyl/Propargyl Enamine Carboxylates","Journal of the American Chemical Society","2011","133","","13942","13945","10.1021/ja206580j","","","0.71073","MoKα","","0.0549","0.0397","","","0.0981","0.1167","","","","","","1.082","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106736","3.8265","0.0003","11.2288","0.0007","27.0378","0.0017","90","","92.558","0.002","90","","1160.58","0.14","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Kah Kah Toh; Yi-Feng Wang; Eileen Pei Jian Ng; Shunsuke Chiba","Copper-Mediated Aerobic Synthesis of 3-Azabicyclo[3.1.0]hex-2-enes and 4-Carbonylpyrroles from N-Allyl/Propargyl Enamine Carboxylates","Journal of the American Chemical Society","2011","133","","13942","13945","10.1021/ja206580j","","","0.71073","MoKα","","0.056","0.0423","","","0.1102","0.1283","","","","","","1.11","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106737","8.588","0.002","10.497","0.003","13.784","0.003","90","","112.505","0.011","90","","1148","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N O2.5 -","- C5 H8 N O2.5 -","- C40 H64 N8 O20 -","8","2","","Baidya, Mahiuddin; Yamamoto, Hisashi","Metal Nitrite: A Powerful Oxidizing Reagent","Journal of the American Chemical Society","2011","133","35","13880","13882","10.1021/ja206736q","","","0.71073","MoKα","","0.0603","0.044","","","0.1","0.1045","","","","","","0.977","","","","has coordinates","219271","2020-10-21","18:00:00",""
"4106738","5.492","0.004","8.188","0.006","13.97","0.01","96.069","0.012","100.109","0.011","104.7","0.011","590.7","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C24 H42 N2 O4 -","2","1","","Baidya, Mahiuddin; Yamamoto, Hisashi","Metal Nitrite: A Powerful Oxidizing Reagent","Journal of the American Chemical Society","2011","133","35","13880","13882","10.1021/ja206736q","","","0.71073","MoKα","","0.0653","0.0527","","","0.1373","0.1436","","","","","","1.038","","","","has coordinates","219271","2020-10-21","18:00:00",""
"4106739","18.558","0.003","6.8755","0.0013","15.82","0.003","90","","110.613","0.004","90","","1889.3","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N2 O8 -","- C18 H26 N2 O8 -","- C72 H104 N8 O32 -","4","0.5","","Baidya, Mahiuddin; Yamamoto, Hisashi","Metal Nitrite: A Powerful Oxidizing Reagent","Journal of the American Chemical Society","2011","133","35","13880","13882","10.1021/ja206736q","","","0.71073","MoKα","","0.0825","0.049","","","0.0924","0.1011","","","","","","0.883","","","","has coordinates","219271","2020-10-21","18:00:00",""
"4106740","9.8072","0.0004","10.5644","0.0004","15.4385","0.0007","92.008","0.002","94.622","0.002","95.187","0.002","1586.37","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","IPrAuCH2CH2tBu","","","- C33 H49 Au N2 -","- C33 H49 Au N2 -","- C66 H98 Au2 N4 -","2","1","","Ekaterina Tkatchouk; Neal P. Mankad; Diego Benitez; William A. Goddard; F. Dean Toste","Two Metals Are Better Than One in the Gold Catalyzed Oxidative Heteroarylation of Alkenes","Journal of the American Chemical Society","2011","133","","14293","14300","10.1021/ja2012627","","","0.71073","MoKα","","0.0135","0.0128","","","0.0315","0.0319","","","","","","1.048","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106741","39.063","0.017","9.791","0.004","16.102","0.007","90","","111.636","0.005","90","","5725","4","158","2","158","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(DIMes^Me)(AuMe)2","","","- C27 H34 Au2 N4 -","- C27 H34 Au2 N4 -","- C216 H272 Au16 N32 -","8","1","","Ekaterina Tkatchouk; Neal P. Mankad; Diego Benitez; William A. Goddard; F. Dean Toste","Two Metals Are Better Than One in the Gold Catalyzed Oxidative Heteroarylation of Alkenes","Journal of the American Chemical Society","2011","133","","14293","14300","10.1021/ja2012627","","","0.71073","MoKα","","0.0716","0.0394","","","0.0787","0.0901","","","","","","1.023","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106742","12.3331","0.0007","12.3331","0.0007","43.691","0.003","90","","90","","90","","6645.6","0.7","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","(DIMes^Me)(AuCl)2","","","- C25 H28 Au2 Cl2 N4 -","- C25 H28 Au2 Cl2 N4 -","- C200 H224 Au16 Cl16 N32 -","8","0.5","","Ekaterina Tkatchouk; Neal P. Mankad; Diego Benitez; William A. Goddard; F. Dean Toste","Two Metals Are Better Than One in the Gold Catalyzed Oxidative Heteroarylation of Alkenes","Journal of the American Chemical Society","2011","133","","14293","14300","10.1021/ja2012627","","","0.71073","MoKα","","0.0659","0.0636","","","0.1901","0.1918","","","","","","1.662","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106743","13.825","0.003","16.323","0.003","27.335","0.006","76.22","0.03","82.55","0.03","65.9","0.03","5465","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C73.19 H148.26 Bi6 K4 N9.19 O24 Pd3 Sn8 -","- C73.19 H74.38 Bi6 K4 N9.19 O24 Pd3 Sn8 -","- C146.38 H148.76 Bi12 K8 N18.38 O48 Pd6 Sn16 -","2","1","","Felicitas Lips; Rodolphe Clérac; Stefanie Dehnen","[Pd3Sn8Bi6]4-: A 14-Vertex Sn/Bi Cluster Embedding a Pd3 Triangle","Journal of the American Chemical Society","2011","133","","14168","14171","10.1021/ja203302t","","","0.71073","MoKα","","0.1083","0.0772","","","0.1882","0.2058","","","","","","1.021","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106744","14.5066","0.0003","12.3458","0.0002","19.739","0.0003","90","","91.3446","0.0017","90","","3534.19","0.11","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H55 F6 N Ni P2 -","- C36 H55 F6 N Ni P2 -","- C144 H220 F24 N4 Ni4 P8 -","4","1","","Torsten Beweries; Lee Brammer; Naseralla A. Jasim; John E. McGrady; Robin N. Perutz; Adrian C. Whitwood","Energetics of Halogen Bonding of Group 10 Metal Fluoride Complexes","Journal of the American Chemical Society","2011","133","","14338","14348","10.1021/ja203320y","","","0.7107","MoKα","","0.0569","0.0398","","","0.0831","0.0917","","","","","","1.038","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106745","13.6755","0.0013","18.4389","0.0017","17.6985","0.0016","90","","111.439","0.002","90","","4154.1","0.7","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H67 F6 N Ni P2 -","- C42 H67 F6 N Ni P2 -","- C168 H268 F24 N4 Ni4 P8 -","4","1","","Torsten Beweries; Lee Brammer; Naseralla A. Jasim; John E. McGrady; Robin N. Perutz; Adrian C. Whitwood","Energetics of Halogen Bonding of Group 10 Metal Fluoride Complexes","Journal of the American Chemical Society","2011","133","","14338","14348","10.1021/ja203320y","","","0.71073","MoKα","","0.0599","0.0434","","","0.1053","0.1139","","","","","","1.036","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106746","13.9158","0.0012","16.9189","0.0014","9.782","0.0008","90","","90","","90","","2303.1","0.3","110","2","110","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C48 H74 F5 N Ni P2 -","- C48 H74 F5 N Ni P2 -","- C96 H148 F10 N2 Ni2 P4 -","2","0.5","","Torsten Beweries; Lee Brammer; Naseralla A. Jasim; John E. McGrady; Robin N. Perutz; Adrian C. Whitwood","Energetics of Halogen Bonding of Group 10 Metal Fluoride Complexes","Journal of the American Chemical Society","2011","133","","14338","14348","10.1021/ja203320y","","","0.71073","MoKα","","0.0447","0.0348","","","0.0777","0.0816","","","","","","1.016","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106747","11.2683","0.001","16.2407","0.0015","15.646","0.0013","90","","100.23","0.002","90","","2817.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Br O -","- C15 H17 Br O -","- C120 H136 Br8 O8 -","8","2","","Jian-Ping Chen; Qian Peng; Bai-Lin Lei; Xue-Long Hou; Yun-Dong Wu","Chemo- and Regioselectivity-Tunable Pd-Catalyzed Allylic Alkylation of Imines","Journal of the American Chemical Society","2011","133","","14180","14183","10.1021/ja2039503","","","0.71073","MoKα","","0.1147","0.0531","","","0.1188","0.1341","","","","","","0.792","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106748","7.3578","0.0001","10.6646","0.0002","29.1647","0.0005","90","","90","","90","","2288.5","0.07","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O4 S -","- C25 H34 O4 S -","- C100 H136 O16 S4 -","4","1","","Jian-Ping Chen; Qian Peng; Bai-Lin Lei; Xue-Long Hou; Yun-Dong Wu","Chemo- and Regioselectivity-Tunable Pd-Catalyzed Allylic Alkylation of Imines","Journal of the American Chemical Society","2011","133","","14180","14183","10.1021/ja2039503","","","1.54178","CuKα","","0.0473","0.0452","","","0.1133","0.1156","","","","","","1.096","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106749","25.042","0.004","26.826","0.004","30.848","0.005","90","","90","","90","","20723","6","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C42 H22 Cu4 O24 -","- C42 H22 Cu4 O24 -","- C336 H176 Cu32 O192 -","8","0.25","","Jarrod F. Eubank; Hasnaa Mouttaki; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Ryan Luebke; Mohamed Alkordi; Mohamed Eddaoudi","The Quest for Modular Nanocages: tbo-MOF as an Archetype for Mutual Substitution, Functionalization, and Expansion of Quadrangular Pillar Building Blocks","Journal of the American Chemical Society","2011","133","","14204","14207","10.1021/ja205658j","","","0.40663","synchrotron","","0.0986","0.0762","","","0.2391","0.252","","","","","","1.001","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106750","18.508","0.005","18.508","0.005","31.112","0.009","90","","90","","90","","10657","5","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C60 H30 Cu4 O38 -","- C60 H30 Cu4 O38 -","- C240 H120 Cu16 O152 -","4","0.125","","Jarrod F. Eubank; Hasnaa Mouttaki; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Ryan Luebke; Mohamed Alkordi; Mohamed Eddaoudi","The Quest for Modular Nanocages: tbo-MOF as an Archetype for Mutual Substitution, Functionalization, and Expansion of Quadrangular Pillar Building Blocks","Journal of the American Chemical Society","2011","133","","14204","14207","10.1021/ja205658j","","","1.54178","CuKα","","0.1269","0.1039","","","0.2536","0.2683","","","","","","1.007","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106751","22.751","0.008","28.318","0.01","57.36","0.02","90","","90","","90","","36955","2","100","2","100","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C69 H45 Cu4 N9 O24 -","- C69 H45 Cu4 N9 O24 -","- C552 H360 Cu32 N72 O192 -","8","0.25","","Jarrod F. Eubank; Hasnaa Mouttaki; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Ryan Luebke; Mohamed Alkordi; Mohamed Eddaoudi","The Quest for Modular Nanocages: tbo-MOF as an Archetype for Mutual Substitution, Functionalization, and Expansion of Quadrangular Pillar Building Blocks","Journal of the American Chemical Society","2011","133","","14204","14207","10.1021/ja205658j","","","0.40663","synchrotron","","0.1476","0.087","","","0.2059","0.2227","","","","","","1.015","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106752","15.8983","0.0019","11.2009","0.0013","10.8406","0.0013","90","","103.385","0.002","90","","1878","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","07074a","","","- C20 H21 N O7 -","- C20 H21 N O7 -","- C80 H84 N4 O28 -","4","1","","Jennifer E. Antoline; Elizabeth H. Krenske; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Stereoselectivities and Regioselectivities of (4 + 3) Cycloadditions Between Allenamide-Derived Chiral Oxazolidinone-Stabilized Oxyallyls and Furans: Experiment and Theory","Journal of the American Chemical Society","2011","133","","14443","14451","10.1021/ja205700p","","","0.71073","MoKα","","0.0292","0.0277","","","0.0705","0.0715","","","","","","1.031","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106753","12.4116","0.0019","5.4173","0.0008","13.535","0.002","90","","112.088","0.002","90","","843.3","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","07134a","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C38 H38 N2 O12 -","2","1","","Jennifer E. Antoline; Elizabeth H. Krenske; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Stereoselectivities and Regioselectivities of (4 + 3) Cycloadditions Between Allenamide-Derived Chiral Oxazolidinone-Stabilized Oxyallyls and Furans: Experiment and Theory","Journal of the American Chemical Society","2011","133","","14443","14451","10.1021/ja205700p","","","0.71073","MoKα","","0.0454","0.0348","","","0.0733","0.0772","","","","","","1.045","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106754","11.6952","0.001","5.5834","0.0005","11.8252","0.0011","90","","111.848","0.001","90","","716.71","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","07152a","","","- C16 H14 Br N O4 -","- C16 H14 Br N O4 -","- C32 H28 Br2 N2 O8 -","2","1","","Jennifer E. Antoline; Elizabeth H. Krenske; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Stereoselectivities and Regioselectivities of (4 + 3) Cycloadditions Between Allenamide-Derived Chiral Oxazolidinone-Stabilized Oxyallyls and Furans: Experiment and Theory","Journal of the American Chemical Society","2011","133","","14443","14451","10.1021/ja205700p","","","0.71073","MoKα","","0.0257","0.0228","","","0.0538","0.0547","","","","","","1.007","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106755","11.7943","0.0001","12.0767","0.0001","22.5791","0.0003","90","","111.838","0.001","90","","2985.29","0.06","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C20 H20 B F6 N5 O5 Ru S -","- C20 H20 B F6 N5 O5 Ru S -","- C80 H80 B4 F24 N20 O20 Ru4 S4 -","4","1","","Brian L. Conley; Denver Guess; Travis J. Williams","A Robust, Air-Stable, Reusable Ruthenium Catalyst for Dehydrogenation of Ammonia Borane","Journal of the American Chemical Society","2011","133","","14212","14215","10.1021/ja2058154","","","0.71073","MoKα","","0.0431","0.0314","","","0.063","0.0657","","","","","","1.078","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106756","20.789","0.0006","11.761","0.0004","19.9035","0.0006","90","","90","","90","","4866.4","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H71 N3 O P Si6 U -","- C37 H71 N3 O P Si6 U -","- C148 H284 N12 O4 P4 Si24 U4 -","4","1","","Skye Fortier; Nikolas Kaltsoyannis; Guang Wu; Trevor W. Hayton","Probing the Reactivity and Electronic Structure of a Uranium(V) Terminal Oxo Complex","Journal of the American Chemical Society","2011","133","","14224","14227","10.1021/ja206083p","","","0.71073","MoKα","","0.0364","0.0262","","","0.0519","0.0552","","","","","","0.977","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106757","18.0985","0.0003","11.8238","0.0002","16.7024","0.0003","90","","115.924","0.001","90","","3214.54","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H53 N3 O Si6 U -","- C18 H53 N3 O Si6 U -","- C72 H212 N12 O4 Si24 U4 -","4","1","","Skye Fortier; Nikolas Kaltsoyannis; Guang Wu; Trevor W. Hayton","Probing the Reactivity and Electronic Structure of a Uranium(V) Terminal Oxo Complex","Journal of the American Chemical Society","2011","133","","14224","14227","10.1021/ja206083p","","","0.71073","MoKα","","0.0358","0.0227","","","0.0404","0.0431","","","","","","1","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106758","30.5707","0.0012","17.3732","0.0007","21.5107","0.0008","90","","95.226","0.003","90","","11377.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H124 N6 O2 Si14 U2 -","- C42 H124 N6 O2 Si14 U2 -","- C252 H744 N36 O12 Si84 U12 -","6","1.5","","Skye Fortier; Nikolas Kaltsoyannis; Guang Wu; Trevor W. Hayton","Probing the Reactivity and Electronic Structure of a Uranium(V) Terminal Oxo Complex","Journal of the American Chemical Society","2011","133","","14224","14227","10.1021/ja206083p","","","0.71073","MoKα","","0.0584","0.0327","","","0.0567","0.0638","","","","","","0.994","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106759","10.4612","0.0007","13.7234","0.0009","16.9659","0.0011","70.3977","0.0008","77.2013","0.0008","70.8102","0.0008","2150","0.2","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Er2 K N6 O12 Si8 -","- C60 H144 Er2 K N6 O12 Si8 -","- C60 H144 Er2 K N6 O12 Si8 -","1","0.5","","Jeffrey D. Rinehart; Ming Fang; William J. Evans; Jeffrey R. Long","A N23-Radical-Bridged Terbium Complex Exhibiting Magnetic Hysteresis at 14 K","Journal of the American Chemical Society","2011","133","","14236","14239","10.1021/ja206286h","","","0.71073","MoKα","","0.0393","0.0288","","","0.0588","0.0618","","","","","","1.022","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106760","10.2704","0.0004","13.9728","0.0006","15.1455","0.0006","83.3933","0.0005","74.0667","0.0005","72.9371","0.0005","1996.57","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H128 K N6 O10 Si8 Tb2 -","- C52 H128 K N6 O10 Si8 Tb2 -","- C52 H128 K N6 O10 Si8 Tb2 -","1","0.5","","Jeffrey D. Rinehart; Ming Fang; William J. Evans; Jeffrey R. Long","A N23-Radical-Bridged Terbium Complex Exhibiting Magnetic Hysteresis at 14 K","Journal of the American Chemical Society","2011","133","","14236","14239","10.1021/ja206286h","","","0.71073","MoKα","","0.0232","0.02","","","0.0493","0.0508","","","","","","1.037","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106761","10.4651","0.0007","13.7377","0.0009","16.978","0.0012","70.4515","0.0007","77.2633","0.0008","70.8475","0.0007","2156","0.3","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Ho2 K N6 O12 Si8 -","- C60 H144 Ho2 K N6 O12 Si8 -","- C60 H144 Ho2 K N6 O12 Si8 -","1","0.5","","Jeffrey D. Rinehart; Ming Fang; William J. Evans; Jeffrey R. Long","A N23-Radical-Bridged Terbium Complex Exhibiting Magnetic Hysteresis at 14 K","Journal of the American Chemical Society","2011","133","","14236","14239","10.1021/ja206286h","","","0.71073","MoKα","","0.0307","0.0239","","","0.0538","0.0564","","","","","","1.026","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106762","26.0073","0.0008","11.9479","0.0004","12.9923","0.0005","90","","92.082","0.001","90","","4034.5","0.2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C31 H23 -","- C31 H23 -","- C248 H184 -","8","1","","Takashi Kubo; Yoshiki Katada; Akihiro Shimizu; Yasukazu Hirao; Kazunobu Sato; Takeji Takui; Mikio Uruichi; Kyuya Yakushi; Robert C. Haddon","Synthesis, Crystal Structure, and Physical Properties of Sterically Unprotected Hydrocarbon Radicals","Journal of the American Chemical Society","2011","133","","14240","14243","10.1021/ja2065768","","","0.71075","MoKα","","0.056","0.0436","","","0.1228","0.1274","","","","","","1.079","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106763","10.133","0.004","14.885","0.006","18.339","0.008","97.96","0.007","98.905","0.008","101.953","0.007","2631.5","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(1SR,2SR,3SR,4RS)-4-bromo-2,4-dideoxy-5-O-(2,3-dinitrobenzoyl) -2-fluoro-1-C-phenyl-1,3-bis-O-[tris(trimethylsilyl)silyl]pentitol","","- C36 H70 Br F N2 O8 Si8 -","- C36 H70 Br F N2 O8 Si8 -","- C72 H140 Br2 F2 N4 O16 Si16 -","2","1","","Jakub Saadi; Matsujiro Akakura; Hisashi Yamamoto","Rapid, One-Pot Synthesis of β-Siloxy-α-haloaldehydes","Journal of the American Chemical Society","2011","133","","14248","14251","10.1021/ja2066169","","","0.71073","MoKα","","0.1266","0.0706","","","0.1594","0.1789","","","","","","0.894","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106764","14.888","0.006","7.522","0.003","24.077","0.009","90","","93.645","0.008","90","","2690.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1RS,2SR,3SR,4RS)- 2,4-dichloro-2,4-dideoxy-1-O-(2,3-dinitrobenzoyl) -5-C-2-naphthyl-pentitol","","- C23 H19 Cl4.5 N2 O9 -","- C22.72 H18.72 Cl4.58 N2 O9 -","- C90.88 H74.88 Cl18.32 N8 O36 -","4","1","","Jakub Saadi; Matsujiro Akakura; Hisashi Yamamoto","Rapid, One-Pot Synthesis of β-Siloxy-α-haloaldehydes","Journal of the American Chemical Society","2011","133","","14248","14251","10.1021/ja2066169","","","0.71073","MoKα","","0.1748","0.0814","","","0.1873","0.2145","","","","","","0.862","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106765","9.4247","0.0002","10.6383","0.0002","11.3845","0.0002","110.181","0.001","111.185","0.001","100.274","0.001","937.17","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C42 H52 N4 O4 -","2","1","","Benjamin F. Strick; Devon A. Mundal; Regan J. Thomson","An Oxidative [2,3]-Sigmatropic Rearrangement of Allylic Hydrazides","Journal of the American Chemical Society","2011","133","","14252","14255","10.1021/ja2066219","","","1.54178","CuKα","","0.0397","0.0394","","","0.1037","0.1041","","","","","","1.058","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106766","18.4345","0.0007","5.0221","0.0002","42.0473","0.0016","90","","95.283","0.001","90","","3876.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 N2 O2 -","- C22 H32 N2 O2 -","- C176 H256 N16 O16 -","8","1","","Yu Liu; Yu Wang; Yufeng Wang; Jie Lu; Victor Piñón; Marcus Weck","Shell Cross-Linked Micelle-Based Nanoreactors for the Substrate-Selective Hydrolytic Kinetic Resolution of Epoxides","Journal of the American Chemical Society","2011","133","","14260","14263","10.1021/ja206644d","","","0.71073","MoKα","","0.051","0.0415","","","0.0993","0.1046","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106767","8.5834","0.0005","24.881","0.002","19.4952","0.0015","90","","95.021","0.001","90","","4147.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H53 K N2 O8 W -","- C40 H53 K N2 O8 W -","- C160 H212 K4 N8 O32 W4 -","4","1","","John A. S. Roberts; James A. Franz; Edwin F. van der Eide; Eric D. Walter; Jeffrey L. Petersen; Daniel L. DuBois; R. Morris Bullock","Comproportionation of Cationic and Anionic Tungsten Complexes Having an N-Heterocyclic Carbene Ligand To Give the Isolable 17-Electron Tungsten Radical CpW(CO)2(IMes).","Journal of the American Chemical Society","2011","133","","14593","14603","10.1021/ja202754e","","","0.71073","MoKα","","0.043","0.034","","","0.0836","0.0928","","","","","","1.074","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106768","8.4766","0.0005","16.4875","0.0011","18.8928","0.0013","77.913","0.001","81.191","0.001","86.769","0.001","2550.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N2 O2 W -","- C28 H29 N2 O2 W -","- C112 H116 N8 O8 W4 -","4","2","","John A. S. Roberts; James A. Franz; Edwin F. van der Eide; Eric D. Walter; Jeffrey L. Petersen; Daniel L. DuBois; R. Morris Bullock","Comproportionation of Cationic and Anionic Tungsten Complexes Having an N-Heterocyclic Carbene Ligand To Give the Isolable 17-Electron Tungsten Radical CpW(CO)2(IMes).","Journal of the American Chemical Society","2011","133","","14593","14603","10.1021/ja202754e","","","0.71073","MoKα","","0.0401","0.0274","","","0.0633","0.0717","","","","","","1.083","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106769","9.3124","0.0002","21.001","0.0005","68.1246","0.0015","90","","90","","90","","13323.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H41 N O6 Si -","- C24 H41 N O6 Si -","- C480 H820 N20 O120 Si20 -","20","5","","Ian B. Seiple; Shun Su; Ian S. Young; Akifumi Nakamura; Junichiro Yamaguchi; Lars Jørgensen; Rodrigo A. Rodriguez; Daniel P. O'Malley; Tanja Gaich; Matthias Köck; Phil S. Baran","Enantioselective Total Syntheses of (-)-Palau'amine, (-)-Axinellamines, and (-)-Massadines","Journal of the American Chemical Society","2011","133","","14710","14726","10.1021/ja2047232","","","1.54178","CuKα","","0.0579","0.0515","","","0.13","0.1345","","","","","","1.034","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106770","8.9324","0.0002","13.3079","0.0002","13.4168","0.0003","96.8119","0.0007","99.4211","0.0008","90.0255","0.0009","1561.94","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H8 B Cl15 -","- C25 H8 B Cl15 -","- C50 H16 B2 Cl30 -","2","1","","Andrew E. Ashley; Thomas J. Herrington; Gregory G. Wildgoose; Hasna Zaher; Amber L. Thompson; Nicholas H. Rees; Tobias Krämer; Dermot O'Hare","Separating Electrophilicity and Lewis Acidity: The Synthesis, Characterization, and Electrochemistry of the Electron Deficient Tris(aryl)boranes B(C6F5)3-n(C6Cl5)n (n= 1-3)","Journal of the American Chemical Society","2011","133","","14727","14740","10.1021/ja205037t","","","0.71073","MoKα","","0.0547","0.0342","","0.0944","0.0748","0.0944","","","","","","0.9641","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106771","9.3745","0.0002","14.6816","0.0003","14.5635","0.0004","90","","90.3251","0.001","90","","2004.38","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 B Cl5 F10 -","- C18 B Cl5 F10 -","- C72 B4 Cl20 F40 -","4","1","","Andrew E. Ashley; Thomas J. Herrington; Gregory G. Wildgoose; Hasna Zaher; Amber L. Thompson; Nicholas H. Rees; Tobias Krämer; Dermot O'Hare","Separating Electrophilicity and Lewis Acidity: The Synthesis, Characterization, and Electrochemistry of the Electron Deficient Tris(aryl)boranes B(C6F5)3-n(C6Cl5)n (n= 1-3)","Journal of the American Chemical Society","2011","133","","14727","14740","10.1021/ja205037t","","","0.71073","MoKα","","0.0653","0.0415","","0.114","0.0934","0.114","","","","","","0.9445","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106772","9.6279","0.0001","11.0451","0.0002","12.3145","0.0003","69.503","0.0007","85.059","0.0007","70.2181","0.0011","1153.47","0.04","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C18 B Cl10 F5 -","- C18 B Cl10 F5 -","- C36 B2 Cl20 F10 -","2","1","","Andrew E. Ashley; Thomas J. Herrington; Gregory G. Wildgoose; Hasna Zaher; Amber L. Thompson; Nicholas H. Rees; Tobias Krämer; Dermot O'Hare","Separating Electrophilicity and Lewis Acidity: The Synthesis, Characterization, and Electrochemistry of the Electron Deficient Tris(aryl)boranes B(C6F5)3-n(C6Cl5)n (n= 1-3)","Journal of the American Chemical Society","2011","133","","14727","14740","10.1021/ja205037t","","","0.71073","MoKα","","0.0593","0.0407","","0.1251","0.1011","0.1251","","","","","","0.9498","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106773","11.164","0.002","9.4753","0.0018","23.56","0.005","90","","97.016","0.003","90","","2473.6","0.8","113","2","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H54 N2 O8 -","- C62 H54 N2 O8 -","- C124 H108 N4 O16 -","2","0.5","","Mikihiro Hayashi; Fumiyuki Toshimitsu; Ryota Sakamoto; Hiroshi Nishihara","Double Lactonization in Triarylamine-Conjugated Dimethyl Diethynylfumarate: Formation of Intensely Colored and Luminescent Quadrupolar Molecules Including a Missing Structural Isomer of Pechmann Dyes","Journal of the American Chemical Society","2011","133","","14518","14521","10.1021/ja2054176","","x-ray","0.71073","MoKα","","","0.0541","","","","0.1339","","","","","","1.111","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106774","12.985","0.004","10.427","0.003","14.899","0.004","90","","109.883","0.003","90","","1897","0.9","113","2","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 N2 O8 -","- C48 H38 N2 O8 -","- C96 H76 N4 O16 -","2","0.5","","Mikihiro Hayashi; Fumiyuki Toshimitsu; Ryota Sakamoto; Hiroshi Nishihara","Double Lactonization in Triarylamine-Conjugated Dimethyl Diethynylfumarate: Formation of Intensely Colored and Luminescent Quadrupolar Molecules Including a Missing Structural Isomer of Pechmann Dyes","Journal of the American Chemical Society","2011","133","","14518","14521","10.1021/ja2054176","","x-ray","0.7107","MoKα","","","0.0814","","","","0.1811","","","","","","1.148","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106775","12.93","0.004","10.396","0.003","14.846","0.005","90","","109.689","0.003","90","","1878.9","1","113","2","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 N2 O8 -","- C48 H38 N2 O8 -","- C96 H76 N4 O16 -","2","0.5","","Mikihiro Hayashi; Fumiyuki Toshimitsu; Ryota Sakamoto; Hiroshi Nishihara","Double Lactonization in Triarylamine-Conjugated Dimethyl Diethynylfumarate: Formation of Intensely Colored and Luminescent Quadrupolar Molecules Including a Missing Structural Isomer of Pechmann Dyes","Journal of the American Chemical Society","2011","133","","14518","14521","10.1021/ja2054176","","x-ray","0.7107","MoKα","","","0.0862","","","","0.247","","","","","","1.106","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106776","25.5177","0.0009","25.5177","","6.9661","0.0004","90","","90","","120","","3928.3","0.3","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Fe O6.96 -","- C4 H Fe O6.976 -","- C72 H18 Fe18 O125.568 -","18","1","","Eric D. Bloch; Leslie J. Murray; Wendy L. Queen; Sachin Chavan; Sergey N. Maximoff; Julian P. Bigi; Rajamani Krishna; Vanessa K. Peterson; Fernande Grandjean; Gary J. Long; Berend Smit; Silvia Bordiga; Craig M. Brown; Jeffrey R. Long","Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites","Journal of the American Chemical Society","2011","133","","14814","14822","10.1021/ja205976v","powder diffraction","","","","","","","","","","","","","0.98","","","","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106777","26.0087","0.0013","26.0087","","6.8131","0.0007","90","","90","","120","","3991.3","0.5","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Fe O3.92 -","- C4 H Fe O3.92 -","- C72 H18 Fe18 O70.56 -","18","1","","Eric D. Bloch; Leslie J. Murray; Wendy L. Queen; Sachin Chavan; Sergey N. Maximoff; Julian P. Bigi; Rajamani Krishna; Vanessa K. Peterson; Fernande Grandjean; Gary J. Long; Berend Smit; Silvia Bordiga; Craig M. Brown; Jeffrey R. Long","Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites","Journal of the American Chemical Society","2011","133","","14814","14822","10.1021/ja205976v","powder diffraction","","","","","","","","","","","","","1.01","","","","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106778","26.1627","0.0021","26.1627","","6.8422","0.0007","90","","90","","120","","4055.9","0.5","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Fe O3 -","- C4 H Fe O3 -","- C72 H18 Fe18 O54 -","18","1","","Eric D. Bloch; Leslie J. Murray; Wendy L. Queen; Sachin Chavan; Sergey N. Maximoff; Julian P. Bigi; Rajamani Krishna; Vanessa K. Peterson; Fernande Grandjean; Gary J. Long; Berend Smit; Silvia Bordiga; Craig M. Brown; Jeffrey R. Long","Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites","Journal of the American Chemical Society","2011","133","","14814","14822","10.1021/ja205976v","powder diffraction","","","","","","","","","","","","","1.02","","","","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106779","6.5424","0.0014","14.242","0.003","17.525","0.003","90","","97.186","0.005","90","","1620.1","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H37 Cl2 N5 O4 -","- C34 H37 Cl2 N5 O4 -","- C68 H74 Cl4 N10 O8 -","2","1","","Chandra Kanta De; Daniel Seidel","Catalytic Enantioselective Desymmetrization ofmeso-Diamines: A Dual Small-Molecule Catalysis Approach","Journal of the American Chemical Society","2011","133","","14538","14541","10.1021/ja2060462","","","0.71073","MoKα","","0.0843","0.0572","","","0.1071","0.1152","","","","","","1.003","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106780","12.113","0.003","19.347","0.004","11.825","0.003","90","","95.49","0.03","90","","2758.5","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C32 H21 N2 O7 S2 -","- C32 H21 N2 O7 S2 -","- C128 H84 N8 O28 S8 -","4","1","","Jarkko T. Koivunen; Liisa Nissinen; Jarmo Käpylä; Johanna Jokinen; Marjo Pihlavisto; Anne Marjamäki; Jyrki Heino; Juhani Huuskonen; Olli T. Pentikäinen","Fluorescent Small Molecule Probe to Modulate and Explore α2β1 Integrin Function","Journal of the American Chemical Society","2011","133","","14558","14561","10.1021/ja206086c","","","1.54178","CuKα","","0.0675","0.047","","","0.1153","0.1266","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106781","10.312","0.002","31.026","0.006","8.404","0.0017","90","","95.68","0.03","90","","2675.6","0.9","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C32 H20 N2 O6 S2 -","- C32 H20 N2 O6 S2 -","- C128 H80 N8 O24 S8 -","4","1","","Jarkko T. Koivunen; Liisa Nissinen; Jarmo Käpylä; Johanna Jokinen; Marjo Pihlavisto; Anne Marjamäki; Jyrki Heino; Juhani Huuskonen; Olli T. Pentikäinen","Fluorescent Small Molecule Probe to Modulate and Explore α2β1 Integrin Function","Journal of the American Chemical Society","2011","133","","14558","14561","10.1021/ja206086c","","","0.71073","MoKα","","0.1045","0.0603","","","0.0984","0.1137","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106782","12.1975","0.0004","12.7938","0.0004","18.1555","0.0005","83.93","0.001","74.371","0.001","83.488","0.001","2702.47","0.14","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H55 B F20 Si5 Sn -","- C46 H55 B F20 Si5 Sn -","- C92 H110 B2 F40 Si10 Sn2 -","2","1","","Annemarie Schäfer; Wolfgang Saak; Detlev Haase; Thomas Müller","Persistent Dialkyl(silyl)stannylium Ions","Journal of the American Chemical Society","2011","133","","14562","14565","10.1021/ja206338u","","","0.71073","MoKα","","0.0429","0.0308","","","0.0739","0.0833","","","","","","1.067","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106783","15.8702","0.0004","21.1514","0.0005","18.8102","0.0005","90","","108.489","0.001","90","","5988.2","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52.5 H65 B F20 Si5 Sn -","- C52.5 H65 B F20 Si5 Sn -","- C210 H260 B4 F80 Si20 Sn4 -","4","1","","Annemarie Schäfer; Wolfgang Saak; Detlev Haase; Thomas Müller","Persistent Dialkyl(silyl)stannylium Ions","Journal of the American Chemical Society","2011","133","","14562","14565","10.1021/ja206338u","","","0.71073","MoKα","","0.0393","0.0275","","","0.0682","0.079","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106784","16.76313","0.00009","16.76313","","16.76313","","90","","90","","90","","4710.48","0.03","298","","","","","","","","","","","3","F d -3 :2","-F 2uv 2vw 3","203","","","","- D15 Ga5 Rb8 -","- D15 Ga5 Rb8 -","- D120 Ga40 Rb64 -","8","0.0833333","","Henrik Fahlquist; Dag Noréus; Samantha Callear; William I. F. David; Björn C. Hauback","Two New Cluster Ions, Ga[GaH3]45- with a Neopentane Structure in Rb8Ga5H15 and [GaH2]nn- with a Polyethylene Structure in Rbn(GaH2)n, Represent a New Class of Compounds with Direct Ga-Ga Bonds Mimicking Common Hydrocarbons","Journal of the American Chemical Society","2011","133","","14574","14577","10.1021/ja2067687","powder diffraction","","","","","","","","","","","","","2.78","","","","","","","has coordinates,has Fobs","178813","2020-10-21","18:00:00",""
"4106785","6.02553","0.00009","6.02553","","6.02553","","90","","90","","90","","218.769","0.003","298","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- D Rb -","- D Rb -","- D4 Rb4 -","4","0.0208333","","Henrik Fahlquist; Dag Noréus; Samantha Callear; William I. F. David; Björn C. Hauback","Two New Cluster Ions, Ga[GaH3]45- with a Neopentane Structure in Rb8Ga5H15 and [GaH2]nn- with a Polyethylene Structure in Rbn(GaH2)n, Represent a New Class of Compounds with Direct Ga-Ga Bonds Mimicking Common Hydrocarbons","Journal of the American Chemical Society","2011","133","","14574","14577","10.1021/ja2067687","powder diffraction","","","","","","","","","","","","","2.78","","","","","","","has coordinates,has Fobs","178813","2020-10-21","18:00:00",""
"4106786","7.4536","0.0004","4.4838","0.0002","9.5466","0.0004","90","","90","","90","","319.05","0.03","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- D2 Ga Rb -","- D2 Ga Rb -","- D8 Ga4 Rb4 -","4","0.5","","Henrik Fahlquist; Dag Noréus; Samantha Callear; William I. F. David; Björn C. Hauback","Two New Cluster Ions, Ga[GaH3]45- with a Neopentane Structure in Rb8Ga5H15 and [GaH2]nn- with a Polyethylene Structure in Rbn(GaH2)n, Represent a New Class of Compounds with Direct Ga-Ga Bonds Mimicking Common Hydrocarbons","Journal of the American Chemical Society","2011","133","","14574","14577","10.1021/ja2067687","powder diffraction","neutron","1.5556","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.7348","","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4106787","11.4229","0.0004","11.4229","0.0004","14.1312","0.0005","90","","90","","120","","1596.84","0.1","100","2","100","2","","","","","","","","4","P 31","P 31","144","","","","- C25 H27 N3 S -","- C25 H27 N3 S -","- C75 H81 N9 S3 -","3","1","","Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen","Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions","Journal of the American Chemical Society","2011","133","","14578","14581","10.1021/ja206997e","","","1.54178","CuKα","","0.0902","0.0898","","","0.1773","0.1776","","","","","","1.019","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106788","6.9456","0.0003","6.6693","0.0003","16.2697","0.0007","90","","95.464","0.002","90","","750.23","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C34 H34 Br2 O6 -","2","1","","Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen","Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions","Journal of the American Chemical Society","2011","133","","14578","14581","10.1021/ja206997e","","","0.71073","MoKα","","0.0214","0.0195","","","0.0455","0.046","","","","","","1.083","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106789","29.9461","0.0007","5.0733","0.0001","15.3388","0.0004","90","","90.381","0.002","90","","2330.3","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H21 F6 N O2 -","- C21 H21 F6 N O2 -","- C84 H84 F24 N4 O8 -","4","1","","Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen","Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions","Journal of the American Chemical Society","2011","133","","14578","14581","10.1021/ja206997e","","","1.54178","CuKα","","0.0355","0.0345","","","0.0932","0.0939","","","","","","1.093","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106790","7.2085","0.0001","7.8988","0.0001","13.8528","0.0002","90","","90","","90","","788.758","0.019","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","1","","Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen","Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions","Journal of the American Chemical Society","2011","133","","14578","14581","10.1021/ja206997e","","","1.54178","CuKα","","0.0287","0.0285","","","0.0728","0.0731","","","","","","1.145","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106791","10.7492","0.0005","11.2308","0.0006","20.7876","0.0011","93.048","0.003","103.754","0.003","100.868","0.003","2381.2","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H75 Co N3 O2 P3 Zr -","- C46 H75 Co N3 O2 P3 Zr -","- C92 H150 Co2 N6 O4 P6 Zr2 -","2","1","","Jeremy P. Krogman; Bruce M. Foxman; Christine M. Thomas","Activation of CO2 by a Heterobimetallic Zr/Co Complex","Journal of the American Chemical Society","2011","133","","14582","14585","10.1021/ja2071847","","","0.71073","MoKα","","0.0681","0.0482","","0.1147","0.1063","0.1147","","","","","","1.0015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106792","12.6585","0.0003","19.2534","0.0005","25.0678","0.0005","90.043","0.001","92.524","0.001","91.204","0.001","6102.2","0.2","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C58 H99 Co N3 Na O5 P3 Zr -","- C58 H99 Co N3 Na O5 P3 Zr -","- C232 H396 Co4 N12 Na4 O20 P12 Zr4 -","4","2","","Jeremy P. Krogman; Bruce M. Foxman; Christine M. Thomas","Activation of CO2 by a Heterobimetallic Zr/Co Complex","Journal of the American Chemical Society","2011","133","","14582","14585","10.1021/ja2071847","","","0.71073","MoKα","","0.104","0.0489","","0.1221","0.1039","0.1221","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106793","14.37","0.0005","24.6113","0.0008","20.1119","0.0007","90","","90.003","0.002","90","","7112.9","0.4","120","","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H115 Co N3 Na2 O9 P3 Zr -","- C67 H115 Co N3 Na2 O9 P3 Zr -","- C268 H460 Co4 N12 Na8 O36 P12 Zr4 -","4","1","","Jeremy P. Krogman; Bruce M. Foxman; Christine M. Thomas","Activation of CO2 by a Heterobimetallic Zr/Co Complex","Journal of the American Chemical Society","2011","133","","14582","14585","10.1021/ja2071847","","","0.71073","MoKα","","0.0552","0.0427","","0.0911","0.0875","0.0911","","","","","","0.9597","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106794","18.5044","0.0009","12.2107","0.0006","24.3932","0.0013","90","","94.917","0.003","90","","5491.4","0.5","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H83 Co N3 O2 P3 Si Zr -","- C52 H83 Co N3 O2 P3 Si Zr -","- C208 H332 Co4 N12 O8 P12 Si4 Zr4 -","4","1","","Jeremy P. Krogman; Bruce M. Foxman; Christine M. Thomas","Activation of CO2 by a Heterobimetallic Zr/Co Complex","Journal of the American Chemical Society","2011","133","","14582","14585","10.1021/ja2071847","","","0.71073","MoKα","","0.0345","0.027","","0.0761","0.069","0.0761","","","","","","0.9985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106795","8.7268","0.001","18.294","0.002","20.348","0.002","90","","90","","90","","3248.5","0.6","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C40 H26 Cd I2 N8 -","- C40 H26 Cd I2 N8 -","- C80 H52 Cd2 I4 N16 -","2","0.25","","Lucas D. DeVries; Paul M. Barron; Evan P. Hurley; Chunhua Hu; Wonyoung Choe","""Nanoscale Lattice Fence"" in a Metal-Organic Framework: Interplay between Hinged Topology and Highly Anisotropic Thermal Response","Journal of the American Chemical Society","2011","133","","14848","14851","10.1021/ja2032822","","","0.71073","MoKα","","0.05","0.0425","","","0.1203","0.1248","","","","","","1.044","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106796","8.8045","0.0006","18.2945","0.0013","20.364","0.0015","90","","90","","90","","3280.1","0.4","200","2","200","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C40 H26 Cd I2 N8 -","- C40 H26 Cd I2 N8 -","- C80 H52 Cd2 I4 N16 -","2","0.25","","Lucas D. DeVries; Paul M. Barron; Evan P. Hurley; Chunhua Hu; Wonyoung Choe","""Nanoscale Lattice Fence"" in a Metal-Organic Framework: Interplay between Hinged Topology and Highly Anisotropic Thermal Response","Journal of the American Chemical Society","2011","133","","14848","14851","10.1021/ja2032822","","","0.71073","MoKα","","0.0636","0.0476","","","0.1273","0.1347","","","","","","1.011","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106797","8.9939","0.0017","18.27","0.004","20.38","0.004","90","","90","","90","","3348.8","1.2","297","2","297","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C40 H26 Cd I2 N8 -","- C40 H26 Cd I2 N8 -","- C80 H52 Cd2 I4 N16 -","2","0.25","","Lucas D. DeVries; Paul M. Barron; Evan P. Hurley; Chunhua Hu; Wonyoung Choe","""Nanoscale Lattice Fence"" in a Metal-Organic Framework: Interplay between Hinged Topology and Highly Anisotropic Thermal Response","Journal of the American Chemical Society","2011","133","","14848","14851","10.1021/ja2032822","","","0.71073","MoKα","","0.0622","0.0453","","","0.124","0.1305","","","","","","1.034","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106798","64.17","0.04","4.975","0.003","7.285","0.004","90","","94.782","0.007","90","","2318","2","100","2","100","2","","","101.3","","","","","4","C 1 2 1","C 2y","5","","18-(pentylamino)octadecan-7-ol","","- C23 H49 N O -","- C23 H48 N O -","- C92 H192 N4 O4 -","4","1","","V. Ajay Mallia; Paul D. Butler; Bijay Sarkar; K. Travis Holman; Richard G. Weiss","Reversible Phase Transitions within Self-Assembled Fibrillar Networks of (R)-18-(n-Alkylamino)octadecan-7-ols in Their Carbon Tetrachloride Gels","Journal of the American Chemical Society","2011","133","","15045","15054","10.1021/ja204371b","","x-ray","0.71073","MoKα","","0.1579","0.1203","","","0.356","0.3765","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106799","13.6619","0.0009","13.8526","0.001","18.2493","0.0012","67.742","0.001","82.738","0.001","81.48","0.002","3151.8","0.4","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H120 N16 O16 Ru4 -","- C134.43 H120 N16 O16 Ru4 -","- C134.43 H120 N16 O16 Ru4 -","1","0.5","","Bin Xi; Isiah P.-C. Liu; Guo-Lin Xu; Mohommad M. R. Choudhuri; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","Modulation of Electronic Couplings within Ru2-Polyyne Frameworks","Journal of the American Chemical Society","2011","133","","15094","15104","10.1021/ja204813h","","","0.71073","MoKα","","0.1119","0.0592","","","0.1487","0.1684","","","","","","1.008","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106800","16.2323","0.0016","35.319","0.004","19.3815","0.0019","90","","95.983","0.002","90","","11051","2","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C116 H108 N20 O6 Ru4 -","- C112.88 H72 N20 O5.22 Ru4 -","- C451.52 H288 N80 O20.88 Ru16 -","4","0.5","","Bin Xi; Isiah P.-C. Liu; Guo-Lin Xu; Mohommad M. R. Choudhuri; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","Modulation of Electronic Couplings within Ru2-Polyyne Frameworks","Journal of the American Chemical Society","2011","133","","15094","15104","10.1021/ja204813h","","","0.71073","MoKα","","0.1024","0.0539","","","0.1453","0.172","","","","","","1.012","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106801","18.7179","0.0008","22.1686","0.0014","22.2364","0.0014","114.086","0.003","98.165","0.002","101.781","0.002","7979.7","0.8","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C151 H150 Co2 N16 O23 P2 Ru4 -","- C151 H150 Co2 N16 O23 P2 Ru4 -","- C302 H300 Co4 N32 O46 P4 Ru8 -","2","1","","Bin Xi; Isiah P.-C. Liu; Guo-Lin Xu; Mohommad M. R. Choudhuri; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","Modulation of Electronic Couplings within Ru2-Polyyne Frameworks","Journal of the American Chemical Society","2011","133","","15094","15104","10.1021/ja204813h","","","0.71073","MO-Kα","","0.093","0.069","","","0.124","0.131","","","","","","1.104","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106802","9.1762","0.0003","11.7369","0.0004","9.834","0.0003","90","","90","","90","","1059.12","0.06","298","","298","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C3 H9 La N O9 P3 -","- C3 H9 La N O9 P3 -","- C12 H36 La4 N4 O36 P12 -","4","1","","Patrícia Silva; Fabiana Vieira; Ana C. Gomes; Duarte Ananias; José A. Fernandes; Sofia M. Bruno; Rosário Soares; Anabela A. Valente; João Rocha; Filipe A. Almeida Paz","Thermal Transformation of a Layered Multifunctional Network into a Metal-Organic Framework Based on a Polymeric Organic Linker","Journal of the American Chemical Society","2011","133","","15120","15138","10.1021/ja205243w","powder diffraction","","","X-ray","","","","","","","","","9.5848","","","","","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106803","9.766","0.0006","11.3438","0.0003","8.7307","0.0005","90","","90","","90","","967.22","0.09","298","","298","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C3 H7 La N O8 P3 -","- C3 H7 La N O8 P3 -","- C12 H28 La4 N4 O32 P12 -","4","1","","Patrícia Silva; Fabiana Vieira; Ana C. Gomes; Duarte Ananias; José A. Fernandes; Sofia M. Bruno; Rosário Soares; Anabela A. Valente; João Rocha; Filipe A. Almeida Paz","Thermal Transformation of a Layered Multifunctional Network into a Metal-Organic Framework Based on a Polymeric Organic Linker","Journal of the American Chemical Society","2011","133","","15120","15138","10.1021/ja205243w","powder diffraction","","","X-ray","","","","","","","","","7.8962","","","","","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106804","8.7247","0.0005","11.3493","0.0003","9.7728","0.0006","90","","90","","90","","967.7","0.09","298","","298","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C3 H7 La N O8 P3 -","- C3 H7 La N O8 P3 -","- C12 H28 La4 N4 O32 P12 -","4","1","","Patrícia Silva; Fabiana Vieira; Ana C. Gomes; Duarte Ananias; José A. Fernandes; Sofia M. Bruno; Rosário Soares; Anabela A. Valente; João Rocha; Filipe A. Almeida Paz","Thermal Transformation of a Layered Multifunctional Network into a Metal-Organic Framework Based on a Polymeric Organic Linker","Journal of the American Chemical Society","2011","133","","15120","15138","10.1021/ja205243w","powder diffraction","","","X-ray","","","","","","","","","6.9277","","","","","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106805","24.9834","0.0013","24.9834","0.0013","24.9834","0.0013","90","","90","","90","","15593.9","1.4","90","2","90","2","","","","","","","","5","F 41 3 2","F 4d 2 3","210","","","","- C72 H90 N12 O13 Os2.5 -","- C72 H84 N12 O13.242 Os2.562 -","- C576 H672 N96 O105.936 Os20.496 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.6889","","","0.0752","0.0723","","","0.1779","0.1797","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106806","24.7706","0.0005","24.7706","0.0005","24.7706","0.0005","90","","90","","90","","15198.8","0.5","100","2","100","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I4.5 N12 -","- C72 H84 I4.432 N12 -","- C576 H672 I35.456 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1012","0.098","","","0.2605","0.2628","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106807","24.9725","0.0012","24.9725","0.0012","24.9725","0.0012","90","","90","","90","","15573.5","1.3","298","2","298","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I4.5 N12 -","- C72 H84 I4.544 N12 -","- C576 H672 I36.352 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.0789","0.0688","","","0.2027","0.2136","","","","","","1.115","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106808","24.9673","0.0018","24.9673","0.0018","24.9673","0.0018","90","","90","","90","","15563.8","1.9","318","2","318","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I4.5 N12 -","- C72 H84 I4.46 N12 -","- C576 H672 I35.68 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.0956","0.0682","","","0.1932","0.2179","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106809","24.992","0.003","24.992","0.003","24.992","0.003","90","","90","","90","","15610","3","338","2","338","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I4 N12 -","- C72 H84 I4.088 N12 -","- C576 H672 I32.704 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.0971","0.0691","","","0.1994","0.2226","","","","","","1.115","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106810","24.898","0.003","24.898","0.003","24.898","0.003","90","","90","","90","","15435","3","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I2 N12 -","- C72 H84 I2.146 N12 -","- C576 H672 I17.168 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1362","0.0877","","","0.24","0.2649","","","","","","1.247","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106811","24.893","0.003","24.893","0.003","24.893","0.003","90","","90","","90","","15425","3","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I1.5 N12 -","- C72 H84 I1.4296 N12 -","- C576 H672 I11.4368 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1386","0.0889","","","0.2229","0.25","","","","","","1.211","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106812","24.89","0.003","24.89","0.003","24.89","0.003","90","","90","","90","","15420","3","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I1.2 N12 -","- C72 H84 I1.2092 N12 -","- C576 H672 I9.6736 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1486","0.0943","","","0.224","0.2474","","","","","","1.324","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106813","24.933","0.003","24.933","0.003","24.933","0.003","90","","90","","90","","15500","3","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I N12 -","- C72 H84 I1.0088 N12 -","- C576 H672 I8.0704 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1479","0.1046","","","0.2549","0.2733","","","","","","1.621","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106814","24.876","0.005","24.876","0.005","24.876","0.005","90","","90","","90","","15394","5","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I0.9 N12 -","- C72 H84 I0.914 N12 -","- C576 H672 I7.312 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.17","0.1153","","","0.278","0.2978","","","","","","1.624","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106815","24.914","0.003","24.914","0.003","24.914","0.003","90","","90","","90","","15464","3","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I3 N12 -","- C72 H84 I3.038 N12 -","- C576 H672 I24.304 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1182","0.0818","","","0.2251","0.2515","","","","","","1.148","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106816","16.0358","0.0008","8.2776","0.0005","15.5407","0.0009","90","","107.358","0.003","90","","1968.9","0.19","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O3 Si -","- C20 H27 N O3 Si -","- C80 H108 N4 O12 Si4 -","4","1","","Erik M. Stang; M. Christina White","Molecular Complexity via C-H Activation: A Dehydrogenative Diels-Alder Reaction","Journal of the American Chemical Society","2011","133","","14892","14895","10.1021/ja2059704","","","0.71073","MoKα","","0.0527","0.0387","","","0.0951","0.1031","","","","","","1.032","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106817","7.7991","0.0006","12.1515","0.001","21.4998","0.0016","76.317","0.004","89.53","0.005","72.349","0.004","1882.1","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O4 -","- C23 H18 N2 O4 -","- C92 H72 N8 O16 -","4","2","","Erik M. Stang; M. Christina White","Molecular Complexity via C-H Activation: A Dehydrogenative Diels-Alder Reaction","Journal of the American Chemical Society","2011","133","","14892","14895","10.1021/ja2059704","","","0.71073","MoKα","","0.0814","0.044","","","0.0915","0.1059","","","","","","1.013","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106818","10.4545","0.0008","13.0186","0.001","15.239","0.0013","88.953","0.005","75.935","0.005","86.647","0.005","2008.4","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C88 H116 N4 O20 -","4","2","","Erik M. Stang; M. Christina White","Molecular Complexity via C-H Activation: A Dehydrogenative Diels-Alder Reaction","Journal of the American Chemical Society","2011","133","","14892","14895","10.1021/ja2059704","","","0.71073","MoKα","","0.1097","0.0505","","","0.0968","0.1165","","","","","","1.01","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106819","11.9158","0.0009","12.1881","0.0009","14.9957","0.001","87.464","0.003","83.542","0.003","69.604","0.002","2028.3","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 Ni O4 P -","- C48 H57 Ni O4 P -","- C96 H114 Ni2 O8 P2 -","2","1","","Masato Ohashi; Tomoaki Taniguchi; Sensuke Ogoshi","Nickel-Catalyzed Formation of Cyclopentenone Derivatives via the Unique Cycloaddition of α,β-Unsaturated Phenyl Esters with Alkynes","Journal of the American Chemical Society","2011","133","","14900","14903","10.1021/ja2059999","","","0.71075","MoKα","","0.1309","0.0716","","","0.1521","0.2415","","","","","","1.185","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106820","13.9259","0.0012","18.0957","0.0014","18.4593","0.0017","90","","90.15","0.003","90","","4651.7","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H78 Ni O2 P2 -","- C51 H78 Ni O2 P2 -","- C204 H312 Ni4 O8 P8 -","4","1","","Masato Ohashi; Tomoaki Taniguchi; Sensuke Ogoshi","Nickel-Catalyzed Formation of Cyclopentenone Derivatives via the Unique Cycloaddition of α,β-Unsaturated Phenyl Esters with Alkynes","Journal of the American Chemical Society","2011","133","","14900","14903","10.1021/ja2059999","","","0.71075","MoKα","","0.084","0.061","","","0.1309","0.1438","","","","","","1.032","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106821","15.246","0.005","18.113","0.006","15.847","0.005","90","","98.388","0.007","90","","4329","2","158","2","158","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tlg-1-178","","","- C48 H60 N3 Nb O -","- C48 H60 N3 Nb O -","- C192 H240 N12 Nb4 O4 -","4","1","","Thomas L. Gianetti; Neil C. Tomson; John Arnold; Robert G. Bergman","Z-Selective, Catalytic Internal Alkyne Semihydrogenation under H2/CO Mixtures by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2011","133","","14904","14907","10.1021/ja206016s","","","0.71073","MoKα","","0.0598","0.0385","","","0.0748","0.0837","","","","","","1.047","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106822","12.702","0.003","17.67","0.004","20.776","0.005","90","","100.094","0.003","90","","4590.9","1.9","154","2","154","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tlgxr20","","","- C47 H67 N4 Nb -","- C47 H67 N4 Nb -","- C188 H268 N16 Nb4 -","4","1","","Thomas L. Gianetti; Neil C. Tomson; John Arnold; Robert G. Bergman","Z-Selective, Catalytic Internal Alkyne Semihydrogenation under H2/CO Mixtures by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2011","133","","14904","14907","10.1021/ja206016s","","","0.71073","MoKα","","0.0449","0.0319","","","0.076","0.0839","","","","","","1.062","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106823","17.4255","0.0007","23.6328","0.001","21.2105","0.0009","90","","98.0275","0.0012","90","","8649.2","0.6","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H41 B2 F8 N4.5 O Pd2 -","- C49.5 H35 B2 F8 N4.5 O Pd2 -","- C396 H280 B16 F64 N36 O8 Pd16 -","8","2","","Tetsuro Murahashi; Kohei Takase; Masa-aki Oka; Sensuke Ogoshi","Oxidative Dinuclear Addition of a PdI-PdI Moiety to Arenes: Generation of μ-η3:η3-Arene-PdII2 Species","Journal of the American Chemical Society","2011","133","","14908","14911","10.1021/ja206076u","","","0.71075","MoKα","","","0.0496","","","","0.0571","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106824","9.643","0.003","11.957","0.004","13.585","0.004","63.325","0.006","81.36","0.006","69.636","0.005","1312.1","0.7","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 B2 F8 N2 Pd2 -","- C24 H19 B2 F8 N2 Pd2 -","- C48 H38 B4 F16 N4 Pd4 -","2","1","","Tetsuro Murahashi; Kohei Takase; Masa-aki Oka; Sensuke Ogoshi","Oxidative Dinuclear Addition of a PdI-PdI Moiety to Arenes: Generation of μ-η3:η3-Arene-PdII2 Species","Journal of the American Chemical Society","2011","133","","14908","14911","10.1021/ja206076u","","","0.71075","MoKα","","","0.0533","","","","0.0613","","","","","","0.96","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106825","10.2184","0.0007","13.8764","0.001","25.8461","0.0018","89.2379","0.0018","81.8766","0.0019","78.169","0.0019","3550.5","0.4","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C32.5 H32.5 B2 F8 N4.5 O Pd2 -","- C32.5 H28.5 B2 F8 N4.5 O Pd2 -","- C130 H114 B8 F32 N18 O4 Pd8 -","4","2","","Tetsuro Murahashi; Kohei Takase; Masa-aki Oka; Sensuke Ogoshi","Oxidative Dinuclear Addition of a PdI-PdI Moiety to Arenes: Generation of μ-η3:η3-Arene-PdII2 Species","Journal of the American Chemical Society","2011","133","","14908","14911","10.1021/ja206076u","","","0.71075","MoKα","","","0.0599","","","","0.0704","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106826","13.4428","0.0005","24.2164","0.0009","10.8013","0.0005","90","","101.052","0.001","90","","3451","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H30 B2 F8 N4 Pd2 -","- C33.5 H26 B2 F8 N4 Pd2 -","- C134 H104 B8 F32 N16 Pd8 -","4","1","","Tetsuro Murahashi; Kohei Takase; Masa-aki Oka; Sensuke Ogoshi","Oxidative Dinuclear Addition of a PdI-PdI Moiety to Arenes: Generation of μ-η3:η3-Arene-PdII2 Species","Journal of the American Chemical Society","2011","133","","14908","14911","10.1021/ja206076u","","","0.71075","MoKα","","","0.0455","","","","0.0607","","","","","","1.362","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106827","6.8494","0.0003","17.1089","0.0007","10.04","0.0004","90","","90.747","0.002","90","","1176.44","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 N2 O6 S -","- C11 H12 N2 O6 S -","- C44 H48 N8 O24 S4 -","4","2","","Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor","Emissive RNA Alphabet","Journal of the American Chemical Society","2011","133","","14912","14915","10.1021/ja206095a","","","1.54178","CuKα","","0.0312","0.0301","","","0.0773","0.0781","","","","","","1.047","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106828","4.9662","0.0003","17.4493","0.0009","17.4476","0.0012","90","","97.765","0.005","90","","1498.09","0.16","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N4 O5 S -","- C14 H18 N4 O5 S -","- C56 H72 N16 O20 S4 -","4","2","","Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor","Emissive RNA Alphabet","Journal of the American Chemical Society","2011","133","","14912","14915","10.1021/ja206095a","","","1.54184","CuKα","","0.0511","0.0433","","","0.1045","0.1096","","","","","","1.028","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106829","6.9963","0.0005","10.6835","0.0007","16.5458","0.001","90","","90","","90","","1236.72","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N3 O6 S -","- C11 H15 N3 O6 S -","- C44 H60 N12 O24 S4 -","4","1","","Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor","Emissive RNA Alphabet","Journal of the American Chemical Society","2011","133","","14912","14915","10.1021/ja206095a","","","1.54178","CuKα","","0.0307","0.0295","","","0.0784","0.0798","","","","","","1.048","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106830","4.698","0.0002","11.4175","0.0004","22.0983","0.0008","90","","90","","90","","1185.34","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N3 O4 S -","- C11 H13 N3 O4 S -","- C44 H52 N12 O16 S4 -","4","1","","Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor","Emissive RNA Alphabet","Journal of the American Chemical Society","2011","133","","14912","14915","10.1021/ja206095a","","","1.54178","CuKα","","0.0313","0.0289","","","0.0731","0.0751","","","","","","1.036","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106831","6.9547","0.0003","14.3426","0.0006","16.3824","0.0007","90","","90","","90","","1634.12","0.12","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 I N O -","- C19 H18 I N O -","- C76 H72 I4 N4 O4 -","4","1","","Stephen G. Newman; Jennifer K. Howell; Norman Nicolaus; Mark Lautens","Palladium-Catalyzed Carbohalogenation: Bromide to Iodide Exchange and Domino Processes","Journal of the American Chemical Society","2011","133","","14916","14919","10.1021/ja206099t","","","0.71073","MoKα","","0.0698","0.0466","","","0.1029","0.1174","","","","","","1.059","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106832","20.0654","0.0002","9.1914","0.0003","12.3656","0.0006","90","","100.57","0.0018","90","","2241.88","0.13","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl I N O5 -","- C22 H22 Cl I N O5 -","- C88 H88 Cl4 I4 N4 O20 -","4","1","","Stephen G. Newman; Jennifer K. Howell; Norman Nicolaus; Mark Lautens","Palladium-Catalyzed Carbohalogenation: Bromide to Iodide Exchange and Domino Processes","Journal of the American Chemical Society","2011","133","","14916","14919","10.1021/ja206099t","","","0.71073","MoKα","","0.0852","0.0434","","","0.1019","0.1255","","","","","","1.025","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106833","12.5278","0.001","12.5278","0.001","12.6511","0.0007","90","","90","","90","","1985.5","0.2","293","2","293","2","","","","","","","synthesis as described","6","P 4 n c","P 4 -2n","104","","","","- C24 H28 Bi2 Cl4 I6 N4 -","- C24 H28 Bi2 Cl4 I6 N4 -","- C48 H56 Bi4 Cl8 I12 N8 -","2","0.25","","Nicolas Leblanc; Nicolas Mercier; Leokadiya Zorina; Sergey Simonov; Pascale Auban-Senzier; Claude Pasquier","Large Spontaneous Polarization and Clear Hysteresis Loop of a Room-Temperature Hybrid Ferroelectric Based on Mixed-Halide [BiI3Cl2] Polar Chains and Methylviologen Dication","Journal of the American Chemical Society","2011","133","","14924","14927","10.1021/ja206171s","","x-ray","0.71073","MoKα","","0.0789","0.0348","","","0.0731","0.084","","","","","","1.029","","","","has coordinates","264242","2021-04-16","08:51:47",""
"4106834","9.6483","0.0005","11.9539","0.0006","8.5468","0.0004","90","","101.684","0.003","90","","965.32","0.08","273","2","273","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H24 Cl5 N3 O -","- C13 H24 Cl5 N3 O -","- C26 H48 Cl10 N6 O2 -","2","1","","Guang-Peng Wu; Sheng-Hsuan Wei; Wei-Min Ren; Xiao-Bing Lu; Tie-Qi Xu; Donald J. Darensbourg","Perfectly Alternating Copolymerization of CO2 and Epichlorohydrin Using Cobalt(III)-Based Catalyst Systems","Journal of the American Chemical Society","2011","133","","15191","15199","10.1021/ja206425j","","","0.71073","MoKα","","0.0393","0.0381","","","0.0988","0.1002","","","","","","1.037","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106835","5.9712","0.0003","11.235","0.0005","16.7877","0.0008","102.99","0.003","98.34","0.003","90.483","0.003","1084.82","0.09","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H28 Cl4 Co0.5 N3 O6 -","- C13 H22 Cl4 Co0.5 N3 O6 -","- C26 H44 Cl8 Co N6 O12 -","2","1","","Guang-Peng Wu; Sheng-Hsuan Wei; Wei-Min Ren; Xiao-Bing Lu; Tie-Qi Xu; Donald J. Darensbourg","Perfectly Alternating Copolymerization of CO2 and Epichlorohydrin Using Cobalt(III)-Based Catalyst Systems","Journal of the American Chemical Society","2011","133","","15191","15199","10.1021/ja206425j","","","0.71073","MoKα","","0.1527","0.1273","","","0.4067","0.4448","","","","","","1.818","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106836","7.8868","0.0004","7.8868","0.0004","5.2243","0.0003","90","","90","","90","","324.96","0.03","293","","293","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca1.023 Ga3 Nd0.977 O7 -","- Ca1.05 Ga3 Nd0.95 O7 -","- Ca2.1 Ga6 Nd1.9 O14 -","2","0.25","","Fengxia Wei; Tom Baikie; Tao An; Martin Schreyer; Christian Kloc; T. J. White","Five-Dimensional Incommensurate Structure of the Melilite Electrolyte [CaNd]2[Ga]2[Ga2O7]2","Journal of the American Chemical Society","2011","133","","15200","15211","10.1021/ja206441x","","","0.71073","MoKα","","0.0299","0.0297","","","0.0425","0.0425","","","","2.54","2.54","2.53","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106837","10.2241","0.0003","7.8813","0.0003","18.7697","0.0006","90","","91.532","0.001","90","","1511.91","0.09","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Cl2 N O3 S -","- C14 H12 Cl2 N O3 S -","- C56 H48 Cl8 N4 O12 S4 -","4","2","","Lennart Lykke; Carles Rodríguez-Escrich; Karl Anker Jørgensen","Catalytic Enantioselective Oxaziridination","Journal of the American Chemical Society","2011","133","","14932","14935","10.1021/ja2064457","","x-ray","0.71073","MoKα","","0.0555","0.041","","","0.0898","0.1044","","","","","","1.047","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106838","11.9335","0.0003","11.9335","0.0003","36.635","0.0009","90","","90","","120","","4518.2","0.2","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C32 H34 N2 O7 S -","- C32 H34 N2 O7 S -","- C192 H204 N12 O42 S6 -","6","1","","Yankai Liu; Manuel Nappi; Elena Arceo; Silvia Vera; Paolo Melchiorre","Asymmetric Catalysis of Diels-Alder Reactions with in Situ Generated Heterocyclic ortho-Quinodimethanes","Journal of the American Chemical Society","2011","133","","15212","15218","10.1021/ja206517s","","","0.71073","MoKα","","0.0418","0.0388","","","0.1024","0.1044","","","","","","1.037","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4106839","15.6585","0.0007","29.8504","0.0013","35.6816","0.0017","90","","90","","90","","16678","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46.5 H43 Br2 Cl N2 O7 -","- C46.5 H43 Br2 Cl N2 O7 -","- C744 H688 Br32 Cl16 N32 O112 -","16","4","","Yankai Liu; Manuel Nappi; Elena Arceo; Silvia Vera; Paolo Melchiorre","Asymmetric Catalysis of Diels-Alder Reactions with in Situ Generated Heterocyclic ortho-Quinodimethanes","Journal of the American Chemical Society","2011","133","","15212","15218","10.1021/ja206517s","","","0.71073","MoKα","","0.1181","0.0839","","","0.1939","0.2113","","","","","","1.06","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4106840","17.3171","0.001","8.9956","0.0007","12.4459","0.0008","90","","110.09","0.001","90","","1820.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Hang Shi; Lichao Fang; Ceheng Tan; Lili Shi; Weibin Zhang; Chuang-chuang Li; Tuoping Luo; Zhen Yang","Total Syntheses of Drimane-Type Sesquiterpenoids Enabled by a Gold-Catalyzed Tandem Reaction","Journal of the American Chemical Society","2011","133","","14944","14947","10.1021/ja206837j","","","0.71073","MoKα","","0.0923","0.0455","","","0.1189","0.1684","","","","","","1.153","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106841","8.7244","0.0017","13.188","0.003","15.006","0.003","90","","90","","90","","1726.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Hang Shi; Lichao Fang; Ceheng Tan; Lili Shi; Weibin Zhang; Chuang-chuang Li; Tuoping Luo; Zhen Yang","Total Syntheses of Drimane-Type Sesquiterpenoids Enabled by a Gold-Catalyzed Tandem Reaction","Journal of the American Chemical Society","2011","133","","14944","14947","10.1021/ja206837j","","","0.71073","MoKα","","0.1046","0.0362","","","0.0556","0.0651","","","","","","0.507","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106842","20.741","0.004","6.7355","0.0013","26.237","0.005","90","","101.57","0.03","90","","3590.9","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 N O -","- C22 H27 N O -","- C176 H216 N8 O8 -","8","1","","Hang Shi; Lichao Fang; Ceheng Tan; Lili Shi; Weibin Zhang; Chuang-chuang Li; Tuoping Luo; Zhen Yang","Total Syntheses of Drimane-Type Sesquiterpenoids Enabled by a Gold-Catalyzed Tandem Reaction","Journal of the American Chemical Society","2011","133","","14944","14947","10.1021/ja206837j","","","0.71073","MoKα","","0.156","0.0482","","","0.0936","0.0993","","","","","","1","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106843","7.3622","0.0002","7.3622","0.0002","8.4885","0.0003","90","","90","","120","","398.45","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Mn N O6 -","- C3 H7.02 Mn N O6 -","- C6 H14.04 Mn2 N2 O12 -","2","0.166667","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0222","0.0202","","","0.0508","0.0512","","","","","","1.132","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106844","12.6685","0.0003","12.6685","0.0003","8.5374","0.0002","90","","90","","120","","1186.61","0.05","110","2","110","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 Mn N O6 -","- C3 H7 Mn N O6 -","- C18 H42 Mn6 N6 O36 -","6","1","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0544","0.0317","","","0.0806","0.0867","","","","","","0.979","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106845","7.3236","0.0002","7.3236","0.0002","8.318","0.0004","90","","90","","120","","386.37","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Fe N O6 -","- C3 H7.02 Fe N O6 -","- C6 H14.04 Fe2 N2 O12 -","2","0.166667","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0376","0.0232","","","0.0501","0.053","","","","","","1.088","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106846","12.6167","0.0003","12.6167","0.0003","8.3647","0.0002","90","","90","","120","","1153.11","0.05","110","","110","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 Fe N O6 -","- C3 H7 Fe N O6 -","- C18 H42 Fe6 N6 O36 -","6","1","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0444","0.0287","","","0.0799","0.0852","","","","","","1.022","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106847","7.3058","0.0002","7.3058","0.0002","8.1897","0.0004","90","","90","","120","","378.56","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Co N O6 -","- C3 H7.02 Co N O6 -","- C6 H14.04 Co2 N2 O12 -","2","0.166667","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0265","0.0208","","","0.0464","0.0474","","","","","","1.092","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106848","12.5871","0.0003","12.5871","0.0003","8.2237","0.0002","90","","90","","120","","1128.36","0.05","110","","110","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 Co N O6 -","- C3 H7 Co N O6 -","- C18 H42 Co6 N6 O36 -","6","1","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0624","0.0297","","","0.0768","0.086","","","","","","0.941","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106849","7.2861","0.0013","7.2861","0.0013","8.0207","0.0016","90","","90","","120","","368.75","0.12","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.02 N Ni O6 -","- C6 H14.04 N2 Ni2 O12 -","2","0.166667","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.018","0.0168","","","0.0418","0.0421","","","","","","1.172","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106850","7.3084","0.0002","7.3084","0.0002","8.1705","0.0003","90","","90","","120","","377.94","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H7.02 N O6 Zn -","- C6 H14.04 N2 O12 Zn2 -","2","0.166667","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.022","0.0191","","","0.0444","0.0453","","","","","","1.08","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106851","12.5919","0.0003","12.5919","0.0003","8.2015","0.0002","90","","90","","120","","1126.18","0.05","110","","110","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C18 H42 N6 O36 Zn6 -","6","1","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0729","0.0306","","","0.076","0.0855","","","","","","0.907","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106852","13.0299","0.0013","18.2188","0.0018","12.7153","0.0011","90","","90","","90","","3018.5","0.5","123","","123","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C31.5 H34 Cl2 N2 O3 Ru S -","- C31.5 H34 Cl2 N2 O3 Ru S -","- C126 H136 Cl8 N8 O12 Ru4 S4 -","4","1","","Taichiro Touge; Tomohiko Hakamata; Hideki Nara; Tohru Kobayashi; Noboru Sayo; Takao Saito; Yoshihito Kayaki; Takao Ikariya","Oxo-Tethered Ruthenium(II) Complex as a Bifunctional Catalyst for Asymmetric Transfer Hydrogenation and H2 Hydrogenation","Journal of the American Chemical Society","2011","133","","14960","14963","10.1021/ja207283t","","","0.71075","MoKα","","","0.0274","","","","0.0738","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106853","12.582","0.003","17.311","0.004","13.987","0.003","90","","99.586","0.003","90","","3003.9","1.2","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H36 Cl N2 O2.5 Ru S -","- C32 H35 Cl N2 O2.5 Ru S -","- C128 H140 Cl4 N8 O10 Ru4 S4 -","4","2","","Taichiro Touge; Tomohiko Hakamata; Hideki Nara; Tohru Kobayashi; Noboru Sayo; Takao Saito; Yoshihito Kayaki; Takao Ikariya","Oxo-Tethered Ruthenium(II) Complex as a Bifunctional Catalyst for Asymmetric Transfer Hydrogenation and H2 Hydrogenation","Journal of the American Chemical Society","2011","133","","14960","14963","10.1021/ja207283t","","","0.71075","MoKα","","","0.0411","","","","0.1038","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106854","8.3489","0.0004","7.3054","0.0003","9.9944","0.0005","90","","105.627","0.003","90","","587.05","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O3 -","- C13 H22 O3 -","- C26 H44 O6 -","2","1","","Jacob Y. Cha; John T. S. Yeoman; Sarah E. Reisman","A Concise Total Synthesis of (-)-Maoecrystal Z","Journal of the American Chemical Society","2011","133","","14964","14967","10.1021/ja2073356","","","0.71073","MoKα","","0.0512","0.0408","","","0.0498","0.0504","","","","","","1.709","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106855","8.6244","0.0006","16.3829","0.0011","12.3896","0.0008","90","","110.075","0.001","90","","1644.2","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H50.83 O7.415 Si -","- C32 H50.83 O7.415 Si -","- C64 H101.66 O14.83 Si2 -","2","1","","Kai Liu; Hiyun Kim; Partha Ghosh; Novruz G. Akhmedov; Lawrence J. Williams","Direct Entry to Erythronolides via a Cyclic Bis[Allene]","Journal of the American Chemical Society","2011","133","","14968","14971","10.1021/ja207496p","","","0.71073","MoKα","","0.0638","0.0563","","","0.134","0.1392","","","","","","1.011","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106856","13.319","0.003","16.01","0.002","15.468","0.002","90","","99.281","0.007","90","","3255.2","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H55 N7 O2 Zr -","- C28 H55 N7 O2 Zr -","- C112 H220 N28 O8 Zr4 -","4","1","","David C. Leitch; Rachel H. Platel; Laurel L. Schafer","Mechanistic Elucidation of Intramolecular Aminoalkene Hydroamination Catalyzed by a Tethered Bis(ureate) Complex: Evidence for Proton-Assisted C-N Bond Formation at Zirconium","Journal of the American Chemical Society","2011","133","","15453","15463","10.1021/ja202448b","","","0.71073","MoKα","","0.0734","0.0483","","","0.1008","0.1122","","","","","","1.018","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106857","12.3906","0.0012","12.5842","0.0013","13.3974","0.0014","63.414","0.004","67.651","0.004","65.864","0.004","1654.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 N12 O4 Zr2 -","- C64 H104 N12 O4 Zr2 -","- C64 H104 N12 O4 Zr2 -","1","0.5","","David C. Leitch; Rachel H. Platel; Laurel L. Schafer","Mechanistic Elucidation of Intramolecular Aminoalkene Hydroamination Catalyzed by a Tethered Bis(ureate) Complex: Evidence for Proton-Assisted C-N Bond Formation at Zirconium","Journal of the American Chemical Society","2011","133","","15453","15463","10.1021/ja202448b","","","0.71073","MoKα","","0.0278","0.0246","","","0.0649","0.0679","","","","","","1.086","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106858","13.151","0.005","15.598","0.005","13.856","0.005","90","0.005","95.011","0.005","90","0.005","2831.4","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H50 N6 O2 Zr -","- C23 H50 N6 O2 Zr -","- C92 H200 N24 O8 Zr4 -","4","1","","David C. Leitch; Rachel H. Platel; Laurel L. Schafer","Mechanistic Elucidation of Intramolecular Aminoalkene Hydroamination Catalyzed by a Tethered Bis(ureate) Complex: Evidence for Proton-Assisted C-N Bond Formation at Zirconium","Journal of the American Chemical Society","2011","133","","15453","15463","10.1021/ja202448b","","","0.71069","MoKα","","0.0302","0.0228","","","0.0662","0.0803","","","","","","1.213","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106859","11.0282","0.0009","11.7606","0.0009","12.5485","0.0011","73.031","0.003","84.601","0.004","75.168","0.003","1504.5","0.2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H51 Cl N6 O2 Zr -","- C23 H51 Cl N6 O2 Zr -","- C46 H102 Cl2 N12 O4 Zr2 -","2","1","","David C. Leitch; Rachel H. Platel; Laurel L. Schafer","Mechanistic Elucidation of Intramolecular Aminoalkene Hydroamination Catalyzed by a Tethered Bis(ureate) Complex: Evidence for Proton-Assisted C-N Bond Formation at Zirconium","Journal of the American Chemical Society","2011","133","","15453","15463","10.1021/ja202448b","","","0.71073","MoKα","","0.0384","0.0317","","","0.0794","0.0825","","","","","","1.064","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106860","16.328","0.003","16.328","0.003","10.2112","0.0016","90","","90","","120","","2357.6","0.7","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C35 H42 N2 O5 -","- C34 H38 N2 O4 -","- C102 H114 N6 O12 -","3","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains","Journal of the American Chemical Society","2011","133","","15559","15567","10.1021/ja204755p","","","1.54178","CuKα","","0.0325","0.0314","","","0.0771","0.0776","","","","","","1.108","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106861","7.4496","0.0002","7.5774","0.0002","25.0094","0.0005","90","","90","","90","","1411.75","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains","Journal of the American Chemical Society","2011","133","","15559","15567","10.1021/ja204755p","","","1.54178","CuKα","","0.0267","0.0263","","","0.0718","0.0722","","","","","","0.984","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106862","9.3769","0.0003","13.6383","0.0004","17.3326","0.0005","90","","100.121","0.002","90","","2182.09","0.11","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H57 N3 O6 -","- C51 H57 N3 O6 -","- C102 H114 N6 O12 -","2","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains","Journal of the American Chemical Society","2011","133","","15559","15567","10.1021/ja204755p","","","1.54178","CuKα","","0.0773","0.0761","","","0.1938","0.1952","","","","","","1.044","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106863","9.5687","0.0004","21.5564","0.0008","13.1776","0.0006","90","","90.693","0.003","90","","2717.9","0.2","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H64 N4 O6 -","- C62 H64 N4 O6 -","- C124 H128 N8 O12 -","2","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains","Journal of the American Chemical Society","2011","133","","15559","15567","10.1021/ja204755p","","","1.54178","CuKα","","0.1237","0.0902","","","0.209","0.2307","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106864","9.6953","0.0014","10.3729","0.0015","30.136","0.004","90","","92.124","0.003","90","","3028.6","0.7","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H35 N O4 S -","- C36 H35 N O4 S -","- C144 H140 N4 O16 S4 -","4","2","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.1309","0.1184","","","0.306","0.3153","","","","","","1.118","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106865","15.2125","0.0011","10.3075","0.0007","16.0267","0.0011","90","","112.207","0.003","90","","2326.6","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N O2 S -","- C26 H31 N O2 S -","- C104 H124 N4 O8 S4 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0544","0.0416","","","0.1102","0.1244","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106866","12.0461","0.001","14.2879","0.0015","33.757","0.003","90","","90","","90","","5810","0.9","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O4 S -","- C33 H37 N O4 S -","- C264 H296 N8 O32 S8 -","8","2","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0902","0.0547","","","0.114","0.1414","","","","","","1.008","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106867","9.5737","0.0003","12.7735","0.0004","16.7885","0.0005","90","","90.134","0.001","90","","2053.05","0.11","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 N O3 S -","- C22 H27 N O3 S -","- C88 H108 N4 O12 S4 -","4","2","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0482","0.0409","","","0.1012","0.1142","","","","","","1.095","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106868","8.727","0.0004","12.2836","0.0005","31.8909","0.0015","90","","90","","90","","3418.7","0.3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H41 N O4 S -","- C39 H41 N O4 S -","- C156 H164 N4 O16 S4 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0453","0.0399","","","0.0948","0.098","","","","","","1.037","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106869","9.2006","0.0006","17.7065","0.001","9.6157","0.0006","90","","99.191","0.004","90","","1546.39","0.17","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 N O4 S -","- C34 H40 N O4 S -","- C68 H80 N2 O8 S2 -","2","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.072","0.0504","","","0.1101","0.1332","","","","","","1.056","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106870","14.5105","0.001","11.6735","0.0007","21.0625","0.0013","90","","115.684","0.004","90","","3215.2","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 N O4 S2 -","- C37 H39 N O4 S2 -","- C148 H156 N4 O16 S8 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0579","0.0411","","","0.1094","0.1246","","","","","","1.054","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106871","8.2758","0.0007","14.3175","0.0013","19.5838","0.0018","90","","90","","90","","2320.5","0.4","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O2 S -","- C26 H33 N O2 S -","- C104 H132 N4 O8 S4 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.032","0.0288","","","0.0783","0.0867","","","","","","1.168","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106872","22.6739","0.0018","11.2846","0.0009","15.9956","0.0012","90","","91.738","0.003","90","","4090.8","0.6","103","2","103","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C35 H48 Au Cl2 F6 N4 Sb -","- C35 H48 Au Cl2 F6 N4 Sb -","- C140 H192 Au4 Cl8 F24 N16 Sb4 -","4","2","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0805","0.0641","","","0.1606","0.1745","","","","","","1.051","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106873","9.1954","0.0003","11.0169","0.0004","31.9995","0.0014","90","","90","","90","","3241.7","0.2","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H39 N O4 S -","- C38 H39 N O4 S -","- C152 H156 N4 O16 S4 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0866","0.0589","","","0.1215","0.1375","","","","","","1.033","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106874","5.2114","0.001","18.831","0.004","19.186","0.004","90","","90","","90","","1882.8","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Wei Li; Xiaohua Liu; Xiaoyu Hao; Xiaolei Hu; Yangyang Chu; Weidi Cao; Song Qin; Changwei Hu; Lili Lin; Xiaoming Feng","New Electrophilic Addition of α-Diazoesters with Ketones for Enantioselective C-N Bond Formation","Journal of the American Chemical Society","2011","133","","15268","15271","10.1021/ja2056159","","","1.54178","CuKα","","0.0338","0.031","","","0.0723","0.077","","","","","","1.086","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106875","19.671","0.0014","8.748","0.0007","15.9812","0.0011","90","","90","","90","","2750.1","0.4","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H40 N O P Pd -","- C30 H40 N O P Pd -","- C120 H160 N4 O4 P4 Pd4 -","4","1","","Patrick S. Hanley; John F. Hartwig","Intermolecular Migratory Insertion of Unactivated Olefins into Palladium-Nitrogen Bonds. Steric and Electronic Effects on the Rate of Migratory Insertion","Journal of the American Chemical Society","2011","133","","15661","15673","10.1021/ja205722f","","","0.71073","MoKα","","0.0639","0.0387","","","0.0699","0.0773","","","","","","1.009","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106876","21.2843","0.0015","9.3814","0.0007","20.7994","0.0014","90","","94.453","0.003","90","","4140.6","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H59 N O P2 Pd2 -","- C42 H59 N O P2 Pd2 -","- C168 H236 N4 O4 P8 Pd8 -","4","1","","Patrick S. Hanley; John F. Hartwig","Intermolecular Migratory Insertion of Unactivated Olefins into Palladium-Nitrogen Bonds. Steric and Electronic Effects on the Rate of Migratory Insertion","Journal of the American Chemical Society","2011","133","","15661","15673","10.1021/ja205722f","","","0.71073","MoKα","","0.0613","0.0369","","","0.0723","0.0802","","","","","","1.026","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106877","6.0206","0.0001","15.7711","0.0004","21.0506","0.0004","90","","90","","90","","1998.79","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C88 H72 N8 O32 -","8","2","","Xue Xu; Hongjian Lu; Joshua V. Ruppel; Xin Cui; Silke Lopez de Mesa; Lukasz Wojtas; X. Peter Zhang","Highly Asymmetric Intramolecular Cyclopropanation of Acceptor-Substituted Diazoacetates by Co(II)-Based Metalloradical Catalysis: Iterative Approach for Development of New-Generation Catalysts","Journal of the American Chemical Society","2011","133","","15292","15295","10.1021/ja2062506","","","1.54178","CuKα","","0.0407","0.0379","","","0.0914","0.0931","","","","","","1.084","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106878","5.8667","0.0002","8.8242","0.0002","21.4253","0.0005","90","","90","","90","","1109.16","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Xue Xu; Hongjian Lu; Joshua V. Ruppel; Xin Cui; Silke Lopez de Mesa; Lukasz Wojtas; X. Peter Zhang","Highly Asymmetric Intramolecular Cyclopropanation of Acceptor-Substituted Diazoacetates by Co(II)-Based Metalloradical Catalysis: Iterative Approach for Development of New-Generation Catalysts","Journal of the American Chemical Society","2011","133","","15292","15295","10.1021/ja2062506","","","1.54178","CuKα","","0.0336","0.0328","","","0.0886","0.0892","","","","","","1.026","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106879","7.5048","0.0002","5.1061","0.0002","12.4279","0.0004","90","","101.03","0.002","90","","467.44","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O -","- C11 H13 N O -","- C22 H26 N2 O2 -","2","1","","Xue Xu; Hongjian Lu; Joshua V. Ruppel; Xin Cui; Silke Lopez de Mesa; Lukasz Wojtas; X. Peter Zhang","Highly Asymmetric Intramolecular Cyclopropanation of Acceptor-Substituted Diazoacetates by Co(II)-Based Metalloradical Catalysis: Iterative Approach for Development of New-Generation Catalysts","Journal of the American Chemical Society","2011","133","","15292","15295","10.1021/ja2062506","","","1.54178","CuKα","","0.0299","0.0296","","","0.0757","0.076","","","","","","1.073","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106880","5.7269","0.0003","8.3487","0.0005","35.6555","0.0017","90","","90","","90","","1704.77","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Xue Xu; Hongjian Lu; Joshua V. Ruppel; Xin Cui; Silke Lopez de Mesa; Lukasz Wojtas; X. Peter Zhang","Highly Asymmetric Intramolecular Cyclopropanation of Acceptor-Substituted Diazoacetates by Co(II)-Based Metalloradical Catalysis: Iterative Approach for Development of New-Generation Catalysts","Journal of the American Chemical Society","2011","133","","15292","15295","10.1021/ja2062506","","","1.54178","CuKα","","0.0525","0.0453","","","0.1052","0.1086","","","","","","1.089","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106881","10.096","0.0003","21.715","0.0009","21.009","0.0009","90","","110.49","0.002","90","","4314.5","0.3","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","BINCF3","","","- C42 H29 Cl3 F6 O5 P2 Rh2 -","- C42 H29 Cl3 F6 O5 P2 Rh2 -","- C168 H116 Cl12 F24 O20 P8 Rh8 -","4","1","","María E. Moragues; Julio Esteban; José Vicente Ros-Lis; Ramón Martínez-Máñez; M. Dolores Marcos; Manuel Martínez; Juan Soto; Félix Sancenón","Sensitive and Selective Chromogenic Sensing of Carbon Monoxide via Reversible Axial CO Coordination in Binuclear Rhodium Complexes","Journal of the American Chemical Society","2011","133","","15762","15772","10.1021/ja206251r","","","0.71073","MoKα","","0.1711","0.0634","","","0.1368","0.2019","","","","","","0.988","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106882","6.1559","0.0008","8.6293","0.0011","27.248","0.003","90","","90","","90","","1447.4","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O S -","- C17 H18 O S -","- C68 H72 O4 S4 -","4","1","","Scott E. Denmark; David J. P. Kornfilt; Thomas Vogler","Catalytic Asymmetric Thiofunctionalization of Unactivated Alkenes","Journal of the American Chemical Society","2011","133","","15308","15311","10.1021/ja2064395","","","0.71073","MoKα","","0.0255","0.0248","","","0.0652","0.0656","","","","","","1.022","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106883","19.411","0.002","19.411","0.002","16.0339","0.0012","90","","90","","120","","5232","0.9","200","2","200","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C24 Cr4 Mn2 N8 O53 -","- C24 Cr4 Mn2 N8 O53 -","- C72 Cr12 Mn6 N24 O159 -","3","0.25","","Emilio Pardo; Cyrille Train; Geoffrey Gontard; Kamal Boubekeur; Oscar Fabelo; Hongbo Liu; Brahim Dkhil; Francesc Lloret; Kosuke Nakagawa; Hiroko Tokoro; Shin-ichi Ohkoshi; Michel Verdaguer","High Proton Conduction in a Chiral Ferromagnetic Metal-Organic Quartz-like Framework","Journal of the American Chemical Society","2011","133","","15328","15331","10.1021/ja206917z","","","0.71073","MoKα","","0.0828","0.0578","","","0.1484","0.1621","","","","","","1.045","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106884","18.7113","0.0009","15.8961","0.0008","21.8206","0.0011","90","","110.308","0.001","90","","6086.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H67 Dy2 Fe2 N5 O20 -","- C60 H64 Dy2 Fe2 N5 O20 -","- C240 H256 Dy8 Fe8 N20 O80 -","4","0.5","","Valeriu Mereacre; Amer Baniodeh; Christopher E. Anson; Annie K. Powell","Effect of Ligand Substitution on the Interaction Between Anisotropic Dy(III) Ions and57Fe Nuclei in Fe2Dy2 Coordination Clusters","Journal of the American Chemical Society","2011","133","","15335","15337","10.1021/ja206941e","","","0.71073","MoKα","","0.0542","0.0353","","","0.0755","0.0808","","","","","","1.009","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106885","11.5412","0.001","14.2757","0.0013","14.487","0.0012","61.979","0.006","87.646","0.007","80.384","0.007","2075.5","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H92 Dy2 Fe2 N4 O24 -","- C80 H92 Dy2 Fe2 N4 O24 -","- C80 H92 Dy2 Fe2 N4 O24 -","1","0.5","","Valeriu Mereacre; Amer Baniodeh; Christopher E. Anson; Annie K. Powell","Effect of Ligand Substitution on the Interaction Between Anisotropic Dy(III) Ions and57Fe Nuclei in Fe2Dy2 Coordination Clusters","Journal of the American Chemical Society","2011","133","","15335","15337","10.1021/ja206941e","","","0.71073","MoKα","","0.0458","0.04","","","0.0956","0.0972","","","","","","0.999","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106886","18.1723","0.0009","11.6948","0.0006","26.4638","0.0014","90","","96.466","0.001","90","","5588.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C107 H145 Cl2 Dy2 Fe2 N5 O24 -","- C104 H140 Dy2 Fe2 N4 O24 -","- C208 H280 Dy4 Fe4 N8 O48 -","2","0.5","","Valeriu Mereacre; Amer Baniodeh; Christopher E. Anson; Annie K. Powell","Effect of Ligand Substitution on the Interaction Between Anisotropic Dy(III) Ions and57Fe Nuclei in Fe2Dy2 Coordination Clusters","Journal of the American Chemical Society","2011","133","","15335","15337","10.1021/ja206941e","","","0.71073","MoKα","","0.0499","0.0435","","","0.1001","0.1023","","","","","","1.17","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106887","11.0959","0.001","14.0354","0.0012","14.3715","0.0011","85.882","0.007","89.474","0.007","75.941","0.007","2165.4","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C71.4 H83.7 Dy2 Fe2 N15.7 O34.3 -","- C71.4 H82.2 Dy2 Fe2 N15.7 O34.3 -","- C71.4 H82.2 Dy2 Fe2 N15.7 O34.3 -","1","0.5","","Valeriu Mereacre; Amer Baniodeh; Christopher E. Anson; Annie K. Powell","Effect of Ligand Substitution on the Interaction Between Anisotropic Dy(III) Ions and57Fe Nuclei in Fe2Dy2 Coordination Clusters","Journal of the American Chemical Society","2011","133","","15335","15337","10.1021/ja206941e","","","0.71073","MoKα","","0.0589","0.0364","","","0.0612","0.0643","","","","","","0.983","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106888","11.9912","0.0006","12.8733","0.0007","14.5474","0.0008","70.567","0.004","79.101","0.004","67.143","0.004","1946.78","0.19","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H70 Dy2 Fe2 N14 O20 -","- C72 H70 Dy2 Fe2 N14 O20 -","- C72 H70 Dy2 Fe2 N14 O20 -","1","0.5","","Valeriu Mereacre; Amer Baniodeh; Christopher E. Anson; Annie K. Powell","Effect of Ligand Substitution on the Interaction Between Anisotropic Dy(III) Ions and57Fe Nuclei in Fe2Dy2 Coordination Clusters","Journal of the American Chemical Society","2011","133","","15335","15337","10.1021/ja206941e","","","0.71073","MoKα","","0.0318","0.0261","","","0.0579","0.0593","","","","","","1.016","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106889","24.6803","0.0007","19.0086","0.0006","24.8761","0.0008","90","","90","","90","","11670.3","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C186 H104 La2 N8 Ni2 -","- C186 H104 La1.9998 N8 Ni2 -","- C744 H416 La7.9992 N32 Ni8 -","4","0.5","","Christine M. Beavers; Hongxiao Jin; Hua Yang; Zhimin Wang; Xinqing Wang; Hongliang Ge; Ziyang Liu; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Very Large, Soluble Endohedral Fullerenes in the Series La2C90 to La2C138: Isolation and Crystallographic Characterization of La2@D5(450)-C100","Journal of the American Chemical Society","2011","133","","15338","15341","10.1021/ja207090e","","","0.7749","synchrotron","","0.1162","0.0726","","","0.2027","0.2411","","","","","","1.026","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106890","14.0736","0.0007","16.1627","0.0008","20.5702","0.001","90","","94.579","0.001","90","","4664.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H70 N2 O3 Si2 W -","- C46 H63 N2 O3 Si2 W -","- C184 H252 N8 O12 Si8 W4 -","4","1","","Takako Muraoka; Keisuke Abe; Youhei Haga; Tomoko Nakamura; Keiji Ueno","Synthesis of a Base-Stabilized Silanone-Coordinated Complex by Oxygenation of a (Silyl)(silylene)tungsten Complex","Journal of the American Chemical Society","2011","133","","15365","15367","10.1021/ja207395w","","","0.71073","MoKα","","0.0753","0.0743","","","0.1264","0.1268","","","","","","1.424","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106891","11.414","0.002","12.2453","0.0019","12.606","0.002","78.318","0.017","83.57","0.018","80.96","0.018","1698.1","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 O4 Si2 W -","- C32 H48 O4 Si2 W -","- C64 H96 O8 Si4 W2 -","2","1","","Takako Muraoka; Keisuke Abe; Youhei Haga; Tomoko Nakamura; Keiji Ueno","Synthesis of a Base-Stabilized Silanone-Coordinated Complex by Oxygenation of a (Silyl)(silylene)tungsten Complex","Journal of the American Chemical Society","2011","133","","15365","15367","10.1021/ja207395w","","","0.71073","MoKα","","0.0441","0.0437","","","0.1077","0.108","","","","","","1.191","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106892","10.7602","0.0003","26.2859","0.0009","11.0666","0.0004","90","","96.7772","0.0014","90","","3108.22","0.18","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mg{CpFe(CO)2}2(THF)4","","- C30 H42 Fe2 Mg O8 -","- C30 H42 Fe2 Mg O8 -","- C120 H168 Fe8 Mg4 O32 -","4","1","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Heterobimetallic Complexes Containing Ca-Fe or Yb-Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)2}2(THF)3]2 (M = Ca or Yb)","Journal of the American Chemical Society","2011","133","","15358","15361","10.1021/ja207487j","","","0.71073","MoKα","","0.1205","0.0683","","0.0659","0.0482","0.0455","","","","","","1.1257","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106893","12.9009","0.0001","21.4323","0.0002","16.2355","0.0001","90","","109.763","0.0004","90","","4224.64","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ca(LDipp)Fp(THF)2]2","","- C88 H122 Ca2 Fe2 N4 O8 -","- C88 H122 Ca2 Fe2 N4 O8 -","- C176 H244 Ca4 Fe4 N8 O16 -","2","0.5","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Heterobimetallic Complexes Containing Ca-Fe or Yb-Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)2}2(THF)3]2 (M = Ca or Yb)","Journal of the American Chemical Society","2011","133","","15358","15361","10.1021/ja207487j","","","0.71073","MoKα","","0.049","0.0375","","0.0436","0.0372","0.0363","","","","","","1.0939","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106894","10.1473","0.0005","11.041","0.0006","15.6119","0.0008","106.883","0.005","102.239","0.004","99.551","0.004","1586.54","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","[CaFp2(THF)3]2","","- C56 H76 Ca2 Fe4 O15 -","- C56 H76 Ca2 Fe4 O15 -","- C56 H76 Ca2 Fe4 O15 -","1","0.5","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Heterobimetallic Complexes Containing Ca-Fe or Yb-Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)2}2(THF)3]2 (M = Ca or Yb)","Journal of the American Chemical Society","2011","133","","15358","15361","10.1021/ja207487j","","","1.54184","CuKα","","0.0849","0.064","","0.0443","0.0408","0.0401","","","","","","1.1597","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106895","10.1742","0.0001","11.0428","0.0001","15.7031","0.0002","106.925","0.0006","102.648","0.0005","99.4417","0.0006","1597.11","0.03","150","","150","","","","","","","","","5","P -1","-P 1","2","","YbFp2(THF)3","","- C58 H80 Fe4 O15.5 Yb2 -","- C58 H80 Fe4 O15.5 Yb2 -","- C58 H80 Fe4 O15.5 Yb2 -","1","0.5","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Heterobimetallic Complexes Containing Ca-Fe or Yb-Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)2}2(THF)3]2 (M = Ca or Yb)","Journal of the American Chemical Society","2011","133","","15358","15361","10.1021/ja207487j","","","0.71073","MoKα","","0.0278","0.0254","","0.0277","0.0266","0.0264","","","","","","1.0766","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106896","16.324","0.004","19.559","0.005","18.516","0.005","90","","90","","90","","5912","3","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","eisbm05","","","- C28 H44 Co N S4 -","- C28 H44 Co N S4 -","- C224 H352 Co8 N8 S32 -","8","2","","William R. McNamara; Zhiji Han; Paul J. Alperin; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","A Cobalt-Dithiolene Complex for the Photocatalytic and Electrocatalytic Reduction of Protons","Journal of the American Chemical Society","2011","133","","15368","15371","10.1021/ja207842r","","","0.71073","MoKα","","0.0877","0.0519","","","0.0989","0.114","","","","","","0.993","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106897","17.5701","0.0005","5.6668","0.0002","20.4694","0.0007","90","","96.082","0.002","90","","2026.59","0.12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","1","","Susan L. Zultanski; Gregory C. Fu","Catalytic Asymmetric γ-Alkylation of Carbonyl Compounds via Stereoconvergent Suzuki Cross-Couplings","Journal of the American Chemical Society","2011","133","","15362","15364","10.1021/ja2079515","","","1.54178","CuKα","","0.0506","0.0476","","","0.1306","0.1328","","","","","","1.054","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106898","6.8079","0.0002","10.7683","0.0003","11.1116","0.0003","102.638","0.001","100.045","0.001","94.124","0.001","777.51","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N2 O3 S -","- C14 H20 N2 O3 S -","- C28 H40 N4 O6 S2 -","2","1","","Anupam Mukherjee; Ramesh B. Dateer; Rupsha Chaudhuri; Sabyasachi Bhunia; Somnath Narayan Karad; Rai-Shung Liu","Gold-Catalyzed 1,2-Difunctionalizations of Aminoalkynes Using Only N- and O-Containing Oxidants","Journal of the American Chemical Society","2011","133","","15372","15375","10.1021/ja208150d","","","0.71073","MoKα","","0.0438","0.0356","","","0.0942","0.1002","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106899","17.425","0.008","11.815","0.006","20.949","0.01","90","","111.334","0.007","90","","4017","3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H69 Fe N2 P Si4 -","- C30 H69 Fe N2 P Si4 -","- C120 H276 Fe4 N8 P4 Si16 -","4","1","","Po-Heng Lin; Nathan C. Smythe; Serge I. Gorelsky; Steven Maguire; Neil J. Henson; Ilia Korobkov; Brian L. Scott; John C. Gordon; R. Tom Baker; Muralee Murugesu","Importance of Out-of-State Spin-Orbit Coupling for Slow Magnetic Relaxation in Mononuclear FeII Complexes","Journal of the American Chemical Society","2011","133","","15806","15809","10.1021/ja203845x","","","0.71073","MoKα","","0.1942","0.0711","","","0.1374","0.1944","","","","","","0.926","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106900","11.9184","0.0003","11.9184","0.0003","24.2844","0.0008","90","","90","","90","","3449.56","0.17","200","2","200","2","","","","","","","","6","P 41","P 4w","76","","","","- C22 H60 Fe N2 P2 Si4 -","- C22 H60 Fe N2 P2 Si4 -","- C88 H240 Fe4 N8 P8 Si16 -","4","1","","Po-Heng Lin; Nathan C. Smythe; Serge I. Gorelsky; Steven Maguire; Neil J. Henson; Ilia Korobkov; Brian L. Scott; John C. Gordon; R. Tom Baker; Muralee Murugesu","Importance of Out-of-State Spin-Orbit Coupling for Slow Magnetic Relaxation in Mononuclear FeII Complexes","Journal of the American Chemical Society","2011","133","","15806","15809","10.1021/ja203845x","","","0.71073","MoKα","","0.037","0.0286","","","0.0591","0.0612","","","","","","1.042","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106901","12.0279","0.0009","15.796","0.0012","20.3153","0.0016","90","","90.329","0.001","90","","3859.7","0.5","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H69 Fe N2 P Si4 -","- C30 H69 Fe N2 P Si4 -","- C120 H276 Fe4 N8 P4 Si16 -","4","1","","Po-Heng Lin; Nathan C. Smythe; Serge I. Gorelsky; Steven Maguire; Neil J. Henson; Ilia Korobkov; Brian L. Scott; John C. Gordon; R. Tom Baker; Muralee Murugesu","Importance of Out-of-State Spin-Orbit Coupling for Slow Magnetic Relaxation in Mononuclear FeII Complexes","Journal of the American Chemical Society","2011","133","","15806","15809","10.1021/ja203845x","","","0.71073","MoKα","","0.0606","0.0388","","","0.088","0.096","","","","","","1.124","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106902","16.539","0.006","9.781","0.003","22.109","0.008","90","","108.69","0.005","90","","3388","2","113","","113","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H40 N4 O4 Pt2 -","- C38 H40 N4 O4 Pt2 -","- C152 H160 N16 O16 Pt8 -","4","1","","Naruyoshi Komiya; Takako Muraoka; Masayuki Iida; Maiko Miyanaga; Koichi Takahashi; Takeshi Naota","Ultrasound-Induced Emission Enhancement Based on Structure-Dependent Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum Complexes","Journal of the American Chemical Society","2011","133","","16054","16061","10.1021/ja2039369","","","0.71075","MoKα","","","0.0778","","","","0.2218","","","","","","1.086","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106903","38.64","0.03","9.835","0.006","10.795","0.007","90","","94.461","0.012","90","","4090","5","113","","113","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H52 N4 O4 Pt2 -","- C44 H52 N4 O4 Pt2 -","- C176 H208 N16 O16 Pt8 -","4","1","","Naruyoshi Komiya; Takako Muraoka; Masayuki Iida; Maiko Miyanaga; Koichi Takahashi; Takeshi Naota","Ultrasound-Induced Emission Enhancement Based on Structure-Dependent Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum Complexes","Journal of the American Chemical Society","2011","133","","16054","16061","10.1021/ja2039369","","","0.71075","MoKα","","","0.1044","","","","0.2425","","","","","","1.039","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106904","9.796","0.003","19.219","0.006","20.06","0.006","90","","99.104","0.008","90","","3729","2","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 O4 Pt2 -","- C42 H48 N4 O4 Pt2 -","- C168 H192 N16 O16 Pt8 -","4","1","","Naruyoshi Komiya; Takako Muraoka; Masayuki Iida; Maiko Miyanaga; Koichi Takahashi; Takeshi Naota","Ultrasound-Induced Emission Enhancement Based on Structure-Dependent Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum Complexes","Journal of the American Chemical Society","2011","133","","16054","16061","10.1021/ja2039369","","","0.71075","MoKα","","","0.0782","","","","0.2478","","","","","","1.227","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106905","18.1342","0.0003","21.0565","0.0003","14.0388","0.0002","90","","90","","90","","5360.61","0.14","113","","113","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C57 H78 N4 O4 Pt2 -","- C57 H78 N4 O4 Pt2 -","- C228 H312 N16 O16 Pt8 -","4","1","","Naruyoshi Komiya; Takako Muraoka; Masayuki Iida; Maiko Miyanaga; Koichi Takahashi; Takeshi Naota","Ultrasound-Induced Emission Enhancement Based on Structure-Dependent Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum Complexes","Journal of the American Chemical Society","2011","133","","16054","16061","10.1021/ja2039369","","","0.71075","MoKα","","","0.0306","","","","0.0618","","","","","","1.069","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106906","21.258","0.005","9.278","0.002","19.752","0.005","90","","92.684","0.009","90","","3891.4","1.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Cl2 Co N5 S2 -","- C36 H45 Cl2 Co N5 S2 -","- C144 H180 Cl8 Co4 N20 S8 -","4","1","","Titel Jurca; Ahmed Farghal; Po-Heng Lin; Ilia Korobkov; Muralee Murugesu; Darrin S. Richeson","Single-Molecule Magnet Behavior with a Single Metal Center Enhanced through Peripheral Ligand Modifications","Journal of the American Chemical Society","2011","133","","15814","15817","10.1021/ja204562m","","","0.71073","MoKα","","0.0982","0.0723","","","0.1714","0.1879","","","","","","1.033","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106907","16.2916","0.0005","18.644","0.0006","15.7275","0.0005","90","","90","","90","","4777.1","0.3","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C47 H51 Co N5 O0.5 S2 -","- C47 H51 Co N5 O0.5 S2 -","- C188 H204 Co4 N20 O2 S8 -","4","0.5","","Titel Jurca; Ahmed Farghal; Po-Heng Lin; Ilia Korobkov; Muralee Murugesu; Darrin S. Richeson","Single-Molecule Magnet Behavior with a Single Metal Center Enhanced through Peripheral Ligand Modifications","Journal of the American Chemical Society","2011","133","","15814","15817","10.1021/ja204562m","","","0.71073","MoKα","","0.1705","0.0693","","","0.1064","0.1323","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106908","8.529","0.002","16.795","0.005","9.3511","0.0004","90","","91.695","0.001","90","","1338.9","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 F2 O7 -","- C11 H14 F2 O7 -","- C44 H56 F8 O28 -","4","1","","Seung Seo Lee; Ian R. Greig; David J. Vocadlo; John D. McCarter; Brian O. Patrick; Stephen G. Withers","Structural, Mechanistic, and Computational Analysis of the Effects of Anomeric Fluorines on Anomeric Fluoride Departure in 5-Fluoroxylosyl Fluorides","Journal of the American Chemical Society","2011","133","","15826","15829","10.1021/ja204829r","","","0.71069","MoKα","","0.21","0.0395","","","0.0876","0.1115","","","","","","0.808","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106909","5.6002","0.0009","13.903","0.005","9.208","0.0008","90","","103.04","0.002","90","","698.4","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 F3 O7 -","- C11 H13 F3 O7 -","- C22 H26 F6 O14 -","2","1","","Seung Seo Lee; Ian R. Greig; David J. Vocadlo; John D. McCarter; Brian O. Patrick; Stephen G. Withers","Structural, Mechanistic, and Computational Analysis of the Effects of Anomeric Fluorines on Anomeric Fluoride Departure in 5-Fluoroxylosyl Fluorides","Journal of the American Chemical Society","2011","133","","15826","15829","10.1021/ja204829r","","","0.71069","MoKα","","0.1127","0.0395","","","0.0828","0.0962","","","","","","0.778","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106910","7.9989","0.0009","7.3754","0.0008","11.0744","0.001","90","","91.65","0.01","90","","653.06","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 F2 O7 -","- C11 H14 F2 O7 -","- C22 H28 F4 O14 -","2","1","","Seung Seo Lee; Ian R. Greig; David J. Vocadlo; John D. McCarter; Brian O. Patrick; Stephen G. Withers","Structural, Mechanistic, and Computational Analysis of the Effects of Anomeric Fluorines on Anomeric Fluoride Departure in 5-Fluoroxylosyl Fluorides","Journal of the American Chemical Society","2011","133","","15826","15829","10.1021/ja204829r","","","0.71073","MoKα","","0.0449","0.0385","","","0.0958","0.0985","","","","","","1.022","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106911","8.6224","0.0008","13.421","0.0016","18.0267","0.0013","85.35","0.01","75.23","0.01","83.42","0.01","2000.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 F2 O7 -","- C11 H14 F2 O7 -","- C66 H84 F12 O42 -","6","3","","Seung Seo Lee; Ian R. Greig; David J. Vocadlo; John D. McCarter; Brian O. Patrick; Stephen G. Withers","Structural, Mechanistic, and Computational Analysis of the Effects of Anomeric Fluorines on Anomeric Fluoride Departure in 5-Fluoroxylosyl Fluorides","Journal of the American Chemical Society","2011","133","","15826","15829","10.1021/ja204829r","","","0.71073","MoKα","","0.0767","0.0601","","","0.1566","0.1725","","","","","","1.096","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106912","7.6787","0.0002","16.934","0.0004","18.3591","0.0004","90","","92.984","0.002","90","","2384.02","0.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N5 S2 -","- C28 H19 N5 S2 -","- C112 H76 N20 S8 -","4","1","","Li-Yen Lin; Yi-Hong Chen; Zheng-Yu Huang; Hao-Wu Lin; Shu-Hua Chou; Francis Lin; Chang-Wen Chen; Yi-Hung Liu; Ken-Tsung Wong","A Low-Energy-Gap Organic Dye for High-Performance Small-Molecule Organic Solar Cells","Journal of the American Chemical Society","2011","133","","15822","15825","10.1021/ja205126t","","","1.54178","CuKα","","0.0473","0.0429","","","0.1272","0.1351","","","","","","1.132","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106913","18.411","0.002","9.9589","0.0013","19.122","0.002","90","","105.903","0.008","90","","3371.9","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 O4 -","- C46 H40 O4 -","- C184 H160 O16 -","4","1","","Thomas J. Sisto; Matthew R. Golder; Elizabeth S. Hirst; Ramesh Jasti","Selective Synthesis of Strained [7]Cycloparaphenylene: An Orange-Emitting Fluorophore","Journal of the American Chemical Society","2011","133","","15800","15802","10.1021/ja205606p","","","1.54178","CuKα","","0.0804","0.0585","","","0.1274","0.1471","","","","","","1.047","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106914","15.102","0.004","14.324","0.003","15.194","0.004","90","","92.847","0.004","90","","3282.7","1.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H78 Cl4 N4 O8 -","- C68 H78 Cl4 N4 O8 -","- C136 H156 Cl8 N8 O16 -","2","0.5","","Shinsuke Ishihara; Jonathan P. Hill; Atsuomi Shundo; Gary J. Richards; Jan Labuta; Kei Ohkubo; Shunichi Fukuzumi; Akira Sato; Mark R. J. Elsegood; Simon J. Teat; Katsuhiko Ariga","Reversible Photoredox Switching of Porphyrin-Bridged Bis-2,6-di-tert-butylphenols","Journal of the American Chemical Society","2011","133","","16119","16126","10.1021/ja2056165","","","0.71073","MoKα","","0.056","0.0512","","","0.1355","0.1399","","","","","","1.04","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106915","14.677","0.004","14.833","0.004","17.768","0.005","111.834","0.004","91.375","0.004","113.717","0.004","3218.1","1.5","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H75 N4 O8 -","- C76 H75 N4 O8 -","- C152 H150 N8 O16 -","2","1","","Shinsuke Ishihara; Jonathan P. Hill; Atsuomi Shundo; Gary J. Richards; Jan Labuta; Kei Ohkubo; Shunichi Fukuzumi; Akira Sato; Mark R. J. Elsegood; Simon J. Teat; Katsuhiko Ariga","Reversible Photoredox Switching of Porphyrin-Bridged Bis-2,6-di-tert-butylphenols","Journal of the American Chemical Society","2011","133","","16119","16126","10.1021/ja2056165","","","0.71073","MoKα","","0.0768","0.0667","","","0.1833","0.1943","","","","","","1.048","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106916","19.3034","0.0008","11.7118","0.0004","43.8395","0.0017","90","","90","","90","","9911.1","0.7","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C106 H160 N6 O5.5 -","- C104 H156 N6 O5 -","- C416 H624 N24 O20 -","4","1","","Shinsuke Ishihara; Jonathan P. Hill; Atsuomi Shundo; Gary J. Richards; Jan Labuta; Kei Ohkubo; Shunichi Fukuzumi; Akira Sato; Mark R. J. Elsegood; Simon J. Teat; Katsuhiko Ariga","Reversible Photoredox Switching of Porphyrin-Bridged Bis-2,6-di-tert-butylphenols","Journal of the American Chemical Society","2011","133","","16119","16126","10.1021/ja2056165","","","0.7749","synchrotron","","0.1165","0.0978","","","0.2651","0.2806","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106917","21.1484","0.0012","9.4351","0.0005","27.3906","0.0015","90","","101.053","0.003","90","","5364.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H66 N4 O2 -","- C66 H66 N4 O2 -","- C264 H264 N16 O8 -","4","1","","Shinsuke Ishihara; Jonathan P. Hill; Atsuomi Shundo; Gary J. Richards; Jan Labuta; Kei Ohkubo; Shunichi Fukuzumi; Akira Sato; Mark R. J. Elsegood; Simon J. Teat; Katsuhiko Ariga","Reversible Photoredox Switching of Porphyrin-Bridged Bis-2,6-di-tert-butylphenols","Journal of the American Chemical Society","2011","133","","16119","16126","10.1021/ja2056165","","","0.7749","synchrotron","","0.1511","0.1436","","","0.3606","0.3669","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106918","15.523","0.002","14.8902","0.0019","15.937","0.002","90","","93.327","0.004","90","","3677.5","0.8","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 N4 -","- C50 H36 N4 -","- C200 H144 N16 -","4","1","","Thomas P. Vaid","A Porphyrin with a C=C Unit at Its Center","Journal of the American Chemical Society","2011","133","","15838","15841","10.1021/ja205738z","","","0.71073","MoKα","","0.1002","0.0696","","","","0.1929","","","","","","1.091","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106919","19.287","0.005","17.924","0.005","19.221","0.005","90","","111.26","0.02","90","","6192","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H56 Fe2 N24 O9 S4 -","- C53 H56 Fe2 N24 O9 S4 -","- C212 H224 Fe8 N96 O36 S16 -","4","0.5","","Yann Garcia; François Robert; Anil D. Naik; Guangyuan Zhou; Bernard Tinant; Koen Robeyns; Sébastien Michotte; Luc Piraux","Spin Transition Charted in a Fluorophore-Tagged Thermochromic Dinuclear Iron(II) Complex","Journal of the American Chemical Society","2011","133","","15850","15853","10.1021/ja205974q","","","0.71069","MoKα","","0.0549","0.048","","","0.1217","0.1267","","","","","","1.062","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106920","19.63","0.005","18.131","0.005","19.5","0.005","90","","110.74","0.02","90","","6491","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H56 Fe2 N24 O9 S4 -","- C53 H56 Fe2 N24 O9 S4 -","- C212 H224 Fe8 N96 O36 S16 -","4","0.5","","Yann Garcia; François Robert; Anil D. Naik; Guangyuan Zhou; Bernard Tinant; Koen Robeyns; Sébastien Michotte; Luc Piraux","Spin Transition Charted in a Fluorophore-Tagged Thermochromic Dinuclear Iron(II) Complex","Journal of the American Chemical Society","2011","133","","15850","15853","10.1021/ja205974q","","","0.71069","MoKα","","0.064","0.0523","","","0.1334","0.1405","","","","","","1.019","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106921","19.3751","0.0013","22.2846","0.0019","26.8917","0.0019","90","","93.087","0.005","90","","11594.1","1.5","100","2","100","2","","","","","","","","8","P 1 2/m 1","-P 2y","10","","","","- C189 H107 B3 Br6 F6 N12 O24 Zn6 -","- C189 H107 B3 Br6 F6 N12 O24 Zn6 -","- C189 H107 B3 Br6 F6 N12 O24 Zn6 -","1","0.25","","Chang Yeon Lee; Omar K. Farha; Bong Jin Hong; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Light-Harvesting Metal-Organic Frameworks (MOFs): Efficient Strut-to-Strut Energy Transfer in Bodipy and Porphyrin-Based MOFs","Journal of the American Chemical Society","2011","133","","15858","15861","10.1021/ja206029a","","","1.54178","CuKα","","0.1972","0.0797","","","0.1904","0.2195","","","","","","0.821","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106922","16.6179","0.0016","16.6179","0.0016","22.266","0.004","90","","90","","90","","6148.9","1.4","100","2","100","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C77 H49 B F2 N8 O9 Zn3 -","- C77.12 H50.32 B0.96 F1.92 N8 O9 Zn3 -","- C77.12 H50.32 B0.96 F1.92 N8 O9 Zn3 -","1","0.0625","","Chang Yeon Lee; Omar K. Farha; Bong Jin Hong; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Light-Harvesting Metal-Organic Frameworks (MOFs): Efficient Strut-to-Strut Energy Transfer in Bodipy and Porphyrin-Based MOFs","Journal of the American Chemical Society","2011","133","","15858","15861","10.1021/ja206029a","","","1.54178","CuKα","","0.1009","0.0695","","","0.1715","0.1865","","","","","","0.928","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106923","36.0575","0.0014","26.5202","0.0011","28.8726","0.0013","90","","90","","90","","27609","2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 In40 N9 O8 S66 -","- C2 In40 N9 O8 S66 -","- C8 In160 N36 O32 S264 -","4","0.5","","Tao Wu; Fan Zuo; Le Wang; Xianhui Bu; Shou-Tian Zheng; Richard Ma; Pingyun Feng","A Large Indium Sulfide Supertetrahedral Cluster Built from Integration of ZnS-like Tetrahedral Shell with NaCl-like Octahedral Core","Journal of the American Chemical Society","2011","133","","15886","15889","10.1021/ja2066994","","","0.71073","MoKα","","0.1423","0.0845","","","0.2404","0.3276","","","","","","1.011","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106924","31.108","0.005","15.439","0.003","23.333","0.003","90","","106.151","0.011","90","","10764","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H50 F36 N10 O12 Yb2 -","- C82 H50 F36 N10 O12 Yb2 -","- C328 H200 F144 N40 O48 Yb8 -","4","0.5","","Jean-François Lemonnier; Laure Guénée; César Beuchat; Tomasz A. Wesolowski; Prasun Mukherjee; David H. Waldeck; Kristy A. Gogick; Stéphane Petoud; Claude Piguet","Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide Oligomers: Selection of Rigid Aromatic Spacers","Journal of the American Chemical Society","2011","133","","16219","16234","10.1021/ja206806t","","","0.71073","MoKα","","0.1504","0.0875","","","0.2112","0.2387","","","","","","1.148","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106925","31.076","0.003","15.3146","0.0009","23.392","0.002","90","","106.094","0.007","90","","10696.3","1.6","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H50 F36 N10 O12 Y2 -","- C82 H50 F36 N10 O12 Y2 -","- C328 H200 F144 N40 O48 Y8 -","4","0.5","","Jean-François Lemonnier; Laure Guénée; César Beuchat; Tomasz A. Wesolowski; Prasun Mukherjee; David H. Waldeck; Kristy A. Gogick; Stéphane Petoud; Claude Piguet","Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide Oligomers: Selection of Rigid Aromatic Spacers","Journal of the American Chemical Society","2011","133","","16219","16234","10.1021/ja206806t","","","0.71073","MoKα","","0.1461","0.0923","","","0.2106","0.2267","","","","","","1.312","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106926","12.586","0.0008","12.6093","0.0008","14.5497","0.001","103.816","0.005","93.852","0.005","103.81","0.005","2158.5","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H48 F38 N10 O12 Yb2 -","- C82 H48 F38 N10 O12 Yb2 -","- C82 H48 F38 N10 O12 Yb2 -","1","0.5","","Jean-François Lemonnier; Laure Guénée; César Beuchat; Tomasz A. Wesolowski; Prasun Mukherjee; David H. Waldeck; Kristy A. Gogick; Stéphane Petoud; Claude Piguet","Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide Oligomers: Selection of Rigid Aromatic Spacers","Journal of the American Chemical Society","2011","133","","16219","16234","10.1021/ja206806t","","","0.71069","MoKα","","0.0332","0.0309","","","0.0857","0.0866","","","","","","1.318","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106927","12.1392","0.0007","12.708","0.0007","16.7807","0.001","75.761","0.005","70.952","0.005","65.58","0.004","2209.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H54 Eu2 F36 N10 O14 -","- C84 H54 Eu2 F36 N10 O14 -","- C84 H54 Eu2 F36 N10 O14 -","1","0.5","","Jean-François Lemonnier; Laure Guénée; César Beuchat; Tomasz A. Wesolowski; Prasun Mukherjee; David H. Waldeck; Kristy A. Gogick; Stéphane Petoud; Claude Piguet","Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide Oligomers: Selection of Rigid Aromatic Spacers","Journal of the American Chemical Society","2011","133","","16219","16234","10.1021/ja206806t","","","0.71073","MoKα","","0.0495","0.0381","","","0.0784","0.083","","","","","","0.986","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106928","5.886","0.003","10.628","0.005","29.381","0.012","90","","90","","90","","1838","1.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N2 O5 S -","- C16 H24 N2 O5 S -","- C64 H96 N8 O20 S4 -","4","1","","Li-Tao Shen; Li-Hui Sun; Song Ye","Highly Enantioselective γ-Amination of α,β-Unsaturated Acyl Chlorides with Azodicarboxylates: Efficient Synthesis of Chiral γ-Amino Acid Derivatives","Journal of the American Chemical Society","2011","133","","15894","15897","10.1021/ja206819y","","","0.71073","MoKα","","0.049","0.0457","","","0.1001","0.1027","","","","","","1.099","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106929","18.661","0.003","8.7754","0.0016","7.9279","0.0015","90","","96.648","0.003","90","","1289.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 Br O3 -","- C11 H21 Br O3 -","- C44 H84 Br4 O12 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.0965","0.044","","","0.083","0.0974","","","","","","1.026","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106930","18.191","0.019","8.927","0.009","8.178","0.008","90","","94.08","0.013","90","","1325","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 Br O3 -","- C11 H21 Br O3 -","- C44 H84 Br4 O12 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.2535","0.0737","","","0.1548","0.2064","","","","","","1.001","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106931","17.1453","0.0019","8.5306","0.001","8.3789","0.0009","90","","93.878","0.002","90","","1222.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 Br O3 -","- C11 H21 Br O3 -","- C44 H84 Br4 O12 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.0395","0.0298","","","0.0754","0.0797","","","","","","1.047","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106932","14.5031","0.0015","10.0832","0.001","17.4974","0.0018","90","","102.375","0.002","90","","2499.3","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Br3 O5 -","- C25 H27 Br3 O5 -","- C100 H108 Br12 O20 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.1261","0.0475","","","0.0718","0.0882","","","","","","1.004","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106933","15.255","0.004","8.603","0.002","8.606","0.002","90","","95.675","0.003","90","","1123.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Br O3 -","- C10 H19 Br O3 -","- C40 H76 Br4 O12 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.0449","0.0311","","","0.0643","0.0694","","","","","","1.051","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106934","23.14","0.009","7.323","0.003","8.379","0.003","90","","95.348","0.006","90","","1413.7","0.9","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H24 Br O4.5 -","- C11 H24 Br O4.5 -","- C44 H96 Br4 O18 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.0638","0.039","","","0.0594","0.0652","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106935","5.2374","0.001","8.1373","0.0016","16.775","0.003","87.12","0.003","84.11","0.003","73.262","0.003","680.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H23 Br O3 -","- C12 H23 Br O3 -","- C24 H46 Br2 O6 -","2","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.0997","0.0466","","","0.0706","0.0818","","","","","","1.002","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106936","8.946","0.005","9.455","0.005","9.534","0.005","65.477","0.005","78.997","0.005","77.201","0.005","711","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H20 F N O2 -","- C16 H20 F N O2 -","- C32 H40 F2 N2 O4 -","2","2","","Matthew H. Katcher; Allen Sha; Abigail G. Doyle","Palladium-Catalyzed Regio- and Enantioselective Fluorination of Acyclic Allylic Halides","Journal of the American Chemical Society","2011","133","","15902","15905","10.1021/ja206960k","","","1.54184","CuKα","","0.04","0.0392","","","0.1061","0.1077","","","","","","1.108","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106937","16.6758","0.0006","14.9777","0.0004","15.2925","0.0004","90","","98.774","0.002","90","","3774.8","0.2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 Cl2 N O P2 S2 -","- C40 H39 Cl2 N O P2 S2 -","- C160 H156 Cl8 N4 O4 P8 S8 -","4","1","","Achim Bruch; Roland Fröhlich; Stefan Grimme; Armido Studer; Dennis P. Curran","One Product, Two Pathways: Initially Divergent Radical Reactions Reconverge To Form a Single Product in High Yield","Journal of the American Chemical Society","2011","133","","16270","16276","10.1021/ja2070347","","","1.54178","CuKα","","0.0598","0.0526","","","0.1347","0.141","","","","","","1.038","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106938","11.0072","0.0004","17.2751","0.0005","17.6048","0.0006","90","","90","","90","","3347.56","0.19","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 I2 N O -","- C15 H17 I2 N O -","- C120 H136 I16 N8 O8 -","8","1","","Achim Bruch; Roland Fröhlich; Stefan Grimme; Armido Studer; Dennis P. Curran","One Product, Two Pathways: Initially Divergent Radical Reactions Reconverge To Form a Single Product in High Yield","Journal of the American Chemical Society","2011","133","","16270","16276","10.1021/ja2070347","","","0.71073","MoKα","","0.0935","0.0795","","","0.2079","0.2203","","","","","","1.126","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106939","8.7052","0.0002","9.0837","0.0002","9.9412","0.0003","114.065","0.002","93.81","0.002","97.318","0.001","705.82","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 I N O -","- C15 H18 I N O -","- C30 H36 I2 N2 O2 -","2","1","","Achim Bruch; Roland Fröhlich; Stefan Grimme; Armido Studer; Dennis P. Curran","One Product, Two Pathways: Initially Divergent Radical Reactions Reconverge To Form a Single Product in High Yield","Journal of the American Chemical Society","2011","133","","16270","16276","10.1021/ja2070347","","","0.71073","MoKα","","0.0481","0.0477","","","0.1305","0.1308","","","","","","1.075","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106940","11.2664","0.0007","16.9596","0.0011","22.4797","0.0015","90","","90","","90","","4295.3","0.5","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H63 K O6 Si3 Y -","- C36 H63 K O6 Si3 Y -","- C144 H252 K4 O24 Si12 Y4 -","4","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Synthesis of a Crystalline Molecular Complex of Y2+, [(18-crown-6)K][(C5H4SiMe3)3Y]","Journal of the American Chemical Society","2011","133","","15914","15917","10.1021/ja207151y","","","0.71073","MoKα","","0.0342","0.0275","","","0.0572","0.0592","","","","","","1.013","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106941","8.2062","0.0003","22.2585","0.0007","28.7399","0.0009","90","","90","","90","","5249.6","0.3","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Y -","- C24 H39 Si3 Y -","- C192 H312 Si24 Y8 -","8","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Synthesis of a Crystalline Molecular Complex of Y2+, [(18-crown-6)K][(C5H4SiMe3)3Y]","Journal of the American Chemical Society","2011","133","","15914","15917","10.1021/ja207151y","","","0.71073","MoKα","","0.0341","0.0236","","","0.0527","0.0561","","","","","","1.03","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106942","19.3633","0.0008","15.2696","0.0006","21.0046","0.0009","90","","111.798","0.0005","90","","5766.4","0.4","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H84 N2 O2 Si4 Y2 -","- C54 H84 N2 O2 Si4 Y2 -","- C216 H336 N8 O8 Si16 Y8 -","4","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Synthesis of a Crystalline Molecular Complex of Y2+, [(18-crown-6)K][(C5H4SiMe3)3Y]","Journal of the American Chemical Society","2011","133","","15914","15917","10.1021/ja207151y","","","0.71073","MoKα","","0.0378","0.0279","","","0.065","0.0683","","","","","","1.025","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106943","10.4194","0.0003","13.8223","0.0006","20.0405","0.0005","76.492","0.001","75.028","0.001","82.15","0.002","2702.18","0.16","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H87 Ge N7 O P2 Si -","- C46 H87 Ge N7 O P2 Si -","- C92 H174 Ge2 N14 O2 P4 Si2 -","2","1","","Juliette Berthe; Juan Manuel Garcia; Edgar Ocando; Tsuyoshi Kato; Nathalie Saffon-Merceron; Abel De Cózar; Fernando P. Cossío; Antoine Baceiredo","Synthesis and Reactivity of a Phosphine-Stabilized Monogermanium Analogue of Alkynes","Journal of the American Chemical Society","2011","133","","15930","15933","10.1021/ja2073577","","","0.71073","MoKα","","0.0439","0.0361","","","0.0963","0.1013","","","","","","1.023","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106944","10.0652","0.0009","12.1234","0.0011","20.7037","0.0019","100.199","0.005","93.7","0.004","100.552","0.005","2432.1","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H77 Ge N5 P2 Si -","- C42 H77 Ge N5 P2 Si -","- C84 H154 Ge2 N10 P4 Si2 -","2","1","","Juliette Berthe; Juan Manuel Garcia; Edgar Ocando; Tsuyoshi Kato; Nathalie Saffon-Merceron; Abel De Cózar; Fernando P. Cossío; Antoine Baceiredo","Synthesis and Reactivity of a Phosphine-Stabilized Monogermanium Analogue of Alkynes","Journal of the American Chemical Society","2011","133","","15930","15933","10.1021/ja2073577","","","0.71073","MoKα","","0.0725","0.0524","","","0.1163","0.1264","","","","","","1.184","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106945","12.0149","0.0004","13.333","0.0005","28.4929","0.0009","90","","95.319","0.001","90","","4544.8","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H77 Ge N5 P2 Si -","- C42 H77 Ge N5 P2 Si -","- C168 H308 Ge4 N20 P8 Si4 -","4","1","","Juliette Berthe; Juan Manuel Garcia; Edgar Ocando; Tsuyoshi Kato; Nathalie Saffon-Merceron; Abel De Cózar; Fernando P. Cossío; Antoine Baceiredo","Synthesis and Reactivity of a Phosphine-Stabilized Monogermanium Analogue of Alkynes","Journal of the American Chemical Society","2011","133","","15930","15933","10.1021/ja2073577","","","0.71073","MoKα","","0.055","0.037","","","0.0887","0.0954","","","","","","1.02","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106946","9.8517","0.0004","10.3538","0.0004","22.4488","0.001","85.48","0.001","81.329","0.002","70.626","0.001","2134.46","0.15","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H71 Ge N5 P2 -","- C40 H71 Ge N5 P2 -","- C80 H142 Ge2 N10 P4 -","2","1","","Juliette Berthe; Juan Manuel Garcia; Edgar Ocando; Tsuyoshi Kato; Nathalie Saffon-Merceron; Abel De Cózar; Fernando P. Cossío; Antoine Baceiredo","Synthesis and Reactivity of a Phosphine-Stabilized Monogermanium Analogue of Alkynes","Journal of the American Chemical Society","2011","133","","15930","15933","10.1021/ja2073577","","","0.71073","MoKα","","0.0383","0.0317","","","0.0796","0.0838","","","","","","1.03","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106947","14.8753","0.0012","26.441","0.002","15.4218","0.0015","90","","107.903","0.003","90","","5772","0.9","153","2","153","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C130 H88 Cl5 Li N4 S24 -","- C129 H86 Cl3 Li N4 S24 -","- C258 H172 Cl6 Li2 N8 S48 -","2","0.5","","Shunichi Fukuzumi; Kei Ohkubo; Yuki Kawashima; Dong Sub Kim; Jung Su Park; Atanu Jana; Vincent M. Lynch; Dongho Kim; Jonathan L. Sessler","Ion-Controlled On-Off Switch of Electron Transfer from Tetrathiafulvalene Calix[4]pyrroles to Li+@C60","Journal of the American Chemical Society","2011","133","","15938","15941","10.1021/ja207588c","","","0.71075","MoKα","","0.1064","0.071","","","0.1919","0.2056","","","","","","1.282","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106948","10.111","0.0003","17.9859","0.0006","21.638","0.0007","66.504","0.001","77.043","0.001","85.474","0.001","3516.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H36 Ir N O23 P2 Ru6 -","- C65 H36 Ir N O23 P2 Ru6 -","- C130 H72 Ir2 N2 O46 P4 Ru12 -","2","1","","Richard D. Adams; Qiang Zhang; Xinzheng Yang","Two-Dimensional Bimetallic Carbonyl Cluster Complexes with New Properties and Reactivities","Journal of the American Chemical Society","2011","133","","15950","15953","10.1021/ja207840w","","","0.71073","MoKα","","0.0853","0.05","","","0.1248","0.1501","","","","","","1.069","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106949","10.624","0.002","13.983","0.003","17.735","0.004","68.36","0.004","88.205","0.004","80.33","0.004","2412.8","0.9","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H22 Au Ir O20 P Ru5 -","- C41 H22 Au Ir O20 P Ru5 -","- C82 H44 Au2 Ir2 O40 P2 Ru10 -","2","1","","Richard D. Adams; Qiang Zhang; Xinzheng Yang","Two-Dimensional Bimetallic Carbonyl Cluster Complexes with New Properties and Reactivities","Journal of the American Chemical Society","2011","133","","15950","15953","10.1021/ja207840w","","","0.71073","MoKα","","0.113","0.0736","","","0.1689","0.1813","","","","","","1.029","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106950","18.615","0.007","18.615","0.007","36.321","0.014","90","","90","","90","","12586","8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","MMPF-1","","","- C36 H16 Cu3 N4 O10 -","- C36 H16 Cu3 N4 O10 -","- C288 H128 Cu24 N32 O80 -","8","0.5","","Xi-Sen Wang; Le Meng; Qigan Cheng; Chungsik Kim; Lukasz Wojtas; Matthew Chrzanowski; Yu-Sheng Chen; X. Peter Zhang; Shengqian Ma","Three-Dimensional Porous Metal-Metalloporphyrin Framework Consisting of Nanoscopic Polyhedral Cages","Journal of the American Chemical Society","2011","133","","16322","16325","10.1021/ja204339e","","","0.40663","synchrotron","","0.1772","0.096","","","0.2042","0.2186","","","","","","1.019","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106951","29.29","0.006","29.29","0.006","21.799","0.007","90","","90","","120","","16196","7","90","2","90","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C120 H97 N12 O0.5 -","- C120 H96 N12 O0.5 -","- C720 H576 N72 O3 -","6","0.666667","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.6889","","","0.1363","0.0649","","","0.1453","0.1808","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106952","29.494","0.005","29.494","0.005","11.036","0.003","90","","90","","120","","8314","3","298","2","298","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C120 H96 N12 -","- C120 H96 N12 -","- C360 H288 N36 -","3","0.333333","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.6889","","","0.0867","0.0421","","","0.0807","0.0947","","","","","","0.986","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106953","29.175","0.008","29.175","0.008","10.882","0.004","90","","90","","120","","8022","4","90","2","90","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C120 H96 N17 -","- C120 H96 N17 -","- C360 H288 N51 -","3","0.333333","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.6889","","","0.116","0.0641","","","0.149","0.1783","","","","","","1.014","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106954","30.587","0.002","30.587","0.002","21.553","0.002","90","","90","","120","","17463","2","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C124.5 H89.5 Cl13.5 F12 N12 O0.5 -","- C124.5 H88 Cl13.17 F12 N12 O0.495 -","- C747 H528 Cl79.02 F72 N72 O2.97 -","6","0.666667","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.71073","MoKα","","0.1229","0.0828","","","0.2118","0.2298","","","","","","1.249","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106955","30.128","0.005","30.128","0.005","20.746","0.004","90","","90","","120","","16308","5","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C120 H84 Cl0 F12 N13 -","- C120 H84 F12 N12.99 -","- C720 H504 F72 N77.94 -","6","0.333333","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.71073","MoKα","","0.1161","0.0535","","","0.1076","0.1347","","","","","","1.027","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106956","21.886","0.005","13.965","0.005","18.903","0.003","90","","103.017","0.018","90","","5629","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H37 B18 Co N O P -","- C14 H37 B18 Co N O P -","- C112 H296 B144 Co8 N8 O8 P8 -","8","1","","Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas","Relaxed but Highly Compact Diansa Metallacyclophanes","Journal of the American Chemical Society","2011","133","","16537","16552","10.1021/ja205850p","","","0.71069","MoKα","","0.1228","0.0505","","","0.1151","0.1394","","","","","","1.016","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106957","10.6695","0.0004","14.5788","0.0006","17.5974","0.0006","90","","90","","90","","2737.25","0.18","173","2","173","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H37 B18 Co N P S -","- C14 H37 B18 Co N P S -","- C56 H148 B72 Co4 N4 P4 S4 -","4","1","","Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas","Relaxed but Highly Compact Diansa Metallacyclophanes","Journal of the American Chemical Society","2011","133","","16537","16552","10.1021/ja205850p","","x-ray","0.71073","MoKα","","0.0747","0.0542","","","0.1035","0.1111","","","","","","1.024","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106958","10.436","0.0003","11.2927","0.0003","23.4638","0.0007","90","","90","","90","","2765.22","0.14","173","2","173","2","","","","","","","synthesis as described","7","P 21 n b","P -2bc 2a","33","","","","- C14 H37 B18 Co N P Se -","- C14 H37 B18 Co N P Se -","- C56 H148 B72 Co4 N4 P4 Se4 -","4","1","","Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas","Relaxed but Highly Compact Diansa Metallacyclophanes","Journal of the American Chemical Society","2011","133","","16537","16552","10.1021/ja205850p","","x-ray","0.71073","MoKα","","0.0713","0.053","","","0.0993","0.1043","","","","","","1.121","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106959","10.508","0.003","15.676","0.003","20.258","0.007","90","","90.323","0.002","90","","3336.9","1.6","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C20.8 H40.6 B18 Cl1.6 Co N P -","- C20.8 H40.6 B18 Cl1.6 Co N P -","- C83.2 H162.4 B72 Cl6.4 Co4 N4 P4 -","4","1","","Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas","Relaxed but Highly Compact Diansa Metallacyclophanes","Journal of the American Chemical Society","2011","133","","16537","16552","10.1021/ja205850p","","x-ray","0.71073","MoKα","","0.0728","0.0635","","","0.1471","0.1508","","","","","","1.143","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106960","5.6446","0.0016","7.425","0.002","14.514","0.004","90","","90","","90","","608.3","0.3","173","2","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B H5 N Na -","- B H5 N Na -","- B8 H40 N8 Na8 -","8","1","","David J. Wolstenholme; James T. Titah; Franklin N. Che; Kyle T. Traboulsee; Jenna Flogeras; G. Sean McGrady","Homopolar Dihydrogen Bonding in Alkali-Metal Amidoboranes and Its Implications for Hydrogen Storage","Journal of the American Chemical Society","2011","133","","16598","16604","10.1021/ja206357a","","x-ray","0.71073","MoKα","","0.0351","0.0318","","","0.0919","0.0946","","","","","","1.249","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106961","17.7727","0.0008","12.6382","0.0006","8.1349","0.0004","90","","90","","90","","1827.22","0.15","296","2","296","2","","","","","","","","2","C m c 21","C 2c -2","36","","","","- C32 H12 -","- C32 H12 -","- C128 H48 -","4","0.5","","Tsun-Cheng Wu; Hsin-Ju Hsin; Ming-Yu Kuo; Ching-Hsiu Li; Yao-Ting Wu","Synthesis and Structural Analysis of a Highly Curved Buckybowl Containing Corannulene and Sumanene Fragments","Journal of the American Chemical Society","2011","133","","16319","16321","10.1021/ja2067725","","","0.71073","MoKα","","0.0414","0.0328","","","0.077","0.0819","","","","","","1.051","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4106962","20.405","0.012","23.455","0.014","7.762","0.004","90","","90","","90","","3715","4","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C30 H16 -","- C30 H16 -","- C240 H128 -","8","2","","Tsun-Cheng Wu; Hsin-Ju Hsin; Ming-Yu Kuo; Ching-Hsiu Li; Yao-Ting Wu","Synthesis and Structural Analysis of a Highly Curved Buckybowl Containing Corannulene and Sumanene Fragments","Journal of the American Chemical Society","2011","133","","16319","16321","10.1021/ja2067725","","","0.71073","MoKα","","0.103","0.0643","","","0.1613","0.1941","","","","","","1.034","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106963","26.1743","0.0006","19.2424","0.0005","29.4693","0.0006","90","","98.154","0.001","90","","14692.3","0.6","173","2","173","2","","","","","","","synthesis as described","8","P 1 21/a 1","-P 2yab","14","TLC127 CH2Cl2/Et2O","","","- C60 H72 Ag2 Au2 F22 I4 N2 O4 -","- C60 H72 Ag2 Au2 F22 I4 N2 O4 -","- C480 H576 Ag16 Au16 F176 I32 N16 O32 -","8","2","","Tania Lasanta; M. Elena Olmos; Antonio Laguna; José M. López-de-Luzuriaga; Panče Naumov","Making the Golden Connection: Reversible Mechanochemical and Vapochemical Switching of Luminescence from Bimetallic Gold-Silver Clusters Associated through Aurophilic Interactions","Journal of the American Chemical Society","2011","133","","16358","16361","10.1021/ja206845s","","x-ray","0.71073","MoKα","","0.154","0.0583","","","0.0726","0.0917","","","","","","1.011","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106964","16.6596","0.0004","16.748","0.0005","30.2716","0.0007","82.674","0.001","84.783","0.001","61.23","0.001","7338.9","0.3","120","2","120","2","","","","","","","synthesis as described","9","P -1","-P 1","2","TLC 124 (thf/hx)","","","- C58 H76 Ag2 Au2 Cl2 F16 I4 N2 O8.5 -","- C58 H76 Ag2 Au2 Cl2 F16 I4 N2 O8.5 -","- C232 H304 Ag8 Au8 Cl8 F64 I16 N8 O34 -","4","2","","Tania Lasanta; M. Elena Olmos; Antonio Laguna; José M. López-de-Luzuriaga; Panče Naumov","Making the Golden Connection: Reversible Mechanochemical and Vapochemical Switching of Luminescence from Bimetallic Gold-Silver Clusters Associated through Aurophilic Interactions","Journal of the American Chemical Society","2011","133","","16358","16361","10.1021/ja206845s","","x-ray","0.71073","MoKα","","0.1038","0.0672","","","0.1863","0.2381","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106965","7.695","0.0016","15.938","0.004","16.894","0.004","90","","90","","90","","2071.9","0.8","293","2","293","2","","","","","","","","7","P n n n :2","-P 2ab 2bc","48","","","","- C14 H3 Ag Au F8 I2 N -","- C14 H3 Ag Au F8 I2 N -","- C56 H12 Ag4 Au4 F32 I8 N4 -","4","0.5","","Tania Lasanta; M. Elena Olmos; Antonio Laguna; José M. López-de-Luzuriaga; Panče Naumov","Making the Golden Connection: Reversible Mechanochemical and Vapochemical Switching of Luminescence from Bimetallic Gold-Silver Clusters Associated through Aurophilic Interactions","Journal of the American Chemical Society","2011","133","","16358","16361","10.1021/ja206845s","","","0.71073","MoKα","","0.0398","0.0283","","","0.0746","0.082","","","","","","1.052","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106966","11.0028","0.0013","11.2698","0.0018","16.858","0.003","77.318","0.01","79.42","0.009","60.821","0.006","1773.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 Fe P3 Si -","- C36 H54 Fe P3 Si -","- C72 H108 Fe2 P6 Si2 -","2","1","","Yunho Lee; R. Adam Kinney; Brian M. Hoffman; Jonas C. Peters","A Nonclassical Dihydrogen Adduct of S=1/2 Fe(I)","Journal of the American Chemical Society","2011","133","","16366","16369","10.1021/ja207003m","","","1.54178","CuKα","","0.0615","0.053","","","0.1452","0.1508","","","","","","1.121","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106967","11.0008","0.0005","11.2664","0.0006","16.8497","0.0008","92.527","0.001","100.465","0.001","119.164","0.001","1771.76","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 Fe P3 Si -","- C36 H54 Fe P3 Si -","- C72 H108 Fe2 P6 Si2 -","2","1","","Yunho Lee; R. Adam Kinney; Brian M. Hoffman; Jonas C. Peters","A Nonclassical Dihydrogen Adduct of S=1/2 Fe(I)","Journal of the American Chemical Society","2011","133","","16366","16369","10.1021/ja207003m","","","0.71073","MoKα","","0.0473","0.0326","","","0.0812","0.0874","","","","","","1.095","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106968","36.6124","0.0008","11.7648","0.0002","17.2209","0.0003","90","","104.186","0.001","90","","7191.5","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H55 Fe N2 P3 Si -","- C36 H55 Fe N2 P3 Si -","- C288 H440 Fe8 N16 P24 Si8 -","8","1","","Yunho Lee; R. Adam Kinney; Brian M. Hoffman; Jonas C. Peters","A Nonclassical Dihydrogen Adduct of S=1/2 Fe(I)","Journal of the American Chemical Society","2011","133","","16366","16369","10.1021/ja207003m","","","1.54178","CuKα","","0.0291","0.0283","","","0.074","0.0746","","","","","","1.041","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106969","18.066","0.013","13.115","0.009","21.94","0.016","90","","106.26","0.01","90","","4990","6","138","2","138","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H60 B P3 Ru Si -","- C59 H60 B P3 Ru Si -","- C236 H240 B4 P12 Ru4 Si4 -","4","1","","Mark C. Lipke; T. Don Tilley","High Electrophilicity at Silicon in η3-Silane σ-Complexes: Lewis Base Adducts of a Silane Ligand, Featuring Octahedral Silicon and Three Ru-H-Si Interactions","Journal of the American Chemical Society","2011","133","","16374","16377","10.1021/ja207169e","","","0.71073","MoKα","","0.0947","0.0517","","","0.1216","0.1423","","","","","","1.181","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106970","13.4177","0.0016","24.646","0.003","20.125","0.002","90","","95.752","0.003","90","","6621.7","1.3","158","2","158","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H71 B N2 P3 Ru Si -","- C71 H71 B N2 P3 Ru Si -","- C284 H284 B4 N8 P12 Ru4 Si4 -","4","1","","Mark C. Lipke; T. Don Tilley","High Electrophilicity at Silicon in η3-Silane σ-Complexes: Lewis Base Adducts of a Silane Ligand, Featuring Octahedral Silicon and Three Ru-H-Si Interactions","Journal of the American Chemical Society","2011","133","","16374","16377","10.1021/ja207169e","","","0.71073","MoKα","","0.0454","0.0409","","","0.0976","0.0998","","","","","","1.135","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106971","14.1289","0.0008","20.8168","0.0012","16.9097","0.001","90","","90.946","0.001","90","","4972.8","0.5","138","2","138","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H58 B Cl P4 Ru Si -","- C54 H58 B Cl P4 Ru Si -","- C216 H232 B4 Cl4 P16 Ru4 Si4 -","4","1","","Mark C. Lipke; T. Don Tilley","High Electrophilicity at Silicon in η3-Silane σ-Complexes: Lewis Base Adducts of a Silane Ligand, Featuring Octahedral Silicon and Three Ru-H-Si Interactions","Journal of the American Chemical Society","2011","133","","16374","16377","10.1021/ja207169e","","","0.71073","MoKα","","0.063","0.0414","","","0.0921","0.1054","","","","","","1.057","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106972","9.2095","0.0004","11.1209","0.0004","9.1577","0.0003","90","","110.026","0.0015","90","","881.2","0.06","150","","150","","","","","","","","synthetic","4","P 1 21/c 1","-P 2ybc","14","","6-Bromo-2,3-dimethoxyphenol","","- C8 H9 Br O3 -","- C8 H9 Br O3 -","- C32 H36 Br4 O12 -","4","1","","Donohoe, Timothy J.; Jones, Christopher R.; Barbosa, Luiz C. A.","Total Synthesis of (±)-Streptonigrin: De Novo Construction of a Pentasubstituted Pyridine using Ring-Closing Metathesis","Journal of the American Chemical Society","2011","133","41","16418","16421","10.1021/ja207835w","","","0.71073","MoKα","","0.0309","0.0267","","0.0636","0.0609","0.0636","","","","","","0.9017","","","","has coordinates","210874","2020-10-21","18:00:00",""
"4106973","9.4956","0.0003","12.5285","0.0005","21.3048","0.0007","90","","95.4317","0.0018","90","","2523.16","0.15","150","","150","","","","","","","","synthetic","6","C 1 2/c 1","-C 2yc","15","","Methyl 5-amino-3-methyl-6-(trifluoromethylsulfonyloxy)picolinate","","- C9 H9 F3 N2 O5 S -","- C9 H9 F3 N2 O5 S -","- C72 H72 F24 N16 O40 S8 -","8","1","","Donohoe, Timothy J.; Jones, Christopher R.; Barbosa, Luiz C. A.","Total Synthesis of (±)-Streptonigrin: De Novo Construction of a Pentasubstituted Pyridine using Ring-Closing Metathesis","Journal of the American Chemical Society","2011","133","41","16418","16421","10.1021/ja207835w","","","0.71073","MoKα","","0.0755","0.0468","","0.1199","0.1064","0.1199","","","","","","0.9341","","","","has coordinates","210874","2020-10-21","18:00:00",""
"4106974","11.9561","0.0005","12.5574","0.0005","23.2405","0.001","90","","90","","90","","3489.3","0.3","88","2","88","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H45 Br O5 Si -","- C28 H45 Br O5 Si -","- C112 H180 Br4 O20 Si4 -","4","1","","Martin J. Schnermann; Larry E. Overman","Enantioselective Total Synthesis of Aplyviolene","Journal of the American Chemical Society","2011","133","","16425","16427","10.1021/ja208018s","","","0.71073","MoKα","","0.0558","0.0481","","","0.1417","0.1466","","","","","","1.075","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106975","11.5868","0.0011","16.3974","0.0016","21.272","0.002","90","","90","","90","","4041.5","0.7","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H36 Cl F3 Ni P2 -","- C51.001 H36 Cl F3.003 Ni P2 -","- C204.004 H144 Cl4 F12.012 Ni4 P8 -","4","1","","Shaozhong Ge; John F. Hartwig","Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions","Journal of the American Chemical Society","2011","133","","16330","16333","10.1021/ja2082087","","","0.71073","MoKα","","0.0385","0.0313","","","0.0723","0.0754","","","","","","1.04","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106976","10.764","0.003","11.55","0.003","17.936","0.004","90","","93.857","0.003","90","","2224.8","1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H45 N Ni P2 -","- C58 H45 N Ni P2 -","- C116 H90 N2 Ni2 P4 -","2","1","","Shaozhong Ge; John F. Hartwig","Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions","Journal of the American Chemical Society","2011","133","","16330","16333","10.1021/ja2082087","","","0.71073","MoKα","","0.038","0.034","","","0.0894","0.0926","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106977","13.9103","0.0005","13.9103","0.0005","35.535","0.003","90","","90","","90","","6875.9","0.7","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C88 H64 Cl2 Ni2 P4 -","- C88 H64 Cl2 Ni2 P4 -","- C352 H256 Cl8 Ni8 P16 -","4","0.5","","Shaozhong Ge; John F. Hartwig","Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions","Journal of the American Chemical Society","2011","133","","16330","16333","10.1021/ja2082087","","","1.54178","CuKα","","0.0459","0.0358","","","0.0777","0.0815","","","","","","1.032","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106978","13.915","0.0002","13.915","0.0002","35.875","0.0008","90","","90","","90","","6946.4","0.2","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C88 H64 Br2 Ni2 P4 -","- C88 H64 Br2 Ni2 P4 -","- C352 H256 Br8 Ni8 P16 -","4","0.5","","Shaozhong Ge; John F. Hartwig","Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions","Journal of the American Chemical Society","2011","133","","16330","16333","10.1021/ja2082087","","","1.54178","CuKα","","0.0356","0.034","","","0.0911","0.0923","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106979","38.2242","0.0015","10.3105","0.0004","11.7769","0.0005","90","","93.41","0.001","90","","4633.2","0.3","120","","120","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H27 F5 Si3 -","- C19 H27 F5 Si3 -","- C152 H216 F40 Si24 -","8","2","","Yusuke Inagaki; Masaaki Nakamoto; Akira Sekiguchi","Photoisomerization of Perfluoroaryltetrahedranes to Perfluoroarylcyclobutadienes","Journal of the American Chemical Society","2011","133","","16436","16439","10.1021/ja208354x","","","0.71073","MoKα","","0.0285","0.0269","","","0.0662","0.0673","","","","","","1.011","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106980","8.9064","0.00016","9.63387","0.00018","22.8974","0.0004","90","","90","","90","","1964.67","0.06","93.1","","93","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 F O Si -","- C25 H23 F O Si -","- C100 H92 F4 O4 Si4 -","4","1","","Ryo Shintani; Kohei Moriya; Tamio Hayashi","Palladium-Catalyzed Enantioselective Desymmetrization of Silacyclobutanes: Construction of Silacycles Possessing a Tetraorganosilicon Stereocenter","Journal of the American Chemical Society","2011","133","","16440","16443","10.1021/ja208621x","","","1.54187","CuKα","","","0.0435","","","","0.0625","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106981","8.60096","0.00017","9.3243","0.0002","14.184","0.0003","81.4897","0.0015","72.9482","0.0013","77.9686","0.0013","1059.03","0.04","93.1","","93","1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 B O3 Si -","- C25 H27 B O3 Si -","- C50 H54 B2 O6 Si2 -","2","1","","Ryo Shintani; Kohei Moriya; Tamio Hayashi","Palladium-Catalyzed Enantioselective Desymmetrization of Silacyclobutanes: Construction of Silacycles Possessing a Tetraorganosilicon Stereocenter","Journal of the American Chemical Society","2011","133","","16440","16443","10.1021/ja208621x","","","1.54187","CuKα","","","0.0656","","","","0.0968","","","","","","0.946","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106982","16.493","0.002","6.9716","0.0009","17.778","0.002","90","","116.838","0.003","90","","1824","0.4","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl Fe N4 O4 -","- C16 H20 Cl Fe N4 O4 -","- C64 H80 Cl4 Fe4 N16 O16 -","4","1","","Timothy C. Berto; Melissa B. Hoffman; Yuki Murata; Kira B. Landenberger; E. Ercan Alp; Jiyong Zhao; Nicolai Lehnert","Structural and Electronic Characterization of Non-Heme Fe(II)-Nitrosyls as Biomimetic Models of the FeB Center of Bacterial Nitric Oxide Reductase","Journal of the American Chemical Society","2011","133","","16714","16717","10.1021/ja111693f","","","0.71073","MoKα","","0.033","0.0285","","","0.076","0.0794","","","","","","1.052","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106983","20.0612","0.0003","20.0612","0.0003","81.585","0.006","90","","90","","120","","28435","2","85","2","85","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C270 H288 Cl10 Fe18 N72 O94 -","- C270 H288 Cl10 Fe18 N72 O94.04 -","- C810 H864 Cl30 Fe54 N216 O282.12 -","3","0.166667","","Timothy C. Berto; Melissa B. Hoffman; Yuki Murata; Kira B. Landenberger; E. Ercan Alp; Jiyong Zhao; Nicolai Lehnert","Structural and Electronic Characterization of Non-Heme Fe(II)-Nitrosyls as Biomimetic Models of the FeB Center of Bacterial Nitric Oxide Reductase","Journal of the American Chemical Society","2011","133","","16714","16717","10.1021/ja111693f","","","1.54178","CuKα","","0.0885","0.073","","","0.2091","0.2205","","","","","","1.045","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106984","13.3105","0.0006","14.7822","0.0006","16.8328","0.0012","104.135","0.007","92.301","0.006","102.284","0.007","3123.3","0.3","95","2","95","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H98 F18 Fe6 N24 O37 S6 -","- C96 H96 F18 Fe6 N24 O37 S6 -","- C96 H96 F18 Fe6 N24 O37 S6 -","1","0.5","","Timothy C. Berto; Melissa B. Hoffman; Yuki Murata; Kira B. Landenberger; E. Ercan Alp; Jiyong Zhao; Nicolai Lehnert","Structural and Electronic Characterization of Non-Heme Fe(II)-Nitrosyls as Biomimetic Models of the FeB Center of Bacterial Nitric Oxide Reductase","Journal of the American Chemical Society","2011","133","","16714","16717","10.1021/ja111693f","","","1.54187","CuKα","","0.1635","0.107","","","0.2475","0.2819","","","","","","1.134","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106985","26.307","0.002","26.307","0.002","26.307","0.002","90","","90","","90","","18206","2","173","2","173","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C77 H30 Cu13 N1.25 O110.56 P W11 -","- C76.96 H29.76 Cu12.96 N1.25 O110.56 P W11.04 -","- C307.84 H119.04 Cu51.84 N5 O442.24 P4 W44.16 -","4","0.0208333","","Jie Song; Zhen Luo; David K. Britt; Hiroyasu Furukawa; Omar M. Yaghi; Kenneth I. Hardcastle; Craig L. Hill","A Multiunit Catalyst with Synergistic Stability and Reactivity: A Polyoxometalate-Metal Organic Framework for Aerobic Decontamination","Journal of the American Chemical Society","2011","133","","16839","16846","10.1021/ja203695h","","","0.71073","MoKα","","0.0872","0.0567","","","0.1788","0.2468","","","","","","1.04","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106986","25.108","0.005","15.372","0.003","20.633","0.004","90","","94.469","0.002","90","","7939","3","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm2@C88.Ni(OEP).2toluene D2(No. 35)","","","- C138 H60 N4 Ni Sm2 -","- C138.88 H60 N4 Ni Sm2 -","- C555.52 H240 N16 Ni4 Sm8 -","4","0.5","","Hua Yang; Hongxiao Jin; Bo Hong; Ziyang Liu; Christine M. Beavers; Hongyu Zhen; Zhimin Wang; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Large Endohedral Fullerenes Containing Two Metal Ions, Sm2@D2(35)-C88, Sm2@C1(21)-C90, and Sm2@D3(85)-C92, and Their Relationship to Endohedral Fullerenes Containing Two Gadolinium Ions","Journal of the American Chemical Society","2011","133","","16911","16919","10.1021/ja206244w","","","0.6889","synchrotron","","0.0652","0.0604","","","0.1661","0.1709","","","","","","1.048","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106987","25.442","0.0013","15.4299","0.0008","20.6732","0.0011","90","","95.291","0.005","90","","8081","0.7","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm2@C1(21)-C90.Ni(OEP).2toluene","","","- C140 H60 N4 Ni Sm2 -","- C136.5 H57 N4 Ni Sm2.02 -","- C546 H228 N16 Ni4 Sm8.08 -","4","0.5","","Hua Yang; Hongxiao Jin; Bo Hong; Ziyang Liu; Christine M. Beavers; Hongyu Zhen; Zhimin Wang; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Large Endohedral Fullerenes Containing Two Metal Ions, Sm2@D2(35)-C88, Sm2@C1(21)-C90, and Sm2@D3(85)-C92, and Their Relationship to Endohedral Fullerenes Containing Two Gadolinium Ions","Journal of the American Chemical Society","2011","133","","16911","16919","10.1021/ja206244w","","","0.7749","synchrotron","","0.1121","0.1022","","","0.2917","0.3027","","","","","","1.047","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106988","25.587","0.0009","14.9402","0.0006","21.3995","0.0007","90","","97.638","0.002","90","","8107.9","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Sm2@C92.NiOEP.2chlorobenzene D3(No. 85)","","","- C140 H54 Cl2 N4 Ni Sm2 -","- C142 H54 Cl2 N4 Ni Sm2.02 -","- C568 H216 Cl8 N16 Ni4 Sm8.08 -","4","0.5","","Hua Yang; Hongxiao Jin; Bo Hong; Ziyang Liu; Christine M. Beavers; Hongyu Zhen; Zhimin Wang; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Large Endohedral Fullerenes Containing Two Metal Ions, Sm2@D2(35)-C88, Sm2@C1(21)-C90, and Sm2@D3(85)-C92, and Their Relationship to Endohedral Fullerenes Containing Two Gadolinium Ions","Journal of the American Chemical Society","2011","133","","16911","16919","10.1021/ja206244w","","","0.7749","synchrotron","","0.0636","0.0473","","","0.1282","0.1412","","","","","","1.017","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106989","10.661","0.005","12.575","0.006","12.995","0.006","101.54","0.006","109.121","0.006","108.587","0.006","1467.2","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 Mn6 N19 -","- C58 H66 Mn6 N19 -","- C58 H66 Mn6 N19 -","1","0.5","","Alison R. Fout; Qinliang Zhao; Dianne J. Xiao; Theodore A. Betley","Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn6(μ6-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities","Journal of the American Chemical Society","2011","133","","16750","16753","10.1021/ja2066384","","","0.71073","MoKα","","0.1455","0.0706","","","0.1755","0.2051","","","","","","0.977","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106990","12.401","0.002","13.0834","0.0016","13.8401","0.0014","73.935","0.007","77.584","0.007","62.279","0.006","1900.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H56 Mn3 N6 O4 -","- C39 H56 Mn3 N6 O4 -","- C78 H112 Mn6 N12 O8 -","2","1","","Alison R. Fout; Qinliang Zhao; Dianne J. Xiao; Theodore A. Betley","Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn6(μ6-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities","Journal of the American Chemical Society","2011","133","","16750","16753","10.1021/ja2066384","","","0.71073","MoKα","","0.0647","0.0435","","","0.1049","0.1173","","","","","","1.033","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106991","10.6564","0.0013","12.5789","0.0015","12.9979","0.0016","101.538","0.002","109.132","0.002","108.614","0.002","1466.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H66 Mn6 N18 O -","- C58 H66 Mn6 N18 O -","- C58 H66 Mn6 N18 O -","1","0.5","","Alison R. Fout; Qinliang Zhao; Dianne J. Xiao; Theodore A. Betley","Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn6(μ6-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities","Journal of the American Chemical Society","2011","133","","16750","16753","10.1021/ja2066384","","","0.71073","MoKα","","0.052","0.0382","","","0.0891","0.0957","","","","","","1.022","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106992","20.907","0.0016","16.1996","0.0016","24.338","0.002","90","","90.638","0.002","90","","8242.4","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C82 H126 Mn6 N17 -","- C82 H126 Mn6 N17 -","- C328 H504 Mn24 N68 -","4","0.5","","Alison R. Fout; Qinliang Zhao; Dianne J. Xiao; Theodore A. Betley","Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn6(μ6-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities","Journal of the American Chemical Society","2011","133","","16750","16753","10.1021/ja2066384","","","0.71073","MoKα","","0.0501","0.0372","","","0.0952","0.1021","","","","","","1.081","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106993","14.0111","0.0016","14.0448","0.0016","15.648","0.003","95.488","0.002","103.923","0.002","116.907","0.002","2589.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C114 H156 Mn6 N15 -","- C114 H156 Mn6 N15 -","- C114 H156 Mn6 N15 -","1","0.5","","Alison R. Fout; Qinliang Zhao; Dianne J. Xiao; Theodore A. Betley","Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn6(μ6-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities","Journal of the American Chemical Society","2011","133","","16750","16753","10.1021/ja2066384","","","0.71073","MoKα","","0.0894","0.0482","","","0.1004","0.115","","","","","","0.981","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106994","9.387","0.0004","16.209","0.0004","15.153","0.0005","90","","97.63","0.002","90","","2285.17","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Br Cl2 P S2 -","- C22 H18 Br Cl2 P S2 -","- C88 H72 Br4 Cl8 P4 S8 -","4","1","","Yi Ren; Wang Hay Kan; Matthew A. Henderson; Paolo G. Bomben; Curtis P. Berlinguette; Venkataraman Thangadurai; Thomas Baumgartner","External-Stimuli Responsive Photophysics and Liquid Crystal Properties of Self-Assembled ""Phosphole-Lipids""","Journal of the American Chemical Society","2011","133","","17014","17026","10.1021/ja206784f","","","0.71073","MoKα","","0.0811","0.0579","","","0.1224","0.1404","","","","","","1.088","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106995","10.435","0.0003","18.348","0.0005","12.507","0.0004","90","","102.31","0.002","90","","2339.55","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Br Cl3 P S2 -","- C22 H17 Br Cl3 P S2 -","- C88 H68 Br4 Cl12 P4 S8 -","4","1","","Yi Ren; Wang Hay Kan; Matthew A. Henderson; Paolo G. Bomben; Curtis P. Berlinguette; Venkataraman Thangadurai; Thomas Baumgartner","External-Stimuli Responsive Photophysics and Liquid Crystal Properties of Self-Assembled ""Phosphole-Lipids""","Journal of the American Chemical Society","2011","133","","17014","17026","10.1021/ja206784f","","","0.71073","MoKα","","0.0656","0.0463","","","0.0848","0.0955","","","","","","1.091","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106996","10.1647","0.0004","10.5937","0.0004","14.4332","0.0006","76.103","0.001","71.008","0.001","82.129","0.001","1423.64","0.1","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H44 O2 P2 Pd -","- C28 H44 O2 P2 Pd -","- C56 H88 O4 P4 Pd2 -","2","1","","Ruwei Shen; Tieqiao Chen; Yalei Zhao; Renhua Qiu; Yongbo Zhou; Shuangfeng Yin; Xiangbo Wang; Midori Goto; Li-Biao Han","Facile Regio- and Stereoselective Hydrometalation of Alkynes with a Combination of Carboxylic Acids and Group 10 Transition Metal Complexes: Selective Hydrogenation of Alkynes with Formic Acid","Journal of the American Chemical Society","2011","133","","17037","17044","10.1021/ja2069246","","","0.71073","MoKα","","0.0205","0.0189","","","0.0553","0.0586","","","","","","0.708","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106997","15.9093","0.001","18.9722","0.0012","16.9307","0.0011","90","","105.939","0.001","90","","4913.8","0.5","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 O2 P2 Pd -","- C22 H40 O2 P2 Pd -","- C176 H320 O16 P16 Pd8 -","8","2","","Ruwei Shen; Tieqiao Chen; Yalei Zhao; Renhua Qiu; Yongbo Zhou; Shuangfeng Yin; Xiangbo Wang; Midori Goto; Li-Biao Han","Facile Regio- and Stereoselective Hydrometalation of Alkynes with a Combination of Carboxylic Acids and Group 10 Transition Metal Complexes: Selective Hydrogenation of Alkynes with Formic Acid","Journal of the American Chemical Society","2011","133","","17037","17044","10.1021/ja2069246","","","0.71073","MoKα","","0.063","0.0477","","","0.1207","0.1306","","","","","","0.992","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106998","13.9737","0.0019","14.2809","0.0019","14.517","0.002","90","","93.566","0.001","90","","2891.4","0.7","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Ni O2 P2 -","- C28 H44 Ni O2 P2 -","- C112 H176 Ni4 O8 P8 -","4","1","","Ruwei Shen; Tieqiao Chen; Yalei Zhao; Renhua Qiu; Yongbo Zhou; Shuangfeng Yin; Xiangbo Wang; Midori Goto; Li-Biao Han","Facile Regio- and Stereoselective Hydrometalation of Alkynes with a Combination of Carboxylic Acids and Group 10 Transition Metal Complexes: Selective Hydrogenation of Alkynes with Formic Acid","Journal of the American Chemical Society","2011","133","","17037","17044","10.1021/ja2069246","","","0.71073","MoKα","","0.0271","0.0239","","","0.0657","0.0681","","","","","","1.011","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106999","14.1343","0.0006","14.1858","0.0006","14.6658","0.0006","90","","92.962","0.001","90","","2936.7","0.2","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 O2 P2 Pt -","- C28 H44 O2 P2 Pt -","- C112 H176 O8 P8 Pt4 -","4","1","","Ruwei Shen; Tieqiao Chen; Yalei Zhao; Renhua Qiu; Yongbo Zhou; Shuangfeng Yin; Xiangbo Wang; Midori Goto; Li-Biao Han","Facile Regio- and Stereoselective Hydrometalation of Alkynes with a Combination of Carboxylic Acids and Group 10 Transition Metal Complexes: Selective Hydrogenation of Alkynes with Formic Acid","Journal of the American Chemical Society","2011","133","","17037","17044","10.1021/ja2069246","","","0.71073","MoKα","","0.0172","0.0142","","","0.036","0.0372","","","","","","0.965","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4107000","11.0719","0.0003","11.0719","0.0003","23.9032","0.0007","90","","90","","90","","2930.22","0.14","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H24 Cl2 O6 P2 Pd -","- C30 H24 Cl2 O6 P2 Pd -","- C120 H96 Cl8 O24 P8 Pd4 -","4","0.5","","Laura A. Brozek; Michael J. Ardolino; James P. Morken","Diastereocontrol in Asymmetric Allyl-Allyl Cross-Coupling: Stereocontrolled Reaction of Prochiral Allylboronates with Prochiral Allyl Chlorides","Journal of the American Chemical Society","2011","133","","16778","16781","10.1021/ja2075967","","","0.71073","MoKα","","0.0149","0.0145","","","0.0376","0.0378","","","","","","1.119","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107001","9.079","0.003","11.802","0.004","13.768","0.005","80.007","0.006","72.445","0.006","87.753","0.006","1385.1","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H39 B Mg N4 O3 -","- C25 H39 B Mg N4 O3 -","- C50 H78 B2 Mg2 N8 O6 -","2","1","","James F. Dunne; Steven R. Neal; Joshua Engelkemier; Arkady Ellern; Aaron D. Sadow","Tris(oxazolinyl)boratomagnesium-Catalyzed Cross-Dehydrocoupling of Organosilanes with Amines, Hydrazine, and Ammonia","Journal of the American Chemical Society","2011","133","","16782","16785","10.1021/ja207641b","","","0.71073","MoKα","","0.1","0.0813","","","0.2167","0.2276","","","","","","1.141","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107002","27.165","0.004","13.745","0.002","46.162","0.007","90","","90","","90","","17236","4","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C82 H60 I6 N16 O8 Zn3 -","- C82 H60 I6 N16 O8 Zn3 -","- C656 H480 I48 N128 O64 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.0944","0.0556","","","0.1251","0.1445","","","","","","0.93","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107003","27.249","0.006","13.798","0.003","44.834","0.01","90","","90","","90","","16857","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H47 I6 N13 O3 Zn3 -","- C64 H47 I6 N13 O3 Zn3 -","- C512 H376 I48 N104 O24 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.13","0.0986","","","0.3159","0.3358","","","","","","1.276","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107004","27.11","0.005","13.785","0.003","45.814","0.009","90","","90","","90","","17121","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C81 H81 I6 N13 O2 Zn3 -","- C81 H81 I6 N13 O2 Zn3 -","- C648 H648 I48 N104 O16 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.1244","0.0997","","","0.3464","0.3681","","","","","","1.516","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107005","28.147","0.003","13.8926","0.0013","44.028","0.004","90","","90","","90","","17216","3","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C67 H50 Cl4 I6 N14 O4 Zn3 -","- C67 H50 Cl4 I6 N14 O4 Zn3 -","- C536 H400 Cl32 I48 N112 O32 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.0824","0.0653","","","0.2557","0.2799","","","","","","1.203","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107006","9.052","0.002","9.299","0.002","17.014","0.004","102.904","0.01","90.446","0.011","108.182","0.009","1321.6","0.5","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H52 B3 N6 P -","- C18 H52 B3 N6 P -","- C36 H104 B6 N12 P2 -","2","1","","William C. Ewing; Allegra Marchione; Daniel W. Himmelberger; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Anionic Borane-Capped Ammonia Borane Oligomers: Evidence for Ammonia Borane H2 Release via a Base-Promoted Anionic Dehydropolymerization Mechanism","Journal of the American Chemical Society","2011","133","","17093","17099","10.1021/ja207971h","","","0.71073","MoKα","","0.0348","0.0314","","","0.079","0.0824","","","","","","0.923","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107007","17.8873","0.0008","10.4153","0.0005","15.554","0.0007","90","","101.029","0.002","90","","2844.2","0.2","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H56 B4 N7 P -","- C18 H56 B4 N7 P -","- C72 H224 B16 N28 P4 -","4","1","","William C. Ewing; Allegra Marchione; Daniel W. Himmelberger; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Anionic Borane-Capped Ammonia Borane Oligomers: Evidence for Ammonia Borane H2 Release via a Base-Promoted Anionic Dehydropolymerization Mechanism","Journal of the American Chemical Society","2011","133","","17093","17099","10.1021/ja207971h","","","0.71073","MoKα","","0.0367","0.0315","","","0.0791","0.0829","","","","","","0.99","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107008","8.3185","0.0015","10.2544","0.0019","36.74","0.006","85.455","0.009","87.606","0.008","66.52","0.008","2865.3","0.9","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H56 B4 N7 P -","- C18 H56 B4 N7 P -","- C72 H224 B16 N28 P4 -","4","2","","William C. Ewing; Allegra Marchione; Daniel W. Himmelberger; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Anionic Borane-Capped Ammonia Borane Oligomers: Evidence for Ammonia Borane H2 Release via a Base-Promoted Anionic Dehydropolymerization Mechanism","Journal of the American Chemical Society","2011","133","","17093","17099","10.1021/ja207971h","","","0.71073","MoKα","","0.057","0.0485","","","0.1223","0.1294","","","","","","0.98","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107009","9.8858","0.0002","8.2382","0.0001","13.6521","0.0002","90","","93.48","0.001","90","","1109.79","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C54 H44 N4 O10 -","2","1","","Chandra Kanta De; Nisha Mittal; Daniel Seidel","A Dual-Catalysis Approach to the Asymmetric Steglich Rearrangement and Catalytic Enantioselective Addition of O-Acylated Azlactones to Isoquinolines","Journal of the American Chemical Society","2011","133","","16802","16805","10.1021/ja208156z","","","1.54178","CuKα","","0.0308","0.0298","","","0.0728","0.0734","","","","","","1.006","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107010","10.79","0.002","19.669","0.005","12.151","0.003","90","","114.153","0.005","90","","2353","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H21 Br N2 O5 -","- C27 H21 Br N2 O5 -","- C108 H84 Br4 N8 O20 -","4","2","","Chandra Kanta De; Nisha Mittal; Daniel Seidel","A Dual-Catalysis Approach to the Asymmetric Steglich Rearrangement and Catalytic Enantioselective Addition of O-Acylated Azlactones to Isoquinolines","Journal of the American Chemical Society","2011","133","","16802","16805","10.1021/ja208156z","","","0.71073","MoKα","","0.079","0.0578","","","0.1283","0.1384","","","","","","1.005","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107011","8.5896","0.0005","24.1922","0.0013","13.1944","0.0007","90","","99.382","0.001","90","","2705.1","0.3","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Cl2 N3 O6 Ti -","- C24 H33 Cl2 N3 O6 Ti -","- C96 H132 Cl8 N12 O24 Ti4 -","4","1","","Hagai Glasner; Edit Y. Tshuva","A Marked Synergistic Effect in Antitumor Activity of Salan Titanium(IV) Complexes Bearing Two Differently Substituted Aromatic Rings","Journal of the American Chemical Society","2011","133","","16812","16814","10.1021/ja208219f","","","0.71073","MoKα","","0.0689","0.0603","","","0.1354","0.1398","","","","","","1.172","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107012","12.803","0.003","24.319","0.007","18.623","0.005","90","","90","","90","","5798","3","173","2","173","2","","","","","","","","8","C 2 2 21","C 2c 2","20","09184","","","- C33 H72 Cl6 Cu3 F18 N6 P3 S2 -","- C33 H72 Cl6 Cu3 F18 N6 P3 S2 -","- C132 H288 Cl24 Cu12 F72 N24 P12 S8 -","4","0.5","","Ritimukta Sarangi; Lei Yang; Stuart G. Winikoff; Laura Gagliardi; Christopher J. Cramer; William B. Tolman; Edward I. Solomon","X-ray Absorption Spectroscopic and Computational Investigation of a Possible S...S Interaction in the [Cu3S2]3+ Core","Journal of the American Chemical Society","2011","133","","17180","17191","10.1021/ja111323m","","","0.71073","MoKα","","0.0841","0.0494","","","0.1193","0.1403","","","","","","1.1","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107013","8.502","0.004","12.948","0.006","17.246","0.008","90","","90.711","0.005","90","","1898.4","1.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","0.71073","MoKα","","0.0709","0.0439","","","0.1145","0.1336","","","","","","1.035","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107014","15.318","0.0004","11.4327","0.0003","16.0022","0.0004","90","","117.601","0.001","90","","2483.48","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O -","- C15 H17 N O -","- C120 H136 N8 O8 -","8","4","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0425","0.0419","","","0.115","0.1159","","","","","","1.072","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107015","15.3223","0.0005","11.4272","0.0003","16.0413","0.0005","90","","117.824","0.002","90","","2483.96","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O -","- C15 H17 N O -","- C120 H136 N8 O8 -","8","4","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0702","0.0687","","","0.1715","0.1724","","","","","","1.099","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107016","6.8746","0.0002","12.4881","0.0004","30.4034","0.0009","90","","90","","90","","2610.15","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O -","- C15 H17 N O -","- C120 H136 N8 O8 -","8","2","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0264","0.0261","","","0.0692","0.0695","","","","","","1.054","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107017","8.5768","0.0004","15.0166","0.0006","18.426","0.0008","90","","90","","90","","2373.17","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0423","0.0369","","","0.0992","0.1123","","","","","","1.212","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107018","17.601","0.01","6.388","0.004","18.243","0.01","90","","114.99","0.008","90","","1859.1","1.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","0.71073","MoKα","","0.09","0.0468","","","0.1082","0.1368","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107019","8.5144","0.0002","5.8077","0.0002","13.3132","0.0004","90","","108.292","0.001","90","","625.06","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O -","- C15 H17 N O -","- C30 H34 N2 O2 -","2","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0258","0.0257","","","0.0661","0.0663","","","","","","1.063","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107020","8.5149","0.001","5.8102","0.0007","13.3204","0.0016","90","","108.261","0.005","90","","625.82","0.13","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O -","- C15 H17 N O -","- C30 H34 N2 O2 -","2","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0279","0.0277","","","0.0711","0.0714","","","","","","1.069","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107021","13.5171","0.0003","12.5434","0.0003","25.7609","0.0005","90","","97.508","0.001","90","","4330.32","0.16","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H54 F6 N2 O10 Ru2 Sb -","- C38 H54 F6 N2 O10 Ru2 Sb -","- C152 H216 F24 N8 O40 Ru8 Sb4 -","4","0.5","","Mark Edwin Harvey; Djamaladdin G. Musaev; J. Du Bois","A Diruthenium Catalyst for Selective, Intramolecular Allylic C-H Amination: Reaction Development and Mechanistic Insight Gained through Experiment and Theory","Journal of the American Chemical Society","2011","133","","17207","17216","10.1021/ja203576p","","","0.71073","MoKα","","0.0215","0.019","","","0.0444","0.0456","","","","","","1.026","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107022","32.1203","0.001","10.609","0.0003","14.8811","0.0005","90","","107.915","0.003","90","","4825.1","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl N5 O5 Ru2 -","- C23 H23 Cl N5 O5 Ru2 -","- C184 H184 Cl8 N40 O40 Ru16 -","8","1","","Mark Edwin Harvey; Djamaladdin G. Musaev; J. Du Bois","A Diruthenium Catalyst for Selective, Intramolecular Allylic C-H Amination: Reaction Development and Mechanistic Insight Gained through Experiment and Theory","Journal of the American Chemical Society","2011","133","","17207","17216","10.1021/ja203576p","","","0.71073","MoKα","","0.0397","0.0304","","","0.0768","0.0826","","","","","","1.043","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107023","12.0884","0.0006","12.5779","0.0006","20.5574","0.0009","99.33","0.002","96.38","0.002","108.261","0.002","2884.9","0.2","110","2","110","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C62 H101.5 B N P3 Ru -","- C62 H101.5 B N P3 Ru -","- C124 H203 B2 N2 P6 Ru2 -","2","1","","Yann Gloaguen; Gilles Alcaraz; Alban Petit; Eric Clot; Yannick Coppel; Laure Vendier; Sylviane Sabo-Etienne","Ruthenium Agostic (Phosphinoaryl)borane Complexes: Multinuclear Solid-State and Solution NMR, X-ray, and DFT Studies","Journal of the American Chemical Society","2011","133","","17232","17238","10.1021/ja203828r","","","0.71073","MoKα","","0.0481","0.0345","","","0.0812","0.0889","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107024","17.343","0.0004","10.0641","0.0007","14.1425","0.0006","90","","92.541","0.005","90","","2466","0.2","110","2","110","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 B N P -","- C24 H29 B N P -","- C96 H116 B4 N4 P4 -","4","1","","Yann Gloaguen; Gilles Alcaraz; Alban Petit; Eric Clot; Yannick Coppel; Laure Vendier; Sylviane Sabo-Etienne","Ruthenium Agostic (Phosphinoaryl)borane Complexes: Multinuclear Solid-State and Solution NMR, X-ray, and DFT Studies","Journal of the American Chemical Society","2011","133","","17232","17238","10.1021/ja203828r","","","0.71073","MoKα","","0.0609","0.0435","","","0.1262","0.135","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107025","59.31","0.005","25.141","0.003","31.05","0.004","90","","90","","90","","46299","9","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C386.19 H350.19 Cl6.56 N30 Zn6 -","- C386.188 H350.188 Cl6.564 N30 Zn6 -","- C1544.75 H1400.75 Cl26.256 N120 Zn24 -","4","0.5","","Johannes K. Sprafke; Dmitry V. Kondratuk; Michael Wykes; Amber L. Thompson; Markus Hoffmann; Rokas Drevinskas; Wei-Hsin Chen; Chaw Keong Yong; Joakim Kärnbratt; Joseph E. Bullock; Marc Malfois; Michael R. Wasielewski; Bo Albinsson; Laura M. Herz; Donatas Zigmantas; David Beljonne; Harry L. Anderson","Belt-Shaped π-Systems: Relating Geometry to Electronic Structure in a Six-Porphyrin Nanoring","Journal of the American Chemical Society","2011","133","","17262","17273","10.1021/ja2045919","","","0.6889","Synchrotron","","0.1065","0.1047","","0.2626","0.2611","0.2626","","","","","","0.9235","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107026","11.572","0.007","19.432","0.01","14.691","0.008","90","","110.876","0.008","90","","3087","3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H23 B N6 O -","- C42 H23 B N6 O -","- C168 H92 B4 N24 O4 -","4","1","","Soji Shimizu; Akito Miura; Samson Khene; Tebello Nyokong; Nagao Kobayashi","Chiral 1,2-Subnaphthalocyanines","Journal of the American Chemical Society","2011","133","","17322","17328","10.1021/ja2052667","","","0.7107","MoKα","","","0.0707","","","","0.1936","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107027","10.977","0.003","17.802","0.004","38.101","0.009","90","","90","","90","","7445","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H27 B Br Cl N6 O -","- C48 H27 B Br Cl N6 O -","- C384 H216 B8 Br8 Cl8 N48 O8 -","8","2","","Soji Shimizu; Akito Miura; Samson Khene; Tebello Nyokong; Nagao Kobayashi","Chiral 1,2-Subnaphthalocyanines","Journal of the American Chemical Society","2011","133","","17322","17328","10.1021/ja2052667","","","0.71073","MoKα","","0.2162","0.0845","","","0.2067","0.2761","","","","","","0.988","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107028","10.304","0.006","17.641","0.01","16.769","0.01","90","","91.985","0.008","90","","3046","3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H23 B N6 O -","- C42 H23 B N6 O -","- C168 H92 B4 N24 O4 -","4","1","","Soji Shimizu; Akito Miura; Samson Khene; Tebello Nyokong; Nagao Kobayashi","Chiral 1,2-Subnaphthalocyanines","Journal of the American Chemical Society","2011","133","","17322","17328","10.1021/ja2052667","","","0.7107","MoKα","","","0.0667","","","","0.1224","","","","","","0.966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107029","9.549","0.0017","12.04","0.002","27.566","0.005","90","","90","","90","","3169.3","1","208","2","208","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TFM4031","","","- C17 H27 N O -","- C17 H27 N O -","- C136 H216 N8 O8 -","8","1","","Todd F. Markle; Ian J. Rhile; James M. Mayer","Kinetic Effects of Increased Proton Transfer Distance on Proton-Coupled Oxidations of Phenol-Amines","Journal of the American Chemical Society","2011","133","","17341","17352","10.1021/ja2056853","","","0.71073","MoKα","","0.1381","0.0698","","","0.142","0.166","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4107030","8.8669","0.0005","19.9508","0.001","10.3408","0.0005","90","","92.519","0.003","90","","1827.54","0.16","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C43 H58 Fe N4 -","- C43 H58 Fe N4 -","- C86 H116 Fe2 N8 -","2","0.5","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Zoë R. Turner; Emil Lobkovsky; Serena DeBeer; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior","Journal of the American Chemical Society","2011","133","","17353","17369","10.1021/ja205736m","","","0.71073","MoKα","","0.0632","0.0417","","","0.0904","0.0987","","","","","","1.026","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107031","23.764","0.005","14.825","0.003","21.812","0.004","90","","107.52","0.03","90","","7328","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H58 Fe N4 -","- C41 H58 Fe N4 -","- C328 H464 Fe8 N32 -","8","2","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Zoë R. Turner; Emil Lobkovsky; Serena DeBeer; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior","Journal of the American Chemical Society","2011","133","","17353","17369","10.1021/ja205736m","","","0.9782","Synchrotron","","0.078","0.0763","","","0.2243","0.2304","","","","","","1.118","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107032","29.16","0.004","14.632","0.0019","20.85","0.003","90","","94.477","0.005","90","","8869","2","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H58 Fe N4 -","- C43 H58 Fe N4 -","- C344 H464 Fe8 N32 -","8","1","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Zoë R. Turner; Emil Lobkovsky; Serena DeBeer; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior","Journal of the American Chemical Society","2011","133","","17353","17369","10.1021/ja205736m","","","0.71073","MoKα","","0.0892","0.0572","","","0.1434","0.1564","","","","","","1.079","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107033","29.2765","0.0004","14.6949","0.0002","20.8797","0.0003","90","","94.904","0.001","90","","8949.9","0.2","253","2","253","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H58 Fe N4 -","- C43 H58 Fe N4 -","- C344 H464 Fe8 N32 -","8","1","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Zoë R. Turner; Emil Lobkovsky; Serena DeBeer; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior","Journal of the American Chemical Society","2011","133","","17353","17369","10.1021/ja205736m","","","1.54178","CuKα","","0.0692","0.0629","","","0.185","0.1897","","","","","","1.189","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107034","28.832","0.002","14.4148","0.0012","20.7661","0.0014","90","","94.196","0.006","90","","8607.4","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H58 Fe N4 -","- C43 H58 Fe N4 -","- C344 H464 Fe8 N32 -","8","1","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Zoë R. Turner; Emil Lobkovsky; Serena DeBeer; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior","Journal of the American Chemical Society","2011","133","","17353","17369","10.1021/ja205736m","","","1.54178","CuKα","","0.1911","0.1711","","","0.4043","0.4151","","","","","","1.076","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107035","10.0994","0.0007","13.1141","0.0009","18.8097","0.0013","90","","93.723","0.0008","90","","2486","0.3","143","2","143","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C96 H144 O40 -","8","4","","Martin J. Schnermann; Christopher M. Beaudry; Nathan E. Genung; Stephen M. Canham; Nicholas L. Untiedt; Breanne D. W. Karanikolas; Christine Sütterlin; Larry E. Overman","Divergent Synthesis and Chemical Reactivity of Bicyclic Lactone Fragments of Complex Rearranged Spongian Diterpenes","Journal of the American Chemical Society","2011","133","","17494","17503","10.1021/ja207727h","","","0.71073","MoKα","","0.0461","0.038","","","0.0865","0.0904","","","","","","1.029","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107036","26.422","0.007","26.422","0.007","7.967","0.002","90","","90","","120","","4817","2","88","2","88","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C20 H23 F3 O6 -","- C20 H23 F3 O6 -","- C180 H207 F27 O54 -","9","1","","Martin J. Schnermann; Christopher M. Beaudry; Nathan E. Genung; Stephen M. Canham; Nicholas L. Untiedt; Breanne D. W. Karanikolas; Christine Sütterlin; Larry E. Overman","Divergent Synthesis and Chemical Reactivity of Bicyclic Lactone Fragments of Complex Rearranged Spongian Diterpenes","Journal of the American Chemical Society","2011","133","","17494","17503","10.1021/ja207727h","","","0.71073","MoKα","","0.0614","0.0394","","","0.0784","0.0866","","","","","","1.054","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107037","13.2305","0.0009","19.0703","0.0016","26.5694","0.0017","78.993","0.003","83.285","0.003","82.354","0.003","6493","0.8","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C67.75 H61.5 B Cl3.5 F4 N4 O2 P2 Rh -","- C67.75 H61.5 B Cl3.5 F4 N4 O2 P2 Rh -","- C271 H246 B4 Cl14 F16 N16 O8 P8 Rh4 -","4","2","","Paweł Dydio; Christophe Rubay; Tendai Gadzikwa; Martin Lutz; Joost N. H. Reek","""Cofactor""-Controlled Enantioselective Catalysis","Journal of the American Chemical Society","2011","133","","17176","17179","10.1021/ja208589c","","","0.71073","MoKα","","0.0995","0.0874","","","0.2175","0.2271","","","","","","1.136","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107038","10.884","0.005","12.049","0.006","14.338","0.007","90","","109.552","0.007","90","","1771.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 Cu N3 O4 -","- C10 H5 Cu N3 O4 -","- C40 H20 Cu4 N12 O16 -","4","1","","Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi","The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms","Journal of the American Chemical Society","2011","133","","17532","17535","10.1021/ja203898s","","","0.71073","MoKα","","0.0932","0.0718","","","0.2014","0.2124","","","","","","1.047","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107039","19.132","0.004","19.132","0.004","37.505","0.015","90","","90","","120","","11889","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C252 H162 Cu18 N18 O90 -","18","1","","Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi","The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms","Journal of the American Chemical Society","2011","133","","17532","17535","10.1021/ja203898s","","","0.71073","MoKα","","0.1061","0.0618","","","0.1299","0.1354","","","","","","1.01","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107040","18.456","0.016","18.456","0.016","34.59","0.03","90","","90","","120","","10204","15","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C252 H162 Cu18 N18 O90 -","18","1","","Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi","The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms","Journal of the American Chemical Society","2011","133","","17532","17535","10.1021/ja203898s","","","1.54178","CuKα","","0.161","0.1076","","","0.2449","0.2642","","","","","","1.064","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107041","12.9805","0.0007","14.104","0.0009","25.6051","0.0013","90","","90","","90","","4687.7","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C112 H72 Cu8 N8 O40 -","8","1","","Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi","The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms","Journal of the American Chemical Society","2011","133","","17532","17535","10.1021/ja203898s","","","1.54178","CuKα","","0.0785","0.0626","","","0.1742","0.1825","","","","","","1.089","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107042","10.9427","0.0005","15.7965","0.0007","32.9696","0.0012","90","","90","","90","","5699","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[(tBuPCP)PdOH][HOCH2CH2F]","(1-FE)","","- C26 H49.38 F0.63 O2 P2 Pd -","- C26 H49.34 F0.66 O2 P2 Pd -","- C208 H394.72 F5.28 O16 P16 Pd8 -","8","1","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.1352","0.0804","","","0.1444","0.1648","","","","","","1.104","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107043","10.6351","0.0002","13.2125","0.0002","21.314","0.0003","90","","103.081","0.001","90","","2917.25","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(tBuPCP)PdOC6H5","(5)","","- C30 H48 O P2 Pd -","- C30 H48 O P2 Pd -","- C120 H192 O4 P8 Pd4 -","4","1","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.0347","0.0267","","","0.0593","0.0619","","","","","","1.036","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107044","25.584","0.002","16.592","0.0016","12.069","0.0012","90","","99.808","0.004","90","","5048.3","0.8","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(?-tBuPCHP)Pd]2","(6)","","- C48 H88 P4 Pd2 -","- C48 H88 P4 Pd2 -","- C192 H352 P16 Pd8 -","4","0.5","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.2064","0.0766","","","0.1368","0.1731","","","","","","0.88","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107045","11.2995","0.0003","11.457","0.0003","25.5594","0.0007","87.864","0.002","89.579","0.001","68.387","0.001","3074.03","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(tBuPCP)PdOCH2C(CH3)3","(7)","","- C29 H54 O P2 Pd -","- C29 H54 O P2 Pd -","- C116 H216 O4 P8 Pd4 -","4","2","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.0948","0.0507","","","0.0767","0.0832","","","","","","1.032","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107046","20.9157","0.0019","12.4921","0.0011","10.8131","0.0009","90","","102.562","0.003","90","","2757.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(tBuPCP)PdOCH2CH2F","(10)","","- C26 H47 F O P2 Pd -","- C26 H47 F O P2 Pd -","- C104 H188 F4 O4 P8 Pd4 -","4","1","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.0538","0.046","","","0.1008","0.1062","","","","","","1.096","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107047","12.474","0.002","6.4401","0.0012","15.601","0.003","90","","109.188","0.003","90","","1183.7","0.4","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 O2 -","- C17 H10 O2 -","- C68 H40 O8 -","4","1","","Kuo-Chun Tang; Ming-Jen Chang; Tsung-Yi Lin; Hsiao-An Pan; Tzu-Chien Fang; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Fine Tuning the Energetics of Excited-State Intramolecular Proton Transfer (ESIPT): White Light Generation in A Single ESIPT System","Journal of the American Chemical Society","2011","133","","17738","17745","10.1021/ja2062693","","x-ray","0.71073","MoKα","","0.1047","0.0571","","","0.1488","0.1877","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107048","13.3606","0.0002","13.8311","0.0002","21.853","0.0004","77.852","0.001","74.896","0.001","77.025","0.001","3749.34","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C154.8 H121.8 B4 F60 N8 O6 Si4 -","- C154.8 H121.8 B4 F60 N8 O6 Si4 -","- C154.8 H121.8 B4 F60 N8 O6 Si4 -","1","0.5","","Rajendra S. Ghadwal; Ramachandran Azhakar; Herbert W. Roesky; Kevin Pröpper; Birger Dittrich; Susanne Klein; Gernot Frenking","Donor-Acceptor-Stabilized Silicon Analogue of an Acid Anhydride","Journal of the American Chemical Society","2011","133","","17552","17555","10.1021/ja206702e","","","1.54178","CuKα","","0.0617","0.0515","","","0.1401","0.1522","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107049","13.003","0.002","10.798","0.002","18.699","0.004","90","","91.086","0.003","90","","2625","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 Cl3 F24 Ir2 N4 O10 P4 -","- C28 H41 Cl3 F24 Ir2 N4 O10 P4 -","- C56 H82 Cl6 F48 Ir4 N8 O20 P8 -","2","0.5","","Thomas S. Teets; Daniel G. Nocera","Mechanistic Studies of O2 Reduction Effected by Group 9 Bimetallic Hydride Complexes","Journal of the American Chemical Society","2011","133","","17796","17806","10.1021/ja2069196","","","0.71073","MoKα","","0.0645","0.0493","","","0.1175","0.1216","","","","","","1.079","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107050","12.4449","0.0013","18.0315","0.0019","12.9712","0.0013","90","","117.313","0.002","90","","2586.2","0.5","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H40 Cl2 F24 Ir2 N4 O10 P4 -","- C28 H40 Cl2 F24 Ir2 N4 O10 P4 -","- C56 H80 Cl4 F48 Ir4 N8 O20 P8 -","2","1","","Thomas S. Teets; Daniel G. Nocera","Mechanistic Studies of O2 Reduction Effected by Group 9 Bimetallic Hydride Complexes","Journal of the American Chemical Society","2011","133","","17796","17806","10.1021/ja2069196","","","0.71073","MoKα","","0.0434","0.0353","","","0.076","0.0797","","","","","","0.995","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107051","11.091","0.0016","11.091","0.0016","19.364","0.004","90","","90","","120","","2062.8","0.6","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","MIL-88B(2OH)","","","- C48 H38 Fe6 O44 -","- C48 H12 Fe6 O44 -","- C48 H12 Fe6 O44 -","1","0.0416667","","Patricia Horcajada; Fabrice Salles; Stefan Wuttke; Thomas Devic; Daniela Heurtaux; Guillaume Maurin; Alexandre Vimont; Marco Daturi; Olivier David; Emmanuel Magnier; Norbert Stock; Yaroslav Filinchuk; Dmitry Popov; Christian Riekel; Gérard Férey; Christian Serre","How Linker's Modification Controls Swelling Properties of Highly Flexible Iron(III) Dicarboxylates MIL-88","Journal of the American Chemical Society","2011","133","","17839","17847","10.1021/ja206936e","","","0.9613","synchrotron","","0.1883","0.1769","","","0.4176","0.4234","","","","","","1.834","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107052","14.741","0.002","14.741","0.002","17.135","0.003","90","","90","","120","","3224.5","0.8","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","MIL-88B(4CH3)","","","- C72 H82 Fe6 O32 -","- C72 H72 Fe6 O32 -","- C72 H72 Fe6 O32 -","1","0.0416667","","Patricia Horcajada; Fabrice Salles; Stefan Wuttke; Thomas Devic; Daniela Heurtaux; Guillaume Maurin; Alexandre Vimont; Marco Daturi; Olivier David; Emmanuel Magnier; Norbert Stock; Yaroslav Filinchuk; Dmitry Popov; Christian Riekel; Gérard Férey; Christian Serre","How Linker's Modification Controls Swelling Properties of Highly Flexible Iron(III) Dicarboxylates MIL-88","Journal of the American Chemical Society","2011","133","","17839","17847","10.1021/ja206936e","","","0.9613","synchrotron","","0.2805","0.1924","","","0.4445","0.4757","","","","","","1.264","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107053","10.434","0.004","18.744","0.007","18.984","0.007","93.744","0.006","104.85","0.006","100.939","0.006","3498","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H64 B F24 N4 O2 Y -","- C70 H64 B F24 N4 O2 Y -","- C140 H128 B2 F48 N8 O4 Y2 -","2","1","","Ajay Venugopal; Waldemar Fegler; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand","Journal of the American Chemical Society","2011","133","","17574","17577","10.1021/ja207180x","","","0.71073","MoKα","","0.1707","0.0689","","","0.1229","0.1513","","","","","","0.852","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107054","11.855","0.004","13.2","0.004","16.018","0.005","67.933","0.004","70.455","0.005","81.338","0.005","2188.2","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 B F20 Lu N4 Si -","- C40 H40 B F20 Lu N4 Si -","- C80 H80 B2 F40 Lu2 N8 Si2 -","2","1","","Ajay Venugopal; Waldemar Fegler; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand","Journal of the American Chemical Society","2011","133","","17574","17577","10.1021/ja207180x","","","0.71073","MoKα","","0.06","0.048","","","0.0909","0.094","","","","","","0.908","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107055","12.728","0.0004","13.8763","0.0005","17.1508","0.0006","69.4343","0.0012","71.3166","0.0013","81.3633","0.0013","2684.21","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H104 B2 F48 Lu2 N8 O2 -","- C96 H104 B2 F48 Lu2 N8 O2 -","- C96 H104 B2 F48 Lu2 N8 O2 -","1","0.5","","Ajay Venugopal; Waldemar Fegler; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand","Journal of the American Chemical Society","2011","133","","17574","17577","10.1021/ja207180x","","","0.71073","MoKα","","0.1017","0.0506","","","0.0873","0.0986","","","","","","0.801","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107056","12.7943","0.0016","13.8697","0.0017","17.211","0.002","69.5007","0.0018","70.668","0.0018","81.4178","0.0019","2697.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H106 B2 F48 Lu2 N8 O2 -","- C96 H106 B2 F48 Lu2 N8 O2 -","- C96 H106 B2 F48 Lu2 N8 O2 -","1","0.5","","Ajay Venugopal; Waldemar Fegler; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand","Journal of the American Chemical Society","2011","133","","17574","17577","10.1021/ja207180x","","","0.71073","MoKα","","0.048","0.0394","","","0.0757","0.0787","","","","","","1.032","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107057","12.8104","0.0011","13.9351","0.0012","17.2719","0.0014","69.3026","0.0013","70.1548","0.0014","80.9762","0.0014","2710.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H106 B2 F48 N8 O2 Y2 -","- C96 H106 B2 F48 N8 O2 Y2 -","- C96 H106 B2 F48 N8 O2 Y2 -","1","0.5","","Ajay Venugopal; Waldemar Fegler; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand","Journal of the American Chemical Society","2011","133","","17574","17577","10.1021/ja207180x","","","0.71073","MoKα","","0.0758","0.0428","","","0.0797","0.0856","","","","","","0.832","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107058","16.411","0.006","16.426","0.006","25.192","0.009","90","","94.4","0.02","90","","6771","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C73 H98 N4 Sn2 -","- C73 H98 N4 Sn2 -","- C292 H392 N16 Sn8 -","4","1","","Shabana Khan; Reent Michel; Johannes M. Dieterich; Ricardo A. Mata; Herbert W. Roesky; Jean-Philippe Demers; Adam Lange; Dietmar Stalke","Preparation of RSn(I)-Sn(I)R with Two Unsymmetrically Coordinated Sn(I) Atoms and Subsequent Gentle Activation of P4","Journal of the American Chemical Society","2011","133","","17889","17894","10.1021/ja207538g","","","0.71073","MoKα","","0.0358","0.0257","","","0.0561","0.0609","","","","","","1.042","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107059","14.644","0.002","17.463","0.002","26.602","0.002","90","","104.48","0.02","90","","6586.8","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H86 N4 P4 Sn2 -","- C68 H86 N4 P4 Sn2 -","- C272 H344 N16 P16 Sn8 -","4","1","","Shabana Khan; Reent Michel; Johannes M. Dieterich; Ricardo A. Mata; Herbert W. Roesky; Jean-Philippe Demers; Adam Lange; Dietmar Stalke","Preparation of RSn(I)-Sn(I)R with Two Unsymmetrically Coordinated Sn(I) Atoms and Subsequent Gentle Activation of P4","Journal of the American Chemical Society","2011","133","","17889","17894","10.1021/ja207538g","","","0.71073","MoKα","","0.0541","0.0374","","","0.0871","0.0981","","","","","","1.072","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107060","19.25","0.08","9.01","0.04","21.8","0.09","90","","115.04","0.02","90","","3426","3","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 F12 N7 P2 Ru -","- C30 H26 F12 N7 P2 Ru -","- C120 H104 F48 N28 P8 Ru4 -","4","1","","Takahiko Kojima; Kazuya Nakayama; Miyuki Sakaguchi; Takashi Ogura; Kei Ohkubo; Shunichi Fukuzumi","Photochemical Activation of Ruthenium(II)-Pyridylamine Complexes Having a Pyridine-N-Oxide Pendant toward Oxygenation of Organic Substrates","Journal of the American Chemical Society","2011","133","","17901","17911","10.1021/ja207572z","","","0.7107","MoKα","","","0.1016","","","","0.2389","","","","","","1.223","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107061","11.343","0.002","12.621","0.003","12.733","0.003","72.787","0.006","77.874","0.006","74.914","0.006","1663.6","0.6","123.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 F12 N8 O P2 Ru -","- C28 H24 F12 N9 O P2 Ru -","- C56 H48 F24 N18 O2 P4 Ru2 -","2","1","","Takahiko Kojima; Kazuya Nakayama; Miyuki Sakaguchi; Takashi Ogura; Kei Ohkubo; Shunichi Fukuzumi","Photochemical Activation of Ruthenium(II)-Pyridylamine Complexes Having a Pyridine-N-Oxide Pendant toward Oxygenation of Organic Substrates","Journal of the American Chemical Society","2011","133","","17901","17911","10.1021/ja207572z","","","0.7107","MoKα","","","0.0548","","","","0.1466","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107062","19.373","0.003","8.8414","0.0011","21.969","0.003","90","","114.923","0.0004","90","","3412.5","0.8","123.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 F12 N8 O P2 Ru -","- C30 H26 F12 N7 O P2 Ru -","- C120 H104 F48 N28 O4 P8 Ru4 -","4","1","","Takahiko Kojima; Kazuya Nakayama; Miyuki Sakaguchi; Takashi Ogura; Kei Ohkubo; Shunichi Fukuzumi","Photochemical Activation of Ruthenium(II)-Pyridylamine Complexes Having a Pyridine-N-Oxide Pendant toward Oxygenation of Organic Substrates","Journal of the American Chemical Society","2011","133","","17901","17911","10.1021/ja207572z","","","0.7107","MoKα","","","0.0528","","","","0.138","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107063","9.1662","0.001","9.2425","0.001","9.8195","0.0011","90","","97.343","0.002","90","","825.07","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C36 H38 N2 O6 S2 -","2","1","","Xu Tian; Carlo Cassani; Yankai Liu; Antonio Moran; Atsushi Urakawa; Patrizia Galzerano; Elena Arceo; Paolo Melchiorre","Diastereodivergent Asymmetric Sulfa-Michael Additions of α-Branched Enones using a Single Chiral Organic Catalyst","Journal of the American Chemical Society","2011","133","","17934","17941","10.1021/ja207847p","","","0.71073","MoKα","","0.0407","0.0362","","","0.0929","0.0966","","","","","","1.033","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107064","7.2884","0.0002","7.6804","0.0003","29.2456","0.001","90","","90","","90","","1637.11","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","","Xu Tian; Carlo Cassani; Yankai Liu; Antonio Moran; Atsushi Urakawa; Patrizia Galzerano; Elena Arceo; Paolo Melchiorre","Diastereodivergent Asymmetric Sulfa-Michael Additions of α-Branched Enones using a Single Chiral Organic Catalyst","Journal of the American Chemical Society","2011","133","","17934","17941","10.1021/ja207847p","","","0.71073","MoKα","","0.0422","0.0366","","","0.095","0.1025","","","","","","1.141","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107065","17.691","0.002","17.691","0.002","10.5617","0.0012","90","","90","","120","","2862.7","0.6","195","2","195","2","","","","","","","synthesized","6","P 61","P 61","169","","","","- C11 H15 Cl N2 O4 Zn -","- C11 H15 Cl N2 O4 Zn -","- C66 H90 Cl6 N12 O24 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.043","0.0384","","","0.1154","0.1203","","","","","","1.017","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107066","17.768","0.002","17.768","0.002","10.4796","0.0011","90","","90","","120","","2865.2","0.5","195","2","195","2","","","","","","","synthesized","6","P 61","P 61","169","","","","- C11 H15 Br N2 O4 Zn -","- C11 H15 Br N2 O4 Zn -","- C66 H90 Br6 N12 O24 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.0803","0.0618","","","0.1928","0.2133","","","","","","1.017","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107067","17.703","0.002","17.703","0.002","10.585","0.005","90","","90","","120","","2872.9","1.4","195","2","195","2","","","","","","","synthesized","6","P 65","P 65","170","","","","- C11 H15 Cl N2 O4 Zn -","- C11 H15 Cl N2 O4 Zn -","- C66 H90 Cl6 N12 O24 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.0532","0.0469","","","0.1325","0.1387","","","","","","1.053","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107068","17.7786","0.0007","17.7786","0.0007","10.4868","0.0018","90","","90","","120","","2870.6","0.5","195","2","195","2","","","","","","","synthesized","6","P 65","P 65","170","","","","- C11 H15 Br N2 O4 Zn -","- C11 H15 Br N2 O4 Zn -","- C66 H90 Br6 N12 O24 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.075","0.0583","","","0.1731","0.1859","","","","","","1.046","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107069","17.7661","0.0015","17.7661","0.0015","10.5104","0.0016","90","","90","","120","","2873","0.6","353","2","353","2","","","","","","","synthesized","6","P 61","P 61","169","","","","- C11 H15 Cl N2 O2 Zn -","- C11 H15 Cl N2 O2 Zn -","- C66 H90 Cl6 N12 O12 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.0915","0.0642","","","0.147","0.1665","","","","","","1.005","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107070","17.859","0.001","17.859","0.001","10.5031","0.0012","90","","90","","120","","2901.1","0.4","313","2","313","2","","","","","","","synthesized","6","P 61","P 61","169","","","","- C11 H15 Br N2 O2 Zn -","- C11 H15 Br N2 O2 Zn -","- C66 H90 Br6 N12 O12 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.06","0.0573","","","0.1512","0.1532","","","","","","1.071","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107071","15.023","0.003","17.813","0.003","30.48","0.005","90","","90","","90","","8157","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","10129","PPN[CupyN2ipr2OH]","","- C91 H83 Cu N4 O9 P2 -","- C79 H91 Cu N4 O6 P2 -","- C316 H364 Cu4 N16 O24 P8 -","4","1","","Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman","Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex","Journal of the American Chemical Society","2011","133","","17602","17605","10.1021/ja207882h","","","0.71073","MoKα","","0.0928","0.0542","","","0.1146","0.1255","","","","","","0.956","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107072","15.0982","0.0016","17.8967","0.0019","30.531","0.003","90","","90","","90","","8249.7","1.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","10173s","PPN[CupyN2ipr2Cl]","","- C87 H75 Cl Cu N4 O7 P2 -","- C79 H91 Cl Cu N4 O5 P2 -","- C316 H364 Cl4 Cu4 N16 O20 P8 -","4","1","","Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman","Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex","Journal of the American Chemical Society","2011","133","","17602","17605","10.1021/ja207882h","","","0.71073","MoKα","","0.0812","0.0483","","","0.1094","0.1215","","","","","","0.966","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107073","14.646","0.005","15.53","0.005","38.561","0.012","90","","92.899","0.005","90","","8760","5","123","2","123","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","11012","(CupyN2ipr2)(CH3CN)","","- C52 H62 Cu N4 O2 -","- C40 H48 Cu N4 O2 -","- C320 H384 Cu8 N32 O16 -","8","2","","Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman","Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex","Journal of the American Chemical Society","2011","133","","17602","17605","10.1021/ja207882h","","","0.71073","MoKα","","0.1083","0.0734","","","0.2043","0.2174","","","","","","1.109","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107074","36.363","","15.363","","15.08","","90","","90","","90","","8424.36","","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","11112s","(CupyN2ipr2)(H2O)","","- C31 H39 Cu N3 O2 -","- C62 H78 Cu2 N6 O6 -","- C248 H312 Cu8 N24 O24 -","4","0.5","","Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman","Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex","Journal of the American Chemical Society","2011","133","","17602","17605","10.1021/ja207882h","","","0.71073","MoKα","","0.063","0.0474","","","0.1361","0.1425","","","","","","1.083","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107075","14.9697","0.0005","13.7277","0.0004","16.5604","0.0012","90","","112.163","0.008","90","","3151.7","0.3","95","2","95","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 F6 N2 O2 Pd -","- C33 H32 F6 N2 O2 Pd -","- C132 H128 F24 N8 O8 Pd4 -","4","1","","Joy M. Racowski; Nicholas D. Ball; Melanie S. Sanford","C-H Bond Activation at Palladium(IV) Centers","Journal of the American Chemical Society","2011","133","","18022","18025","10.1021/ja2051099","","","1.54187","CuKα","","0.0984","0.0729","","","0.1909","0.2483","","","","","","1.16","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107076","14.863","0.0003","13.6599","0.0003","20.9345","0.0015","90","","103.885","0.007","90","","4126.1","0.3","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 Cl3 F3 N2 Pd -","- C45 H46 Cl3 F3 N2 Pd -","- C180 H184 Cl12 F12 N8 Pd4 -","4","1","","Joy M. Racowski; Nicholas D. Ball; Melanie S. Sanford","C-H Bond Activation at Palladium(IV) Centers","Journal of the American Chemical Society","2011","133","","18022","18025","10.1021/ja2051099","","","1.54178","CuKα","","0.0406","0.0392","","","0.0958","0.0964","","","","","","1.093","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107077","10.386","0.011","18.76","0.02","27.36","0.03","90","","99.125","0.018","90","","5263","10","253","2","253","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 Cl2 N O2 Os P2 Si -","- C57 H55 Cl2 N O2 Os P2 Si -","- C228 H220 Cl8 N4 O8 Os4 P8 Si4 -","4","1","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MoKα","","0.0307","0.0226","","","0.048","0.0499","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107078","12.058","0.001","12.4671","0.001","14.8212","0.0012","83.779","0.002","72.02","0.002","75.575","0.002","2051.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H44 Cl2 N O2 Os P2 Si -","- C45 H44 Cl2 N O2 Os P2 Si -","- C90 H88 Cl4 N2 O4 Os2 P4 Si2 -","2","1","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MoKα","","0.0862","0.0613","","","0.0993","0.1069","","","","","","1.002","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107079","10.1908","0.001","17.7202","0.0018","24.634","0.003","90","","95.552","0.001","90","","4427.6","0.8","173.15","","173.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 Cl2 N O Os P2 Si -","- C48 H43 Cl2 N O Os P2 Si -","- C192 H172 Cl8 N4 O4 Os4 P8 Si4 -","4","1","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MoKα","","0.0489","0.0315","","","0.0591","0.0621","","","","","","1.019","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107080","21.2492","0.001","10.049","0.0005","39.926","0.002","90","","99.803","0.001","90","","8401","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H37 Cl7 O Os P2 -","- C43.5 H37 Cl7 O Os P2 -","- C348 H296 Cl56 O8 Os8 P16 -","8","1","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MoKα","","0.0323","0.0268","","","0.0618","0.0637","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107081","10.0996","0.0007","18.2847","0.0012","23.7928","0.0016","90","","94.946","0.001","90","","4377.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Cl3 O Os P2 Si -","- C48 H50 Cl3 O Os P2 Si -","- C192 H200 Cl12 O4 Os4 P8 Si4 -","4","1","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MoKα","","0.0744","0.0368","","","0.0549","0.0591","","","","","","1.029","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107082","26.725","0.004","10.8721","0.0018","26.968","0.005","90","","91.165","0.002","90","","7834","2","100","2","100.15","","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C42.75 H36.5 Cl3.5 N O3 Os P2 -","- C42.75 H35 Cl3.5 N O3 Os P2 -","- C342 H280 Cl28 N8 O24 Os8 P16 -","8","2","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MOKα","","0.0568","0.0496","","","0.1128","0.116","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107083","11.1701","0.0002","22.4204","0.0003","16.2299","0.0002","90","","104.591","0.003","90","","3933.5","0.11","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H49 B N9 O6 P S W -","- C34 H49 B N9 O6 P S W -","- C136 H196 B4 N36 O24 P4 S4 W4 -","4","1","","Daniel P. Harrison; Diana A. Iovan; William H. Myers; Michal Sabat; Sisi Wang; Victor E. Zottig; W. Dean Harman","[4 + 2] Cyclocondensation Reactions of Tungsten-Dihydropyridine Complexes and the Generation of Tri- and Tetrasubstituted Piperidines","Journal of the American Chemical Society","2011","133","","18378","18387","10.1021/ja2075086","","","0.71073","MoKα","","0.0421","0.0274","","","0.0809","0.097","","","","","","0.7","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107084","25.1379","0.0004","19.8266","0.0003","7.9009","0.0001","90","","90","","90","","3937.8","0.1","153","2","153","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C30 H43 B Cl3 N9 O6 P S W -","- C30 H43 B Cl3 N9 O6 P S W -","- C120 H172 B4 Cl12 N36 O24 P4 S4 W4 -","4","1","","Daniel P. Harrison; Diana A. Iovan; William H. Myers; Michal Sabat; Sisi Wang; Victor E. Zottig; W. Dean Harman","[4 + 2] Cyclocondensation Reactions of Tungsten-Dihydropyridine Complexes and the Generation of Tri- and Tetrasubstituted Piperidines","Journal of the American Chemical Society","2011","133","","18378","18387","10.1021/ja2075086","","","0.71073","MoKα","","0.0299","0.024","","","0.0707","0.0792","","","","","","0.634","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107085","9.6277","0.0003","27.2822","0.0007","15.4514","0.0004","90","","101.055","0.001","90","","3983.23","0.19","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 B Cl6 N9 O5 P S W -","- C29 H37 B Cl6 N9 O5 P S W -","- C116 H148 B4 Cl24 N36 O20 P4 S4 W4 -","4","1","","Daniel P. Harrison; Diana A. Iovan; William H. Myers; Michal Sabat; Sisi Wang; Victor E. Zottig; W. Dean Harman","[4 + 2] Cyclocondensation Reactions of Tungsten-Dihydropyridine Complexes and the Generation of Tri- and Tetrasubstituted Piperidines","Journal of the American Chemical Society","2011","133","","18378","18387","10.1021/ja2075086","","","0.71073","MoKα","","0.0409","0.029","","","0.0873","0.0997","","","","","","0.741","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107086","17.156","0.001","23.184","0.002","17.542","0.001","90","","106.337","0.003","90","","6695.5","0.8","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29.5 H40.5 B N9 O3 P W -","- C29.5 H40.5 B N9 O3 P W -","- C236 H324 B8 N72 O24 P8 W8 -","8","2","","Daniel P. Harrison; Diana A. Iovan; William H. Myers; Michal Sabat; Sisi Wang; Victor E. Zottig; W. Dean Harman","[4 + 2] Cyclocondensation Reactions of Tungsten-Dihydropyridine Complexes and the Generation of Tri- and Tetrasubstituted Piperidines","Journal of the American Chemical Society","2011","133","","18378","18387","10.1021/ja2075086","","","0.71073","MoKα","","0.0847","0.0516","","","0.1285","0.1515","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107087","27.048","0.006","14.838","0.003","11.731","0.003","90","","101.587","0.003","90","","4612.2","1.8","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C46 H44 F14 N2 O4 -","- C46 H44 F14 N2 O4 -","- C184 H176 F56 N8 O16 -","4","1","","Wan Yue; Jing Gao; Yan Li; Wei Jiang; Simone Di Motta; Fabrizia Negri; Zhaohui Wang","One-Pot Synthesis of Stable NIR Tetracene Diimides via Double Cross-Coupling","Journal of the American Chemical Society","2011","133","","18054","18057","10.1021/ja207630a","","","0.71073","MoKα","","0.0602","0.0571","","","0.1465","0.1496","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107088","10.3554","0.0005","12.125","0.0006","18.9776","0.0009","93.287","0.002","95.883","0.002","110.272","0.002","2212.41","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 Cr2 N8 -","- C46 H48 Cr2 N8 -","- C92 H96 Cr4 N16 -","2","1","","Elliott B. Hulley; Peter T. Wolczanski; Emil B. Lobkovsky","Carbon-Carbon Bond Formation from Azaallyl and Imine Couplings about Metal-Metal Bonds","Journal of the American Chemical Society","2011","133","","18058","18061","10.1021/ja207638h","","","0.71073","MoKα","","0.0521","0.0381","","","0.1088","0.1168","","","","","","1.104","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107089","15.506","0.002","15.506","0.002","23.508","0.004","90","","90","","90","","5652.2","1.4","173","2","173","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C34 H36 Co2 N8 -","- C34 H36 Co2 N8 -","- C272 H288 Co16 N64 -","8","0.5","","Elliott B. Hulley; Peter T. Wolczanski; Emil B. Lobkovsky","Carbon-Carbon Bond Formation from Azaallyl and Imine Couplings about Metal-Metal Bonds","Journal of the American Chemical Society","2011","133","","18058","18061","10.1021/ja207638h","","","0.71073","MoKα","","0.0328","0.0282","","","0.0617","0.0638","","","","","","1.002","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107090","15.4762","0.0009","15.4762","0.0009","23.6634","0.0014","90","","90","","90","","5667.7","0.6","173","2","173","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C34 H36 N8 Ni2 -","- C34 H36 N8 Ni2 -","- C272 H288 N64 Ni16 -","8","0.5","","Elliott B. Hulley; Peter T. Wolczanski; Emil B. Lobkovsky","Carbon-Carbon Bond Formation from Azaallyl and Imine Couplings about Metal-Metal Bonds","Journal of the American Chemical Society","2011","133","","18058","18061","10.1021/ja207638h","","","0.71073","MoKα","","0.0559","0.0385","","","0.0846","0.0924","","","","","","0.998","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107091","15.051","0.001","9.7","0.001","27.781","0.003","90","","93.933","0.003","90","","4046.3","0.7","295","2","295","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C38 H27 Ag F15 O2 P -","- C38 H27 Ag F15 O2 P -","- C152 H108 Ag4 F60 O8 P4 -","4","1","","Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready","Chiral Allene-Containing Phosphines in Asymmetric Catalysis","Journal of the American Chemical Society","2011","133","","18066","18069","10.1021/ja207748r","","","0.71069","MoKα","","0.1421","0.0894","","","0.1878","0.2167","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107092","14.586","0.002","14.058","0.002","16.988","0.002","90","","102.1","0.04","90","","3406","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C67 H63 F24 O2 P2 Rh -","- C67 H63 F24 O2 P2 Rh -","- C134 H126 F48 O4 P4 Rh2 -","2","1","","Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready","Chiral Allene-Containing Phosphines in Asymmetric Catalysis","Journal of the American Chemical Society","2011","133","","18066","18069","10.1021/ja207748r","","","0.71073","MoKα","","0.0877","0.0716","","","0.1397","0.1463","","","","","","1.201","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107093","12.9845","0.0003","13.4713","0.0004","17.6974","0.0007","91.562","0.002","95.931","0.002","116.391","0.002","2748.81","0.16","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H33 Cl3 F24 P2 Pt -","- C52 H31 Cl F24 P2 Pt -","- C104 H62 Cl2 F48 P4 Pt2 -","2","1","","Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready","Chiral Allene-Containing Phosphines in Asymmetric Catalysis","Journal of the American Chemical Society","2011","133","","18066","18069","10.1021/ja207748r","","","0.71069","MoKα","","0.0431","0.0329","","","0.0653","0.0676","","","","","","1.059","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107094","19.7185","0.0005","9.8541","0.0002","19.9184","0.0007","90","","91.13","0.001","90","","3869.55","0.19","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 Cl2 F12 P Pt -","- C36 H27 Cl2 F12 P Pt -","- C144 H108 Cl8 F48 P4 Pt4 -","4","1","","Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready","Chiral Allene-Containing Phosphines in Asymmetric Catalysis","Journal of the American Chemical Society","2011","133","","18066","18069","10.1021/ja207748r","","","0.71069","MoKα","","0.0778","0.0471","","","0.1167","0.135","","","","","","0.946","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107095","11.9292","0.0012","13.7023","0.0013","17.4694","0.0017","98.876","0.003","101.348","0.003","114.727","0.004","2451.6","0.4","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H116 P4 Ru2 -","- C120 H116 P4 Ru2 -","- C120 H116 P4 Ru2 -","1","0.5","","Mark A. Fox; Boris Le Guennic; Rachel L. Roberts; Daniel A. Brue; Dmitry S. Yufit; Judith A. K. Howard; Gabriele Manca; Jean-François Halet; František Hartl; Paul J. Low","Simultaneous Bridge-Localized and Mixed-Valence Character in Diruthenium Radical Cations Featuring Diethynylaromatic Bridging Ligands","Journal of the American Chemical Society","2011","133","","18433","18446","10.1021/ja207827m","","","0.71073","MoKα","","0.1851","0.0769","","","0.1695","0.241","","","","","","0.993","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107096","12.2385","0.0003","22.4341","0.0005","13.0592","0.0003","90","","99.025","0.001","90","","3541.14","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H86 O2 P4 Ru2 -","- C84 H86 O2 P4 Ru2 -","- C168 H172 O4 P8 Ru4 -","2","0.5","","Mark A. Fox; Boris Le Guennic; Rachel L. Roberts; Daniel A. Brue; Dmitry S. Yufit; Judith A. K. Howard; Gabriele Manca; Jean-François Halet; František Hartl; Paul J. Low","Simultaneous Bridge-Localized and Mixed-Valence Character in Diruthenium Radical Cations Featuring Diethynylaromatic Bridging Ligands","Journal of the American Chemical Society","2011","133","","18433","18446","10.1021/ja207827m","","","0.71073","Mo-Kα","","0.0383","0.0302","","","0.0762","0.0819","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107097","10.7459","0.0004","16.2778","0.0006","17.4964","0.0007","94.685","0.002","99.974","0.002","95.389","0.002","2985.9","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H57 B Cl F20 O P Zr -","- C64 H57 B Cl F20 O P Zr -","- C128 H114 B2 Cl2 F40 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.1008","0.0761","","","0.2049","0.2189","","","","","","1.145","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107098","10.7416","0.0001","13.5111","0.0002","17.9314","0.0002","90","","99.51","0.001","90","","2566.63","0.05","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H48 B F20 O P Zr -","- C56 H48 B F20 O P Zr -","- C112 H96 B2 F40 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0389","0.0327","","","0.07","0.0735","","","","","","1.045","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107099","11.4617","0.0006","17.7678","0.0008","22.7861","0.001","90","","100.121","0.002","90","","4568.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H32 B F20 O3 P Zr -","- C49 H32 B F20 O3 P Zr -","- C196 H128 B4 F80 O12 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.069","0.0643","","","0.147","0.1507","","","","","","1.021","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107100","10.4215","0.0015","15.429","0.002","17.406","0.003","90.117","0.007","89.619","0.007","93.56","0.007","2793.3","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H52 B F20 O3 P Zr -","- C59 H52 B F20 O3 P Zr -","- C118 H104 B2 F40 O6 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0385","0.032","","","0.084","0.0874","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107101","10.5975","0.0006","14.9161","0.0008","19.468","0.0011","102.343","0.003","97.646","0.004","107.362","0.003","2804.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H54 B F20 O3 P Zr -","- C59 H54 B F20 O3 P Zr -","- C118 H108 B2 F40 O6 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0677","0.0451","","","0.1112","0.129","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107102","10.6168","0.0004","15.6577","0.0006","34.2381","0.0012","90","","94.068","0.002","90","","5677.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H52 B F20 O2 P Zr -","- C59 H52 B F20 O2 P Zr -","- C236 H208 B4 F80 O8 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0597","0.0462","","","0.1012","0.1064","","","","","","1.101","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107103","10.9035","0.0002","29.5252","0.0005","19.8647","0.0004","90","","94.231","0.001","90","","6377.6","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C69 H59.5 B Cl0.5 F20 O P Zr -","- C69 H59.5 B Cl0.5 F20 O P Zr -","- C276 H238 B4 Cl2 F80 O4 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0743","0.0448","","","0.1025","0.1171","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107104","10.4747","0.0004","15.5156","0.0005","17.3448","0.0006","89.757","0.001","89.532","0.002","86.53","0.001","2813.62","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H56 B F20 O P Zr -","- C60 H56 B F20 O P Zr -","- C120 H112 B2 F40 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0286","0.0256","","","0.0653","0.0669","","","","","","1.036","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107105","10.7053","0.0002","16.7854","0.0003","18.9334","0.0004","64.47","0.001","85.548","0.001","85.835","0.001","3057.84","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H56 B Cl4 F20 O P Zr -","- C60 H56 B Cl4 F20 O P Zr -","- C120 H112 B2 Cl8 F40 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0312","0.028","","","0.0725","0.0744","","","","","","1.054","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107106","10.7652","0.0012","16.937","0.0017","17.8214","0.0019","93.034","0.006","102.341","0.006","95.1","0.006","3153.1","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H64 B Cl F21 O P Zr -","- C67 H64 B Cl F21 O P Zr -","- C134 H128 B2 Cl2 F42 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.1401","0.129","","","0.2918","0.298","","","","","","1.217","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107107","17.4078","0.0005","16.4785","0.0005","17.7185","0.0005","90","","104.025","0.002","90","","4931.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 B F20 O2 P Zr -","- C52 H40 B F20 O2 P Zr -","- C208 H160 B4 F80 O8 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.1563","0.1523","","","0.3393","0.3408","","","","","","1.225","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107108","10.6515","0.0002","16.8318","0.0003","17.9615","0.0003","95.449","0.001","104.148","0.001","93.935","0.001","3094.32","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H64.5 B Cl0.5 F20 O2 P Zr -","- C66 H64.5 B Cl0.5 F20 O2 P Zr -","- C132 H129 B2 Cl F40 O4 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0485","0.0378","","","0.0972","0.1035","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107109","19.7552","0.0003","16.0962","0.0002","15.3579","0.0002","90","","90","","90","","4883.56","0.12","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C52 H42 B F20 O2 P Zr -","- C52 H42 B F20 O2 P Zr -","- C208 H168 B4 F80 O8 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.027","0.0246","","","0.0596","0.0612","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107110","10.7058","0.0003","16.8021","0.0005","17.3832","0.0005","93.162","0.002","100.509","0.002","95.665","0.002","3050.86","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H62 B F20 O2 P Zr -","- C62 H62 B F20 O2 P Zr -","- C124 H124 B2 F40 O4 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0616","0.0491","","","0.1244","0.1307","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107111","8.6735","0.0003","22.8862","0.0008","21.9481","0.0008","90","","93.156","0.002","90","","4350.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 La O2 P -","- C36 H56 La O2 P -","- C144 H224 La4 O8 P4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0269","0.0233","","","0.0571","0.0587","","","","","","1.034","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107112","10.6578","0.0003","16.5432","0.0005","17.6072","0.0006","96.235","0.001","100.157","0.001","94.86","0.001","3020.51","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H58.5 B Cl0.5 F20 O2 P Zr -","- C64 H58.5 B Cl0.5 F20 O2 P Zr -","- C128 H117 B2 Cl F40 O4 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0306","0.0277","","","0.0712","0.0739","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107113","9.9407","0.0019","10.2407","0.002","18.024","0.004","84.081","0.005","75.579","0.004","70.851","0.005","1678.2","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H53 N2 Ni P -","- C38 H53 N2 Ni P -","- C76 H106 N4 Ni2 P2 -","2","1","","Masato Ohashi; Ippei Takeda; Masashi Ikawa; Sensuke Ogoshi","Nickel-Catalyzed Dehydrogenative [4 + 2] Cycloaddition of 1,3-Dienes with Nitriles","Journal of the American Chemical Society","2011","133","","18018","18021","10.1021/ja208162w","","","0.71075","MoKα","","0.1654","0.0904","","","0.2104","0.2891","","","","","","1.115","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107114","10.039","0.004","12.481","0.005","16.806","0.007","95.525","0.009","96.536","0.009","94.289","0.01","2074.5","1.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H55 N3 Ni -","- C50 H55 N3 Ni -","- C100 H110 N6 Ni2 -","2","1","","Masato Ohashi; Ippei Takeda; Masashi Ikawa; Sensuke Ogoshi","Nickel-Catalyzed Dehydrogenative [4 + 2] Cycloaddition of 1,3-Dienes with Nitriles","Journal of the American Chemical Society","2011","133","","18018","18021","10.1021/ja208162w","","","0.71075","MoKα","","0.2273","0.0877","","","0.1132","0.166","","","","","","1.021","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107115","9.8805","0.0006","12.7636","0.0008","16.4167","0.0008","96.318","0.002","97.314","0.002","108.6","0.002","1921.07","0.19","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H61 N Ni P -","- C45 H61 N Ni P -","- C90 H122 N2 Ni2 P2 -","2","1","","Masato Ohashi; Ippei Takeda; Masashi Ikawa; Sensuke Ogoshi","Nickel-Catalyzed Dehydrogenative [4 + 2] Cycloaddition of 1,3-Dienes with Nitriles","Journal of the American Chemical Society","2011","133","","18018","18021","10.1021/ja208162w","","","0.71075","MoKα","","0.1483","0.0698","","","0.1386","0.2242","","","","","","1.163","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107116","13.3664","0.0007","13.3664","0.0007","39.316","0.004","90","","90","","90","","7024.2","0.9","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","FMOF-1,2toluene","","","- C38 H16 Ag6 F36 N18 -","- C38 H16 Ag6 F36 N18 -","- C152 H64 Ag24 F144 N72 -","4","0.25","","Chi Yang; Ushasree Kaipa; Qian Zhang Mather; Xiaoping Wang; Vladimir Nesterov; Augustin F. Venero; Mohammad A. Omary","Fluorous Metal-Organic Frameworks with Superior Adsorption and Hydrophobic Properties toward Oil Spill Cleanup and Hydrocarbon Storage","Journal of the American Chemical Society","2011","133","","18094","18097","10.1021/ja208408n","","","0.71073","MoKα","","0.0621","0.046","","","0.1261","0.1558","","","","","","1.097","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107117","23.4261","0.0014","23.4261","0.0014","12.2033","0.0015","90","","90","","120","","5799.7","0.9","100","2","100","2","","","","","","","","5","P 6/m","-P 6","175","FMOF-2,4toluene","","","- C52 H32 Ag6 F36 N18 -","- C52 H32 Ag6 F36 N18 -","- C156 H96 Ag18 F108 N54 -","3","0.25","","Chi Yang; Ushasree Kaipa; Qian Zhang Mather; Xiaoping Wang; Vladimir Nesterov; Augustin F. Venero; Mohammad A. Omary","Fluorous Metal-Organic Frameworks with Superior Adsorption and Hydrophobic Properties toward Oil Spill Cleanup and Hydrocarbon Storage","Journal of the American Chemical Society","2011","133","","18094","18097","10.1021/ja208408n","","","0.71073","MoKα","","0.0735","0.064","","","0.1639","0.1732","","","","","","1.459","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107118","18.4713","0.0017","11.625","0.0011","18.703","0.0018","90","","103.472","0.002","90","","3905.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H62 Br O P Pd -","- C41 H62 Br O P Pd -","- C164 H248 Br4 O4 P4 Pd4 -","4","1","","Thomas J. Maimone; Phillip J. Milner; Tom Kinzel; Yong Zhang; Michael K. Takase; Stephen L. Buchwald","Evidence for in Situ Catalyst Modification during the Pd-Catalyzed Conversion of Aryl Triflates to Aryl Fluorides","Journal of the American Chemical Society","2011","133","","18106","18109","10.1021/ja208461k","","","0.71073","MoKα","","0.0529","0.0319","","","0.0659","0.0733","","","","","","1.016","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107119","11.7544","0.001","11.9376","0.001","16.5466","0.0014","75.412","0.002","71.071","0.002","62.967","0.002","1941.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H62 Br O2 P Pd -","- C41 H62 Br O2 P Pd -","- C82 H124 Br2 O4 P2 Pd2 -","2","1","","Thomas J. Maimone; Phillip J. Milner; Tom Kinzel; Yong Zhang; Michael K. Takase; Stephen L. Buchwald","Evidence for in Situ Catalyst Modification during the Pd-Catalyzed Conversion of Aryl Triflates to Aryl Fluorides","Journal of the American Chemical Society","2011","133","","18106","18109","10.1021/ja208461k","","","0.71073","MoKα","","0.0336","0.0264","","","0.0602","0.0628","","","","","","1.03","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107120","19.9808","0.0017","20.8738","0.0018","22.375","0.002","90","","90","","90","","9332.1","1.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H74 Br O2 P Pd -","- C51 H74 Br O2 P Pd -","- C408 H592 Br8 O16 P8 Pd8 -","8","1","","Thomas J. Maimone; Phillip J. Milner; Tom Kinzel; Yong Zhang; Michael K. Takase; Stephen L. Buchwald","Evidence for in Situ Catalyst Modification during the Pd-Catalyzed Conversion of Aryl Triflates to Aryl Fluorides","Journal of the American Chemical Society","2011","133","","18106","18109","10.1021/ja208461k","","","0.71073","MoKα","","0.055","0.0433","","","0.1083","0.1148","","","","","","1.046","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107121","10.633","0.004","11.053","0.004","16.941","0.006","107.083","0.007","102.721","0.008","96.416","0.01","1822.9","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H61 O P -","- C41 H61 O P -","- C82 H122 O2 P2 -","2","1","","Thomas J. Maimone; Phillip J. Milner; Tom Kinzel; Yong Zhang; Michael K. Takase; Stephen L. Buchwald","Evidence for in Situ Catalyst Modification during the Pd-Catalyzed Conversion of Aryl Triflates to Aryl Fluorides","Journal of the American Chemical Society","2011","133","","18106","18109","10.1021/ja208461k","","","0.71073","MoKα","","0.0674","0.0464","","","0.1112","0.1233","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107122","20.6183","0.0011","11.3406","0.0006","19.2147","0.001","90","","90.439","0.003","90","","4492.7","0.4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H71 B Fe N2 Na O P3 Si -","- C43 H71 B Fe N2 Na O P3 Si -","- C172 H284 B4 Fe4 N8 Na4 O4 P12 Si4 -","4","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.1186","0.051","","","0.0875","0.1071","","","","","","0.997","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107123","10.7723","0.0005","11.3518","0.0005","20.438","0.0009","78.098","0.002","78.462","0.002","62.107","0.002","2145.87","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.5 H68 B Fe N2 P3 Si -","- C41.5 H68 B Fe N2 P3 Si -","- C83 H136 B2 Fe2 N4 P6 Si2 -","2","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.0487","0.035","","","0.0989","0.1065","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107124","12.0358","0.0004","12.2087","0.0005","19.5934","0.0007","107.196","0.002","91.58","0.002","101.338","0.002","2685.4","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H82 B Fe N2 O P3 Si3 -","- C47 H82 B Fe N2 O P3 Si3 -","- C94 H164 B2 Fe2 N4 O2 P6 Si6 -","2","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.0691","0.0374","","","0.0877","0.1012","","","","","","1.01","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107125","11.2149","0.0005","24.117","0.001","37.5403","0.0013","90","","90","","90","","10153.5","0.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H79 B Fe N3 P3 Si2 -","- C47 H79 B Fe N3 P3 Si2 -","- C376 H632 B8 Fe8 N24 P24 Si16 -","8","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.0715","0.0504","","","0.0963","0.1025","","","","","","1.144","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107126","23.4418","0.001","9.6272","0.0004","22.5854","0.0009","90","","116.834","0.002","90","","4548.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H70 B Fe N2 P3 Si2 -","- C42 H70 B Fe N2 P3 Si2 -","- C168 H280 B4 Fe4 N8 P12 Si8 -","4","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.0581","0.0392","","","0.0883","0.0963","","","","","","1.097","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107127","22.2063","0.0011","8.6597","0.0005","17.7277","0.0009","90","","112.912","0.001","90","","3140.1","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H44 Cl Mo N3 -","- C32 H44 Cl Mo N3 -","- C128 H176 Cl4 Mo4 N12 -","4","1","","Laura C. H. Gerber; Richard R. Schrock; Peter Müller; Michael K. Takase","Synthesis of Molybdenum Alkylidene Complexes That Contain the 2,6-Dimesitylphenylimido Ligand","Journal of the American Chemical Society","2011","133","","18142","18144","10.1021/ja208936s","","","0.71073","MoKα","","0.0175","0.0169","","","0.0431","0.0434","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107128","8.5068","0.0012","10.2626","0.0014","21.51","0.003","91.532","0.003","96.714","0.003","110.575","0.003","1741.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H42 Cl2 Mo N2 -","- C39 H42 Cl2 Mo N2 -","- C78 H84 Cl4 Mo2 N4 -","2","1","","Laura C. H. Gerber; Richard R. Schrock; Peter Müller; Michael K. Takase","Synthesis of Molybdenum Alkylidene Complexes That Contain the 2,6-Dimesitylphenylimido Ligand","Journal of the American Chemical Society","2011","133","","18142","18144","10.1021/ja208936s","","","0.71073","MoKα","","0.0443","0.0349","","","0.0791","0.0837","","","","","","1.069","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107129","16.251","0.003","16.403","0.004","24.476","0.005","71.259","0.005","87.158","0.005","68.692","0.005","5739","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68.5 H78.5 Cl Mo N2 O2 -","- C68.5 H78.5 Cl Mo N2 O2 -","- C274 H314 Cl4 Mo4 N8 O8 -","4","2","","Laura C. H. Gerber; Richard R. Schrock; Peter Müller; Michael K. Takase","Synthesis of Molybdenum Alkylidene Complexes That Contain the 2,6-Dimesitylphenylimido Ligand","Journal of the American Chemical Society","2011","133","","18142","18144","10.1021/ja208936s","","","0.71073","MoKα","","0.0803","0.0445","","","0.0931","0.1095","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107130","12.4432","0.0007","21.6411","0.0012","10.2993","0.0006","90","","90","","90","","2773.4","0.3","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","2b","","","- C26 H36 Cl3 N2 Ta -","- C26 H36 Cl3 N2 Ta -","- C104 H144 Cl12 N8 Ta4 -","4","0.5","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0684","0.0573","","","0.1428","0.1495","","","","","","1.072","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107131","15.355","0.004","16.774","0.005","18.605","0.005","111.449","0.002","102.867","0.002","101.062","0.002","4146","2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","3c","","","- C74 H84 Cl15 N4 Ta3 -","- C74 H84 Cl15 N4 Ta3 -","- C148 H168 Cl30 N8 Ta6 -","2","1","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0592","0.0556","","","0.1565","0.1601","","","","","","1.025","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107132","13.951","0.005","19.163","0.007","17.893","0.007","90","","111.36","0.003","90","","4455","3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","7b","","","- C42 H52 Cl7 N2 Ta -","- C42 H52 Cl7 N2 Ta -","- C168 H208 Cl28 N8 Ta4 -","4","1","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0864","0.0522","","","0.1216","0.1689","","","","","","1.181","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107133","8.9009","0.0019","8.942","0.002","10.699","0.003","82.986","0.011","71.318","0.008","67.524","0.009","745.4","0.3","113","2","113","2","","","","","","","","5","P 1","P 1","1","8a","","","- C28 H40 Cl4 N2 Ta -","- C28 H40 Cl4 N2 Ta -","- C28 H40 Cl4 N2 Ta -","1","1","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0306","0.0296","","","0.0643","0.0644","","","","","","0.943","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107134","12.961","0.004","21.687","0.006","10.283","0.003","90","","90","","90","","2890.4","1.5","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","8b","","","- C26 H36 Cl4 N2 Ta -","- C26 H36 Cl4 N2 Ta -","- C104 H144 Cl16 N8 Ta4 -","4","0.5","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0341","0.0293","","","0.0801","0.1019","","","","","","1.256","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107135","11.424","0.003","12.975","0.003","13.899","0.004","66.732","0.006","78.476","0.009","80.581","0.009","1846.2","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","8c","","","- C79 H80 Cl8 N4 Ta2 -","- C79 H80 Cl8 N4 Ta2 -","- C79 H80 Cl8 N4 Ta2 -","1","0.5","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0335","0.0293","","","0.0715","0.0886","","","","","","1.127","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107136","16.3263","0.001","17.2761","0.001","17.4555","0.0011","90","","90.027","0.003","90","","4923.4","0.5","113","2","113","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","9b","","","- C39 H49 Cl13 Co N2 Ta -","- C39 H49 Cl13 Co N2 Ta -","- C156 H196 Cl52 Co4 N8 Ta4 -","4","1","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0981","0.0663","","","0.1618","0.2017","","","","","","1.098","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107137","13.0809","0.0018","7.9962","0.0011","17.398","0.002","90","","90","","90","","1819.8","0.4","143","2","143","2","","","","","","","","6","P m c 21","P 2c -2","26","Tp*CoNO","bergman04","","- C15 H22 B Co N7 O -","- C15 H22 B Co N7 O -","- C60 H88 B4 Co4 N28 O4 -","4","1","","Neil C. Tomson; Mark R. Crimmin; Taras Petrenko; Lauren E. Rosebrugh; Stephen Sproules; W. Christopher Boyd; Robert G. Bergman; Serena DeBeer; F. Dean Toste; Karl Wieghardt","A Step beyond the Feltham-Enemark Notation: Spectroscopic and Correlated ab Initio Computational Support for an Antiferromagnetically Coupled M(II)-(NO)-Description of Tp*M(NO) (M = Co, Ni)","Journal of the American Chemical Society","2011","133","","18785","18801","10.1021/ja206042k","","","0.71073","MoKα","","0.0591","0.0395","","","0.074","0.0827","","","","","","1.048","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4107138","8.8202","0.0016","12.356","0.002","14.331","0.003","85.144","0.003","79.217","0.003","70.279","0.002","1443.9","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H21 Cl2 F6 N6 O P Ru -","- C24 H21 Cl2 F6 N6 O3 P Ru -","- C48 H42 Cl4 F12 N12 O6 P2 Ru2 -","2","1","","Tomoya Ishizuka; Kengo Tobita; Yuichi Yano; Yoshihito Shiota; Kazunari Yoshizawa; Shunichi Fukuzumi; Takahiko Kojima","Proton-Coupled Electron Shuttling in a Covalently Linked Ruthenium-Copper Heterodinuclear Complex","Journal of the American Chemical Society","2011","133","","18570","18573","10.1021/ja208141b","","","0.71073","MoKα","","0.0916","0.0564","","","0.132","0.1518","","","","","","1.031","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107139","9.1358","0.0008","12.1565","0.0011","12.4654","0.0011","107.847","0.002","94.415","0.002","100.224","0.002","1284","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Fe4 N2 O12 -","- C20 H20 Fe4 N2 O12 -","- C40 H40 Fe8 N4 O24 -","2","1","","M. Diego Rail; Louise A. Berben","Directing the Reactivity of [HFe4N(CO)12]- toward H+ or CO2 Reduction by Understanding the Electrocatalytic Mechanism","Journal of the American Chemical Society","2011","133","","18577","18579","10.1021/ja208312t","","","0.71073","MoKα","","0.0661","0.0446","","","0.1018","0.1087","","","","","","1.078","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107140","16.5787","0.0003","17.3242","0.0004","22.8168","0.0005","90","","106.406","0.001","90","","6286.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H41.5 Cl N3 O2 Pd S -","- C31.5 H41.5 Cl N3 O2 Pd S -","- C252 H332 Cl8 N24 O16 Pd8 S8 -","8","2","","Paul B. White; Shannon S. Stahl","Reversible Alkene Insertion into the Pd-N Bond of Pd(II)-Sulfonamidates and Implications for Catalytic Amidation Reactions","Journal of the American Chemical Society","2011","133","","18594","18597","10.1021/ja208560h","","","1.54178","CuKα","","0.0337","0.0318","","","0.077","0.0781","","","","","","1.089","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107141","13.443","0.003","18.101","0.004","28.587","0.006","90","","90","","90","","6956","3","113.1","","113.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C61 H86 Ag Ge3 I P6 Pd4 -","- C61 H86 Ag Ge3 I P6 Pd4 -","- C244 H344 Ag4 Ge12 I4 P24 Pd16 -","4","1","","Makoto Tanabe; Naoko Ishikawa; Mai Chiba; Tomohito Ide; Kohtaro Osakada; Tomoaki Tanase","Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core","Journal of the American Chemical Society","2011","133","","18598","18601","10.1021/ja208565q","","","0.7107","MoKα","","0.0743","0.0636","","","0.1344","0.1406","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107142","18.635","0.002","27.701","0.003","27.386","0.003","90","","99.7603","0.0014","90","","13932","3","113.1","","113.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C120 H184 Ge6 P12 Pd8 -","- C120 H170 Ge6 P12 Pd8 -","- C480 H680 Ge24 P48 Pd32 -","4","1","","Makoto Tanabe; Naoko Ishikawa; Mai Chiba; Tomohito Ide; Kohtaro Osakada; Tomoaki Tanase","Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core","Journal of the American Chemical Society","2011","133","","18598","18601","10.1021/ja208565q","","","0.7107","MoKα","","0.0983","0.0799","","","0.1158","0.1225","","","","","","1.302","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107143","13.83","0.007","14.631","0.008","16.86","0.008","98.179","0.009","99.519","0.007","102.421","0.008","3229","3","163","","163","","","","","","","","","6","P -1","-P 1","2","","","","- C110 H136 Ge6 P6 Pd6 S2 -","- C110 H136 Ge6 P6 Pd6 S2 -","- C110 H136 Ge6 P6 Pd6 S2 -","1","0.5","","Makoto Tanabe; Naoko Ishikawa; Mai Chiba; Tomohito Ide; Kohtaro Osakada; Tomoaki Tanase","Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core","Journal of the American Chemical Society","2011","133","","18598","18601","10.1021/ja208565q","","","0.7107","MoKα","","0.108","0.0789","","","0.2363","0.2672","","","","","","1.038","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107144","14.3194","0.0018","29.746","0.006","16.545","0.004","90","","91.426","0.007","90","","7045","2","113.1","","113.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H86 Cu Ge3 I P6 Pd4 -","- C61 H86 Cu Ge3 I P6 Pd4 -","- C244 H344 Cu4 Ge12 I4 P24 Pd16 -","4","1","","Makoto Tanabe; Naoko Ishikawa; Mai Chiba; Tomohito Ide; Kohtaro Osakada; Tomoaki Tanase","Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core","Journal of the American Chemical Society","2011","133","","18598","18601","10.1021/ja208565q","","","0.7107","MoKα","","0.109","0.0787","","","0.1844","0.2065","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107145","9.1178","0.0004","13.4299","0.0006","17.0872","0.0008","90","","90.568","0.001","90","","2092.24","0.16","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Cmpd 7","","- C19 H32 Mo N4 O2 -","- C19 H32 Mo N4 O2 -","- C76 H128 Mo4 N16 O8 -","4","1","","Jonathan P. Reeds; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Carbon Monoxide-Induced N-N Bond Cleavage of Nitrous Oxide That Is Competitive with Oxygen Atom Transfer to Carbon Monoxide As Mediated by a Mo(II)/Mo(IV) Catalytic Cycle","Journal of the American Chemical Society","2011","133","","18602","18605","10.1021/ja208669s","","","0.71073","MoKα","","0.0159","0.0157","","","0.0374","0.0375","","","","","","1","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107146","5.9857","0.0009","9.3466","0.0015","9.4874","0.0015","93.652","0.003","100.48","0.003","95.083","0.003","518.15","0.14","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C20 H20 N4 O8 -","2","1","","Matthew J. Kryger; Alexander M. Munaretto; Jeffrey S. Moore","Structure-Mechanochemical Activity Relationships for Cyclobutane Mechanophores","Journal of the American Chemical Society","2011","133","","18992","18998","10.1021/ja2086728","","","0.71073","MoKα","","0.0376","0.0337","","","0.0923","0.0947","","","","","","1.157","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107147","11.65","0.0004","5.8419","0.0003","15.9102","0.0007","90","","90","","90","","1082.82","0.08","193","2","193","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C40 H40 N8 O16 -","4","0.5","","Matthew J. Kryger; Alexander M. Munaretto; Jeffrey S. Moore","Structure-Mechanochemical Activity Relationships for Cyclobutane Mechanophores","Journal of the American Chemical Society","2011","133","","18992","18998","10.1021/ja2086728","","","0.71073","MoKα","","0.0428","0.0364","","","0.0912","0.0974","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107148","12.5062","0.001","6.2721","0.0005","13.3644","0.0013","90","","113.616","0.005","90","","960.51","0.15","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N O4 -","- C9 H11 N O4 -","- C36 H44 N4 O16 -","4","1","","Matthew J. Kryger; Alexander M. Munaretto; Jeffrey S. Moore","Structure-Mechanochemical Activity Relationships for Cyclobutane Mechanophores","Journal of the American Chemical Society","2011","133","","18992","18998","10.1021/ja2086728","","","0.71073","MoKα","","0.0809","0.0487","","","0.1124","0.1306","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107149","8.78","0.005","11","0.006","17.033","0.009","90","","98.066","0.006","90","","1628.8","1.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cis-indene carbonate","","","- C10 H8 O3 -","- C10 H8 O3 -","- C80 H64 O24 -","8","2","","Donald J. Darensbourg; Stephanie J. Wilson","Synthesis of Poly(indene carbonate) from Indene Oxide and Carbon Dioxide-A Polycarbonate with a Rigid Backbone","Journal of the American Chemical Society","2011","133","","18610","18613","10.1021/ja208711c","","","0.71073","MoKα","","0.0466","0.0369","","","0.0885","0.0951","","","","","","1.032","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107150","7.0295","0.0009","8.2003","0.001","11.7634","0.0016","90","","103.52","0.007","90","","659.3","0.15","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","indene oxide","","","- C9 H8 O -","- C9 H8 O -","- C36 H32 O4 -","4","1","","Donald J. Darensbourg; Stephanie J. Wilson","Synthesis of Poly(indene carbonate) from Indene Oxide and Carbon Dioxide-A Polycarbonate with a Rigid Backbone","Journal of the American Chemical Society","2011","133","","18610","18613","10.1021/ja208711c","","","1.54178","CuKα","","0.0614","0.0582","","","0.1362","0.1392","","","","","","1.214","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107151","12.166","0.004","7.707","0.003","17.558","0.006","90","","97.316","0.006","90","","1632.9","1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 B N -","- C24 H16 B N -","- C96 H64 B4 N4 -","4","1","","Takuji Hatakeyama; Sigma Hashimoto; Shu Seki; Masaharu Nakamura","Synthesis of BN-Fused Polycyclic Aromatics via Tandem Intramolecular Electrophilic Arene Borylation","Journal of the American Chemical Society","2011","133","","18614","18617","10.1021/ja208950c","","","0.7107","MoKα","","","0.0543","","","","0.1372","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107152","12.169","0.003","7.6028","0.0017","17.687","0.004","90","","97.532","0.004","90","","1622.3","0.7","173","","173","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Takuji Hatakeyama; Sigma Hashimoto; Shu Seki; Masaharu Nakamura","Synthesis of BN-Fused Polycyclic Aromatics via Tandem Intramolecular Electrophilic Arene Borylation","Journal of the American Chemical Society","2011","133","","18614","18617","10.1021/ja208950c","","","0.7107","MoKα","","","0.0395","","","","0.0953","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107153","9.6585","0.0012","8.3766","0.001","13.0807","0.0015","90","","97.107","0.004","90","","1050.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 Br O5 -","- C23 H25 Br O5 -","- C46 H50 Br2 O10 -","2","1","","Joseph Moran; Austin G. Smith; Ryan M. Carris; Jeffrey S. Johnson; Michael J. Krische","Polarity Inversion of Donor-Acceptor Cyclopropanes: Disubstituted δ-Lactones via Enantioselective Iridium Catalysis","Journal of the American Chemical Society","2011","133","","18618","18621","10.1021/ja2090993","","","0.71075","MoKα","","0.0365","0.0332","","","0.0748","0.0768","","","","","","1.079","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107154","28.449","0.006","9.742","0.0019","24.138","0.005","90","","117.76","0.03","90","","5920","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H72 Ge2 N2 Si2 -","- C72 H72 Ge2 N2 Si2 -","- C288 H288 Ge8 N8 Si8 -","4","0.5","","Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones","A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State","Journal of the American Chemical Society","2011","133","","18622","18625","10.1021/ja209215a","","","0.71069","Synchrotron","","0.0464","0.0444","","","0.1056","0.1069","","","","","","1.031","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107155","28.596","0.0008","9.7591","0.0002","24.3038","0.0006","90","","118.219","0.004","90","","5976.4","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H74 Ge2 N2 Si2 -","- C72 H74 Ge2 N2 Si2 -","- C288 H296 Ge8 N8 Si8 -","4","0.5","","Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones","A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State","Journal of the American Chemical Society","2011","133","","18622","18625","10.1021/ja209215a","","","0.71073","MoKα","","0.0471","0.0356","","","0.0822","0.0877","","","","","","1.037","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107156","11.1415","0.0005","13.5993","0.0006","14.7247","0.0005","113.957","0.004","112.224","0.004","92.658","0.004","1833.89","0.17","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H96 Ge2 N2 O2 Si2 -","- C80 H96 Ge2 N2 O2 Si2 -","- C80 H96 Ge2 N2 O2 Si2 -","1","0.5","","Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones","A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State","Journal of the American Chemical Society","2011","133","","18622","18625","10.1021/ja209215a","","","0.71073","MoKα","","0.1035","0.0718","","","0.1657","0.1873","","","","","","1.033","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107157","10.826","0.0004","13.3018","0.0005","13.9126","0.0005","117.252","0.004","99.217","0.003","99.726","0.003","1689.77","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H86 Ge2 N2 O2 Si2 -","- C76 H86 Ge2 N2 O2 Si2 -","- C76 H86 Ge2 N2 O2 Si2 -","1","0.5","","Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones","A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State","Journal of the American Chemical Society","2011","133","","18622","18625","10.1021/ja209215a","","","0.71073","MoKα","","0.1041","0.0582","","","0.0888","0.1045","","","","","","0.987","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107158","12.375","0.003","21.468","0.004","14.592","0.003","90","","107.58","0.03","90","","3695.6","1.5","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C80 H95 Ge2 K N2 O2 Si2 -","- C80 H95 Ge2 K N2 O2 Si2 -","- C160 H190 Ge4 K2 N4 O4 Si4 -","2","1","","Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones","A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State","Journal of the American Chemical Society","2011","133","","18622","18625","10.1021/ja209215a","","","0.71073","MoKα","","0.0718","0.049","","","0.0823","0.0912","","","","","","1.073","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107159","9.3325","0.0009","13.9742","0.0014","30.898","0.003","90","","90","","90","","4029.5","0.7","","","","","","","","","","","heptane,propanole","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 I N -","- C25 H22 I N -","- C200 H176 I8 N8 -","8","2","","Steffen Müller; Matthew J. Webber; Benjamin List","The Catalytic Asymmetric Fischer Indolization","Journal of the American Chemical Society","2011","133","","18534","18537","10.1021/ja2092163","","","","","","","","","","","","","","","","","","","","","has coordinates","296166","2024-11-29","15:16:34",""
"4107160","9.7906","0.0005","12.3495","0.0007","14.1529","0.0008","90.083","0.001","106.97","0.001","111.328","0.001","1513.45","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H30 F6 Ir N5 O6 S2 -","- C24 H30 F6 Ir N5 O6 S2 -","- C48 H60 F12 Ir2 N10 O12 S4 -","2","1","","Douglas B. Grotjahn; Derek B. Brown; Jessica K. Martin; David C. Marelius; Marie-Caline Abadjian; Hai N. Tran; Gregory Kalyuzhny; Kenneth S. Vecchio; Zephen G. Specht; Sara A. Cortes-Llamas; Valentin Miranda-Soto; Christoffel van Niekerk; Curtis E. Moore; Arnold L. Rheingold","Evolution of Iridium-Based Molecular Catalysts during Water Oxidation with Ceric Ammonium Nitrate","Journal of the American Chemical Society","2011","133","","19024","19027","10.1021/ja203095k","","","0.71073","MoKα","","0.039","0.0333","","","0.0682","0.0715","","","","","","1.051","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107161","12.9799","0.0007","14.7278","0.0007","16.9878","0.0008","67.787","0.002","82.985","0.002","81.55","0.002","2966","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 B F24 N3 Pt -","- C58 H44 B F24 N3 Pt -","- C116 H88 B2 F48 N6 Pt2 -","2","1","","Bradley A. McKeown; Hector Emanuel Gonzalez; Max R. Friedfeld; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat","Mechanistic Studies of Ethylene Hydrophenylation Catalyzed by Bipyridyl Pt(II) Complexes","Journal of the American Chemical Society","2011","133","","19131","19152","10.1021/ja206064v","","","0.71073","MoKα","","0.0649","0.0463","","","0.1209","0.1349","","","","","","0.892","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107162","10.2446","0.0002","10.4139","0.0002","14.1631","0.0003","81.36","0.001","78.361","0.001","82.855","0.001","1456.22","0.05","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C60 H49 B F24 N2 Pt -","- C60 H49 B F24 N2 Pt -","- C60 H49 B F24 N2 Pt -","1","1","","Bradley A. McKeown; Hector Emanuel Gonzalez; Max R. Friedfeld; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat","Mechanistic Studies of Ethylene Hydrophenylation Catalyzed by Bipyridyl Pt(II) Complexes","Journal of the American Chemical Society","2011","133","","19131","19152","10.1021/ja206064v","","","0.71073","MoKα","","0.0237","0.0237","","","0.0616","0.0616","","","","","","0.976","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107163","18.169","0.0005","21.4934","0.0006","24.074","0.0006","90","","90","","90","","9401.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94.7 H80.75 Br4 O11.3 Rh2 -","- C94.7 H80.75 Br4 O11.3 Rh2 -","- C378.8 H323 Br16 O45.2 Rh8 -","4","1","","Changming Qin; Vyacheslav Boyarskikh; Jørn H. Hansen; Kenneth I. Hardcastle; Djamaladdin G. Musaev; Huw M. L. Davies","D2-Symmetric Dirhodium Catalyst Derived from a 1,2,2-Triarylcyclopropanecarboxylate Ligand: Design, Synthesis and Application","Journal of the American Chemical Society","2011","133","","19198","19204","10.1021/ja2074104","","","1.54178","CuKα","","0.0461","0.0446","","","0.1319","0.1338","","","","","","1.07","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107164","9.6051","0.0007","14.9897","0.0009","24.7674","0.0017","90","","96.221","0.003","90","","3545","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 B2 Cl2 N2 -","- C39 H48 B2 Cl2 N2 -","- C156 H192 B8 Cl8 N8 -","4","1","","Philipp Bissinger; Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kupfer; Krzysztof Radacki; Katharina Wagner","Generation of a Carbene-Stabilized Bora-borylene and its Insertion into a C-H Bond","Journal of the American Chemical Society","2011","133","","19044","19047","10.1021/ja208372k","","","0.71073","MoKα","","0.0504","0.0377","","","0.0921","0.1006","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107165","16.1228","0.0008","20.1874","0.0011","12.8165","0.0007","90","","108.469","0.002","90","","3956.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 B2 N2 -","- C46 H56 B2 N2 -","- C184 H224 B8 N8 -","4","1","","Philipp Bissinger; Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kupfer; Krzysztof Radacki; Katharina Wagner","Generation of a Carbene-Stabilized Bora-borylene and its Insertion into a C-H Bond","Journal of the American Chemical Society","2011","133","","19044","19047","10.1021/ja208372k","","","0.71073","MoKα","","0.0866","0.0568","","","0.1458","0.1647","","","","","","1.037","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107166","7.9621","0.001","20.604","0.003","26.06","0.004","90","","92.513","0.007","90","","4271.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 B Br2 N2 -","- C11 H19 B Br2 N2 -","- C132 H228 B12 Br24 N24 -","12","3","","Philipp Bissinger; Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kupfer; Krzysztof Radacki; Katharina Wagner","Generation of a Carbene-Stabilized Bora-borylene and its Insertion into a C-H Bond","Journal of the American Chemical Society","2011","133","","19044","19047","10.1021/ja208372k","","","0.71073","MoKα","","0.0415","0.0332","","","0.079","0.0838","","","","","","1.028","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107167","44.004","0.002","12.4437","0.0007","10.1127","0.0005","90","","90.85","0.001","90","","5536.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cl N -","- C32 H44 Cl N -","- C256 H352 Cl8 N8 -","8","2","","Shibu Abraham; Richard G. Weiss","'Remote' Adiabatic Photoinduced Deprotonation and Aggregate Formation of Amphiphilic N-Alkyl-N-methyl-3-(pyren-1-yl)propan-1-ammonium Chloride Salts","Journal of the American Chemical Society","2011","133","","19250","19256","10.1021/ja208674s","","x-ray","0.71073","MoKα","","0.0717","0.0495","","","0.112","0.1201","","","","","","1.027","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107168","21.2913","0.0006","23.7666","0.0008","21.8524","0.0009","90","","100.523","0.003","90","","10871.8","0.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[((iPrNHC)Cu-CO2-SiMe2Ph)(pinB-CO2-SiMe2Ph)]","","","- C53.5 H76 B Cu N2 O6 Si2 -","- C53.5 H76 B Cu N2 O6 Si2 -","- C428 H608 B8 Cu8 N16 O48 Si16 -","8","4","","Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond","Journal of the American Chemical Society","2011","133","","19060","19063","10.1021/ja208969d","","","1.54184","CuKα","","0.1156","0.0732","","","0.1681","0.193","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107169","13.5028","0.0004","17.0624","0.0005","18.3259","0.0006","71.894","0.001","81.313","0.001","73.53","0.001","3839.2","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","[(iPrNHC)Cu-CO2-SiMe2Ph]","","","- C39 H54 Cu N2 O2 Si -","- C39 H54 Cu N2 O2 Si -","- C156 H216 Cu4 N8 O8 Si4 -","4","2","","Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond","Journal of the American Chemical Society","2011","133","","19060","19063","10.1021/ja208969d","","","0.71073","MoKα","","0.0853","0.059","","","0.1534","0.1727","","","","","","1.075","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107170","12.9446","0.0002","16.1548","0.0003","20.9756","0.0003","86.428","0.001","72.63","0.001","69.661","0.002","3921.11","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[(iPrNHC)Cu-CO2-SiMe2Ph]","","","- C37.33 H48.52 Cu N2 O2 Si -","- C37.3355 H48.5268 Cu N2 O2 Si1.00025 -","- C149.342 H194.107 Cu4 N8 O8 Si4.001 -","4","2","","Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond","Journal of the American Chemical Society","2011","133","","19060","19063","10.1021/ja208969d","","","0.71073","MoKα","","0.0766","0.0585","","","0.1582","0.1698","","","","","","1.057","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107171","10.4429","0.0001","20.2606","0.0002","18.8888","0.0002","90","","95.372","0.001","90","","3978.93","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(iPrNHC)Cu-O-SiMe2Ph]","","","- C42 H55 Cu N2 O Si -","- C42 H55 Cu N2 O Si -","- C168 H220 Cu4 N8 O4 Si4 -","4","1","","Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond","Journal of the American Chemical Society","2011","133","","19060","19063","10.1021/ja208969d","","","1.54184","CuKα","","0.0453","0.0445","","","0.1086","0.109","","","","","","1.125","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107172","10.2902","0.0002","20.1875","0.0004","18.9985","0.0002","90","","97.761","0.002","90","","3910.47","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(iPrNHC)Cu-SiMe2Ph]","","","- C41.21 H56.57 Cu N2 Si -","- C41.214 H56.572 Cu N2 Si -","- C164.856 H226.288 Cu4 N8 Si4 -","4","1","","Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond","Journal of the American Chemical Society","2011","133","","19060","19063","10.1021/ja208969d","","","0.71073","MoKα","","0.0531","0.0403","","","0.0862","0.0913","","","","","","1.068","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107173","4.7093","0.0004","9.813","0.0008","30.237","0.003","90","","90","","90","","1397.3","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","","Will R. Gutekunst; Phil S. Baran","Total Synthesis and Structural Revision of the Piperarborenines via Sequential Cyclobutane C-H Arylation","Journal of the American Chemical Society","2011","133","","19076","19079","10.1021/ja209205x","","","0.71073","MoKα","","0.0354","0.0332","","","0.0881","0.0913","","","","","","0.966","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107174","12.6275","0.0004","8.5892","0.0003","20.4658","0.0006","90","","99.32","","90","","2190.42","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O6 S -","- C23 H27 N O6 S -","- C92 H108 N4 O24 S4 -","4","1","","Will R. Gutekunst; Phil S. Baran","Total Synthesis and Structural Revision of the Piperarborenines via Sequential Cyclobutane C-H Arylation","Journal of the American Chemical Society","2011","133","","19076","19079","10.1021/ja209205x","","","0.71073","MoKα","","0.0385","0.034","","","0.0815","0.0857","","","","","","1.065","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107175","19.0063","0.0005","9.0198","0.0003","20.7729","0.0006","90","","100.566","0.002","90","","3500.78","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H43 N O10 S -","- C36 H43 N O10 S -","- C144 H172 N4 O40 S4 -","4","1","","Will R. Gutekunst; Phil S. Baran","Total Synthesis and Structural Revision of the Piperarborenines via Sequential Cyclobutane C-H Arylation","Journal of the American Chemical Society","2011","133","","19076","19079","10.1021/ja209205x","","","0.71073","MoKα","","0.1209","0.0775","","","0.2103","0.2474","","","","","","1.015","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107176","30.384","0.004","18.213","0.003","12.9003","0.0015","90","","95.38","0.01","90","","7107.4","1.7","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H26 N2 O8 -","- C48 H26 N2 O8 -","- C384 H208 N16 O64 -","8","1","","Zhixue Zhu; Christine J. Cardin; Yu Gan; Claire A. Murray; Andrew J. P. White; David J. Williams; Howard M. Colquhoun","Conformational Modulation of Sequence Recognition in Synthetic Macromolecules","Journal of the American Chemical Society","2011","133","","19442","19447","10.1021/ja2067115","","","1.54178","CuKα","","0.0884","0.0572","","","0.1448","0.1602","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107177","15.9918","0.0002","35.2582","0.0005","26.4571","0.0003","90","","102.261","0.001","90","","14577.4","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C89 H53 N5 O10 -","- C89 H53 N5 O10 -","- C712 H424 N40 O80 -","8","2","","Zhixue Zhu; Christine J. Cardin; Yu Gan; Claire A. Murray; Andrew J. P. White; David J. Williams; Howard M. Colquhoun","Conformational Modulation of Sequence Recognition in Synthetic Macromolecules","Journal of the American Chemical Society","2011","133","","19442","19447","10.1021/ja2067115","","","1.5418","CuKα","","0.1406","0.1122","","0.3069","0.2697","0.3069","","","","","","0.9523","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107178","10.5615","0.0016","19.679","0.003","22.733","0.003","90","","99.964","0.008","90","","4653.6","1.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H70 Dy Li O3 Si4 -","- C39.5 H70 Dy Li O3 Si4 -","- C158 H280 Dy4 Li4 O12 Si16 -","4","1","","Matthew Jeletic; Po-Heng Lin; Jennifer J. Le Roy; Ilia Korobkov; Serge I. Gorelsky; Muralee Murugesu","An Organometallic Sandwich Lanthanide Single-Ion Magnet with an Unusual Multiple Relaxation Mechanism","Journal of the American Chemical Society","2011","133","","19286","19289","10.1021/ja207891y","","","0.71073","MoKα","","0.0323","0.0254","","","0.0653","0.0693","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107179","8.735","0.004","15.966","0.008","13.967","0.007","90","","99.947","0.006","90","","1918.6","1.6","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H30 Cl2 O8 P2 -","- C45 H30 Cl2 O8 P2 -","- C90 H60 Cl4 O16 P4 -","2","1","","Norie Momiyama; Tohru Konno; Yuichi Furiya; Takeaki Iwamoto; Masahiro Terada","Design of Chiral Bis-phosphoric Acid Catalyst Derived from (R)-3,3'-Di(2-hydroxy-3-arylphenyl)binaphthol: Catalytic Enantioselective Diels-Alder Reaction of α,β-Unsaturated Aldehydes with Amidodienes","Journal of the American Chemical Society","2011","133","","19294","19297","10.1021/ja2081444","","","0.71073","MoKα","","0.0727","0.0554","","","0.1257","0.136","","","","","","1.03","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107180","12.08","0.0002","6.576","0.0001","19.293","0.0004","90","","104.5","0.001","90","","1483.78","0.05","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H15 N O2 S -","- C18 H15 N O2 S -","- C72 H60 N4 O8 S4 -","4","1","","Ourida Saidi; Jameel Marafie; Araminta E. W. Ledger; Po Man Liu; Mary F. Mahon; Gabriele Kociok-Köhn; Michael K. Whittlesey; Christopher G. Frost","Ruthenium-Catalyzed Meta Sulfonation of 2-Phenylpyridines","Journal of the American Chemical Society","2011","133","","19298","19301","10.1021/ja208286b","","","0.71073","MoKα","","0.0506","0.0391","","","0.0941","0.1002","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107181","8.297","0.0012","17.003","0.0019","12.099","0.0016","90","","100.028","0.009","90","","1680.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O2 S -","- C21 H15 N O2 S -","- C84 H60 N4 O8 S4 -","4","1","","Ourida Saidi; Jameel Marafie; Araminta E. W. Ledger; Po Man Liu; Mary F. Mahon; Gabriele Kociok-Köhn; Michael K. Whittlesey; Christopher G. Frost","Ruthenium-Catalyzed Meta Sulfonation of 2-Phenylpyridines","Journal of the American Chemical Society","2011","133","","19298","19301","10.1021/ja208286b","","","0.71073","MoKα","","0.1046","0.0739","","","0.1759","0.1977","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107182","11.6399","0.0004","6.7536","0.0002","17.8463","0.0007","90","","92.162","0.002","90","","1401.92","0.08","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H12 F N O2 S -","- C17 H12 F N O2 S -","- C68 H48 F4 N4 O8 S4 -","4","1","","Ourida Saidi; Jameel Marafie; Araminta E. W. Ledger; Po Man Liu; Mary F. Mahon; Gabriele Kociok-Köhn; Michael K. Whittlesey; Christopher G. Frost","Ruthenium-Catalyzed Meta Sulfonation of 2-Phenylpyridines","Journal of the American Chemical Society","2011","133","","19298","19301","10.1021/ja208286b","","","0.71073","MoKα","","0.0582","0.0403","","","0.0928","0.1012","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107183","9.919","0.003","7.278","0.002","9.294","0.003","90","","117.149","0.005","90","","597","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 B N -","- C4 H12 B N -","- C16 H48 B4 N4 -","4","1","","Wei Luo; Patrick G. Campbell; Lev N. Zakharov; Shih-Yuan Liu","A Single-Component Liquid-Phase Hydrogen Storage Material","Journal of the American Chemical Society","2011","133","","19326","19329","10.1021/ja208834v","","","0.71073","MoKα","","0.0884","0.071","","","0.1978","0.2147","","","","","","1.081","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107184","7.8247","0.0014","15.827","0.003","13.759","0.002","90","","91.391","0.003","90","","1703.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 B N O2 -","- C6 H16 B N O2 -","- C48 H128 B8 N8 O16 -","8","2","","Wei Luo; Patrick G. Campbell; Lev N. Zakharov; Shih-Yuan Liu","A Single-Component Liquid-Phase Hydrogen Storage Material","Journal of the American Chemical Society","2011","133","","19326","19329","10.1021/ja208834v","","","0.71073","MoKα","","0.1099","0.067","","","0.147","0.1701","","","","","","1.043","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107185","11.048","0.004","16.791","0.006","19.079","0.007","71.951","0.005","73.731","0.005","77.086","0.005","3194","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Sc2C2@Cs(6)-C82Triphenyle","Sc2C2@Cs(6)-C82Triphenylemethyl pyrrolidine","","- C117.5 H44 N Sc2 -","- C117.508 H44 N Sc2.0002 -","- C235.016 H88 N2 Sc4.0004 -","2","1","","Xing Lu; Koji Nakajima; Yuko Iiduka; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","Structural Elucidation and Regioselective Functionalization of An Unexplored Carbide Cluster Metallofullerene Sc2C2@Cs(6)-C82","Journal of the American Chemical Society","2011","133","","19553","19558","10.1021/ja208841w","","","0.71073","MoKα","","0.1589","0.0935","","","0.2089","0.2478","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107186","20.4","0.002","16.8402","0.0018","21.336","0.002","90","","92.337","0.002","90","","7323.7","1.3","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H58 F12 Fe N11 O1.5 P2 -","- C78 H58 F12 Fe N11 O1.5 P2 -","- C312 H232 F48 Fe4 N44 O6 P8 -","4","1","","S. Alan Cramer; David M. Jenkins","Synthesis of Aziridines from Alkenes and Aryl Azides with a Reusable Macrocyclic Tetracarbene Iron Catalyst","Journal of the American Chemical Society","2011","133","","19342","19345","10.1021/ja2090965","","","0.71073","MoKα","","0.085","0.0655","","","0.1811","0.2009","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107187","17.61","0.0005","17.61","0.0005","17.61","0.0005","90","","90","","90","","5461.1","0.3","293","2","293","2","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","","","- Cu12 K12 Sn21 -","- Cu12 K12.005 Sn21 -","- Cu48 K48.02 Sn84 -","4","0.0833333","","Saskia Stegmaier; Thomas F. Fässler","A Bronze Matryoshka: The Discrete Intermetalloid Cluster [Sn@Cu12@Sn20]^12-^ in the Ternary Phases A~12~Cu~12~Sn~21~ (A = Na, K)","Journal of the American Chemical Society","2011","133","","19758","19768","10.1021/ja205934p","","x-ray","0.71073","MoKα","","0.0417","0.04","","","0.0613","0.0618","","","","","","1.519","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107188","16.6253","0.0003","16.6253","0.0003","16.6253","0.0003","90","","90","","90","","4595.24","0.14","293","2","293","2","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","","","- Cu4 Na4 Sn7 -","- Cu4 Na4.08667 Sn7 -","- Cu48 Na49.04 Sn84 -","12","0.25","","Saskia Stegmaier; Thomas F. Fässler","A Bronze Matryoshka: The Discrete Intermetalloid Cluster [Sn@Cu12@Sn20]^12-^ in the Ternary Phases A~12~Cu~12~Sn~21~ (A = Na, K)","Journal of the American Chemical Society","2011","133","","19758","19768","10.1021/ja205934p","","x-ray","0.71073","MoKα","","0.0356","0.0354","","","0.0716","0.0716","","","","","","1.643","","","","has coordinates","289785","2024-02-12","08:29:27",""
"4107189","6.389","0.005","9.097","0.007","16.659","0.008","96.44","0.05","95.07","0.05","106.06","0.04","917.3","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 I3 S16 -","- C24 H24 I3 S16 -","- C24 H24 I3 S16 -","1","0.5","","Koichi Kikuchi; Takayuki Isono; Masayuki Kojima; Haruo Yoshimoto; Takeshi Kodama; Wataru Fujita; Keiichi Yokogawa; Harukazu Yoshino; Keizo Murata; Takayuki Kaihatsu; Hiroki Akutsu; Jun-ichi Yamada","Uniaxial Strain Orientation Dependence of Superconducting Transition Temperature (Tc) and Critical Superconducting Pressure (Pc) in β-(BDA-TTP)2I3","Journal of the American Chemical Society","2011","133","","19590","19593","10.1021/ja207353x","","","0.71073","MoKα","","0.0525","0.04","","","0.0828","0.0871","","","","","","1.288","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107190","14.3818","0.0006","6.4515","0.0003","15.0178","0.0006","90","","103.037","0.002","90","","1357.5","0.1","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H39 N O4 S Si -","- C27 H39 N O4 S Si -","- C54 H78 N2 O8 S2 Si2 -","2","1","","Ke Kong; Ziad Moussa; Changsuk Lee; Daniel Romo","Total Synthesis of the Spirocyclic Imine Marine Toxin (-)-Gymnodimine and an Unnatural C4-Epimer","Journal of the American Chemical Society","2011","133","","19844","19856","10.1021/ja207385y","","","1.54178","CuKα","","0.075","0.0711","","","0.1743","0.19","","","","","","1.089","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107191","6.79","0.002","14.525","0.005","26.401","0.01","90","","90","","90","","2603.8","1.5","110","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O7 -","- C27 H35 N O7 -","- C108 H140 N4 O28 -","4","1","","Ke Kong; Ziad Moussa; Changsuk Lee; Daniel Romo","Total Synthesis of the Spirocyclic Imine Marine Toxin (-)-Gymnodimine and an Unnatural C4-Epimer","Journal of the American Chemical Society","2011","133","","19844","19856","10.1021/ja207385y","","","0.71073","MoKα","","0.0786","0.0489","","","0.1071","0.122","","","","","","1.04","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107192","10.083","0.006","10.455","0.005","15.23","0.007","84.552","0.007","88.78","0.01","62.157","0.006","1412.7","1.3","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H42.5 F3 N O5.5 -","- C29 H42 F3 N O5.25 -","- C58 H84 F6 N2 O10.5 -","2","2","","Ke Kong; Ziad Moussa; Changsuk Lee; Daniel Romo","Total Synthesis of the Spirocyclic Imine Marine Toxin (-)-Gymnodimine and an Unnatural C4-Epimer","Journal of the American Chemical Society","2011","133","","19844","19856","10.1021/ja207385y","","","0.71073","MoKα","","0.1595","0.0957","","","0.23","0.2753","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107193","39.4197","0.0011","13.7261","0.0004","30.1648","0.0009","90","","122.154","0.001","90","","13818.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H90 Cl N13 O13 -","- C61.876 H86.628 Cl N13 O13 -","- C495.008 H693.024 Cl8 N104 O104 -","8","1","","Jide Xu; Todd M. Corneillie; Evan G. Moore; Ga-Lai Law; Nathaniel G. Butlin; Kenneth N. Raymond","Octadentate Cages of Tb(III) 2-Hydroxyisophthalamides: A New Standard for Luminescent Lanthanide Labels","Journal of the American Chemical Society","2011","133","","19900","19910","10.1021/ja2079898","","","1.54178","CuKα","","0.0548","0.0507","","","0.146","0.1495","","","","","","1.035","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107194","9.0591","0.0004","17.7788","0.0009","24.8997","0.0014","90","","90","","90","","4010.3","0.4","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","7","","","- C40 H63 N2 O2 Si Y -","- C40 H63 N2 O2 Si Y -","- C160 H252 N8 O8 Si4 Y4 -","4","1","","Hiroshi Kaneko; Haruki Nagae; Hayato Tsurugi; Kazushi Mashima","End-Functionalized Polymerization of 2-Vinylpyridine through Initial C-H Bond Activation of N-Heteroaromatics and Internal Alkynes by Yttrium Ene-Diamido Complexes","Journal of the American Chemical Society","2011","133","","19626","19629","10.1021/ja208293h","","","0.71075","MoKα","","0.0721","0.051","","","0.0993","0.1207","","","","","","1.04","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107195","17.407","0.004","37.264","0.008","29.795","0.006","90","","101.927","0.003","90","","18909","7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C83 H55 Cl3 F3 N8 O2 P1.5 S8 -","- C83 H55 Cl3 F3 N8 O2 P1.5 S8 -","- C664 H440 Cl24 F24 N64 O16 P12 S64 -","8","1","","Nagao Kobayashi; Taniyuki Furuyama; Koh Satoh","Rationally Designed Phthalocyanines Having Their Main Absorption Band beyond 1000 nm","Journal of the American Chemical Society","2011","133","","19642","19645","10.1021/ja208481q","","","0.71073","MoKα","","0.2032","0.0879","","","0.2228","0.2526","","","","","","0.845","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107196","21.535","0.004","22.948","0.005","25.314","0.005","97.01","0.03","101.86","0.03","92.81","0.03","12116","5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C216 H176 F24 N8 O40 Ru8 S8 -","- C216 H176 F24 N8 O40 Ru8 S8 -","- C432 H352 F48 N16 O80 Ru16 S16 -","2","1","","Vaishali Vajpayee; Young Ho Song; Timothy R. Cook; Hyunuk Kim; Youngil Lee; Peter J. Stang; Ki-Whan Chi","A Unique Non-catenane Interlocked Self-Assembled Supramolecular Architecture and Its Photophysical Properties","Journal of the American Chemical Society","2011","133","","19646","19649","10.1021/ja208495u","","","0.9","synchrotron","","0.1198","0.0939","","","0.2812","0.3001","","","","","","1.209","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107197","6.041","0.01","8.879","0.014","14.65","0.02","77.063","0.019","79.437","0.019","85.652","0.018","752","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,2,4-triazole-3,5-diamine (E)-1,2-bis(3-(trinitromethyl)-1H-1,2,4- triazol-5-yl)diazene methanol hydrate","","- C6 H11 N12 O8 -","- C6 H11 N12 O8 -","- C12 H22 N24 O16 -","2","1","","Venugopal Thottempudi; Jean'ne M. Shreeve","Synthesis and Promising Properties of a New Family of High-Density Energetic Salts of 5-Nitro-3-trinitromethyl-1H-1,2,4-triazole and 5,5'-Bis(trinitromethyl)-3,3'-azo-1H-1,2,4-triazole","Journal of the American Chemical Society","2011","133","","19982","19992","10.1021/ja208990z","","","0.71073","MoKα","","0.1698","0.075","","","0.1749","0.2242","","","","","","0.981","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107198","5.0968","0.0006","5.0968","0.0006","4.4553","0.0007","90","","90","","120","","100.23","0.02","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C Ca F K O3 -","- C Ca F K O3 -","- C Ca F K O3 -","1","0.0833333","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0108","0.0108","","","0.0272","0.0272","","","","","","1.26","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107199","5.2598","0.0005","5.2598","0.0005","4.6956","0.0011","90","","90","","120","","112.5","0.03","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C F K O3 Sr -","- C F K O3 Sr -","- C F K O3 Sr -","1","0.0833333","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0152","0.0152","","","0.0267","0.0267","","","","","","0.891","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107200","9.1979","0.0006","9.1979","0.0006","4.4463","0.0006","90","","90","","120","","325.77","0.05","293","2","293","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C Ca F O3 Rb -","- C Ca F O3 Rb -","- C3 Ca3 F3 O9 Rb3 -","3","0.25","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0198","0.0195","","","0.0352","0.0353","","","","","","0.976","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4107201","5.3","0.0004","5.3","0.0004","4.79","0.0006","90","","90","","120","","116.525","0.019","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C F O3 Rb Sr -","- C F O3 Rb Sr -","- C F O3 Rb Sr -","1","0.0833333","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0246","0.0239","","","0.05","0.0501","","","","","","1.071","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107202","9.2999","0.0004","9.2999","0.0004","4.54","0.0003","90","","90","","120","","340.05","0.03","293","2","293","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C Ca Cs F O3 -","- C Ca Cs F O3 -","- C3 Ca3 Cs3 F3 O9 -","3","0.25","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0182","0.0182","","","0.0449","0.0449","","","","","","1.306","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4107203","11.5158","0.0009","11.5158","0.0009","7.6132","0.0012","90","","90","","120","","874.35","0.17","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C3 Ba4 Cs3 F5 O9 -","- C3 Ba4 Cs3 F5 O9 -","- C6 Ba8 Cs6 F10 O18 -","2","0.166667","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0201","0.0188","","","0.037","0.0446","","","","","","1.167","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107204","74.992","0.003","74.992","0.003","74.992","0.003","90","","90","","90","","421740","3","90","2","90","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C58.65 H45.93 Co N12.72 O2.72 S2 -","- C58.724 H45.997 Co N12.727 O2.727 S2 -","- C11275 H8831.42 Co192 N2443.58 O523.584 S384 -","192","1","","Yasuhide Inokuma; Nodoka Kojima; Tatsuhiko Arai; Makoto Fujita","Bimolecular Reaction via the Successive Introduction of Two Substrates into the Crystals of Networked Molecular Cages","Journal of the American Chemical Society","2011","133","","19691","19693","10.1021/ja209290t","","","0.71073","MoKα","","0.1747","0.1581","","","0.3892","0.3986","","","","","","2.894","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107205","4.6161","0.0004","10.4035","0.0008","19.2977","0.0013","90","","90","","90","","926.74","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aR,9aS)-4-hydroxy-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","","Michael Binanzer; Sheng-Ying Hsieh; Jeffrey W. Bode","Catalytic Kinetic Resolution of Cyclic Secondary Amines","Journal of the American Chemical Society","2011","133","","19698","19701","10.1021/ja209472h","","","1.54178","CuKα","","0.0699","0.0436","","","0.1064","0.1239","","","","","","0.794","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107206","7.9767","0.0013","13.028","0.002","13.623","0.003","100.705","0.002","101.795","0.003","97.157","0.003","1342.1","0.4","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H90 Br2 Si2 -","- C56 H90 Br2 Si2 -","- C56 H90 Br2 Si2 -","1","0.5","","Katsunori Suzuki; Tsukasa Matsuo; Daisuke Hashizume; Kohei Tamao","Room-Temperature Dissociation of 1,2-Dibromodisilenes to Bromosilylenes","Journal of the American Chemical Society","2011","133","","19710","19713","10.1021/ja209736d","","","0.71073","MoKα","","0.0556","0.0386","","","0.0941","0.103","","","","","","1.026","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107207","19.547","0.003","12.545","0.0019","14.345","0.002","90","","90","","90","","3517.6","0.9","153","","153","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H55 Br N2 Si -","- C39 H55 Br N2 Si -","- C156 H220 Br4 N8 Si4 -","4","1","","Katsunori Suzuki; Tsukasa Matsuo; Daisuke Hashizume; Kohei Tamao","Room-Temperature Dissociation of 1,2-Dibromodisilenes to Bromosilylenes","Journal of the American Chemical Society","2011","133","","19710","19713","10.1021/ja209736d","","","0.71073","MoKα","","0.0549","0.0408","","","0.0769","0.0833","","","","","","0.97","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107208","21.785","0.003","12.4724","0.0015","25.669","0.003","90","","98.697","0.002","90","","6894.4","1.5","223","","223","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H55 Br Si3 -","- C32 H55 Br Si3 -","- C256 H440 Br8 Si24 -","8","2","","Katsunori Suzuki; Tsukasa Matsuo; Daisuke Hashizume; Kohei Tamao","Room-Temperature Dissociation of 1,2-Dibromodisilenes to Bromosilylenes","Journal of the American Chemical Society","2011","133","","19710","19713","10.1021/ja209736d","","","0.71073","MoKα","","0.1105","0.0694","","","0.1738","0.1992","","","","","","1.075","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107209","14.239","0.003","8.1646","0.0017","15.033","0.003","90","","92.854","0.003","90","","1745.5","0.6","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O3 S -","- C20 H17 N3 O3 S -","- C80 H68 N12 O12 S4 -","4","1","","Debashis Mandal; Atsushi D. Yamaguchi; Junichiro Yamaguchi; Kenichiro Itami","Synthesis of Dragmacidin D via Direct C-H Couplings","Journal of the American Chemical Society","2011","133","","19660","19663","10.1021/ja209945x","","","0.7107","MoKα","","0.0514","0.0418","","","0.0994","0.1059","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107210","9.588","0.004","10.753","0.004","15.679","0.006","94.815","0.008","95.074","0.004","101.252","0.007","1570.7","1.1","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Br N4 O5 S -","- C35 H35 Br N4 O5 S -","- C70 H70 Br2 N8 O10 S2 -","2","1","","Debashis Mandal; Atsushi D. Yamaguchi; Junichiro Yamaguchi; Kenichiro Itami","Synthesis of Dragmacidin D via Direct C-H Couplings","Journal of the American Chemical Society","2011","133","","19660","19663","10.1021/ja209945x","","","0.7107","MoKα","","0.0855","0.0579","","","0.1047","0.12","","","","","","1.106","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107211","5.465","0.002","6.41","0.003","10.984","0.005","90","","90","","90","","384.8","0.3","110","2","110","2","","","","","","","see text","3","P n m a","-P 2ac 2n","62","hydroxyacetone","1-hydroxypropan-2-one","","- C3 H6 O2 -","- C3 H6 O2 -","- C12 H24 O8 -","4","0.5","","Archna Sharma; Igor Reva; Rui Fausto; Susanne Hesse; Zhifeng Xue; Martin A. Suhm; Susanta K. Nayak; R.Sathishkumar; Rumpa Pal; Tayur N. Guru Row","Conformation-Changing Aggregation in Hydroxyacetone: A Combined Low-Temperature FTIR, Jet, and Crystallographic Study","Journal of the American Chemical Society","2011","133","","20194","20207","10.1021/ja2030646","","","0.71073","MoKα","","0.0446","0.0381","","","0.0903","0.093","","","","","","1.097","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107212","10.587","0.01","12.183","0.01","12.52","0.01","86.77","0.05","70.73","0.05","64.83","0.05","1373","2","10","","10","","","","","","","","see text","6","P -1","-P 1","2","","","","- C31 H26 B D3 F10 N -","- C31 H26 B D3 F10 N -","- C62 H52 B2 D6 F20 N2 -","2","1","","Felix Schulz; Victor Sumerin; Sami Heikkinen; Björn Pedersen; Cong Wang; Michiko Atsumi; Markku Leskelä; Timo Repo; Pekka Pyykkö; Winfried Petry; Bernhard Rieger","Molecular Hydrogen Tweezers: Structure and Mechanisms by Neutron Diffraction, NMR, and Deuterium Labeling Studies in Solid and Solution","Journal of the American Chemical Society","2011","133","","20245","20257","10.1021/ja206394w","","neutron","1.03","","","0.1315","0.0659","","","0.0645","0.0714","","","","","","1.42","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107213","18.8682","0.0006","7.0236","0.0002","9.8589","0.0003","90","","90.884","0.003","90","","1306.37","0.07","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Copper benzenediphosphonateester","Copper benzene-1,4-diphosphonatodimethylester","","- C8 H10 Cu O8 P2 -","- C8 H10 Cu O8 P2 -","- C32 H40 Cu4 O32 P8 -","4","0.5","","Simon S. Iremonger; Junmei Liang; Ramanathan Vaidhyanathan; Isaac Martens; George K. H. Shimizu; Thomas D. Daff; Mohammad Zein Aghaji; Saeid Yeganegi; Tom K. Woo","Phosphonate Monoesters as Carboxylate-like Linkers for Metal Organic Frameworks","Journal of the American Chemical Society","2011","133","","20048","20051","10.1021/ja207606u","","","1.54178","CuKα","","0.0631","0.0623","","","0.1633","0.1637","","","","","","1.178","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107214","18.566","0.002","7.7903","0.0006","9.7596","0.0012","90","","90.748","0.004","90","","1411.5","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Copper benzenediphosphonateester","Copper benzene-1,4-diphosphonatodiethylester","","- C10 H14 Cu O6 P2 -","- C10 H14 Cu O6 P2 -","- C40 H56 Cu4 O24 P8 -","4","0.5","","Simon S. Iremonger; Junmei Liang; Ramanathan Vaidhyanathan; Isaac Martens; George K. H. Shimizu; Thomas D. Daff; Mohammad Zein Aghaji; Saeid Yeganegi; Tom K. Woo","Phosphonate Monoesters as Carboxylate-like Linkers for Metal Organic Frameworks","Journal of the American Chemical Society","2011","133","","20048","20051","10.1021/ja207606u","","","0.71073","MoKα","","0.0793","0.073","","","0.1952","0.2034","","","","","","1.104","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107215","10.3435","0.0009","12.4348","0.0011","13.7303","0.0012","76.7247","0.0013","81.6108","0.0013","78.5633","0.0013","1675.3","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 B3 F20 N2 -","- C30 H23 B3 F20 N2 -","- C60 H46 B6 F40 N4 -","2","1","","Aleksandrs Prokofjevs; Edwin Vedejs","N-Directed Aliphatic C-H Borylation Using Borenium Cation Equivalents","Journal of the American Chemical Society","2011","133","","20056","20059","10.1021/ja208093c","","","0.71073","MoKα","","0.0451","0.0371","","","0.0968","0.1025","","","","","","1.033","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107216","24.348","0.014","7.37","0.004","20.786","0.011","90","","103.239","0.006","90","","3631","3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Fe4 N16 O8 -","- C28 H20 Fe4 N16 O8 -","- C112 H80 Fe16 N64 O32 -","4","0.5","","Jennifer L. Hess; Chung-Hung Hsieh; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg","Self-Assembly of Dinitrosyl Iron Units into Imidazolate-Edge-Bridged Molecular Squares: Characterization Including Mössbauer Spectroscopy","Journal of the American Chemical Society","2011","133","","20426","20434","10.1021/ja208384d","","","0.71073","MoKα","","0.1","0.054","","","0.1256","0.156","","","","","","1.009","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107217","11.833","0.002","57.141","0.011","19.069","0.004","90","","92.2","0.03","90","","12884","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Disilanol FPOSS","octakis(heptadecafluorodecyl)polyhedral oligomeric silsesquioxane diol","","- C80 H34 F136 O13 Si8 -","- C80 H34 F136 O13 Si8 -","- C320 H136 F544 O52 Si32 -","4","1","","Sean M. Ramirez; Yvonne J. Diaz; Raymond Campos; Rebecca L. Stone; Timothy S. Haddad; Joseph M. Mabry","Incompletely Condensed Fluoroalkyl Silsesquioxanes and Derivatives: Precursors for Low Surface Energy Materials","Journal of the American Chemical Society","2011","133","","20084","20087","10.1021/ja208506v","","x-ray","1.54178","CuKα","","0.0915","0.0857","","","0.1893","0.1918","","","","","","1.23","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107218","9.4018","0.0002","13.757","0.0003","15.2303","0.0003","75.605","0.001","78.476","0.001","70.614","0.001","1784.99","0.07","170","2","170","2","","","","","","","","7","P -1","-P 1","2","manganese(II) BnTPEN triflate monomethanol","","","- C30 H29 F6 Mn N5 O7 S2 -","- C30 H29 F6 Mn N5 O7 S2 -","- C60 H58 F12 Mn2 N10 O14 S4 -","2","1","","Xiujuan Wu; Mi Sook Seo; Katherine M. Davis; Yong-Min Lee; Junying Chen; Kyung-Bin Cho; Yulia N. Pushkar; Wonwoo Nam","A Highly Reactive Mononuclear Non-Heme Manganese(IV)-Oxo Complex That Can Activate the Strong C-H Bonds of Alkanes","Journal of the American Chemical Society","2011","133","","20088","20091","10.1021/ja208523u","","","0.71073","MoKα","","0.0486","0.041","","","0.1209","0.1305","","","","","","0.802","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107219","8.2308","0.0017","13.698","0.003","8.5629","0.0018","90","","92.556","0.004","90","","964.5","0.4","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 F3 O3 -","- C20 H25 F3 O3 -","- C40 H50 F6 O6 -","2","1","","Kohsuke Aikawa; Yūta Hioki; Natsumi Shimizu; Koichi Mikami","Catalytic Asymmetric Synthesis of Stable Oxetenes via Lewis Acid-Promoted [2 + 2] Cycloaddition","Journal of the American Chemical Society","2011","133","","20092","20095","10.1021/ja2085299","","","0.71073","MoKα","","0.0475","0.0401","","","0.0955","0.101","","","","","","1.03","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107220","5.8129","0.0006","21.954","0.002","40.108","0.004","90","","90","","90","","5118.4","0.9","93","0.1","93","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cl F3 O7 -","- C25 H28 Cl F3 O7 -","- C200 H224 Cl8 F24 O56 -","8","2","","Kohsuke Aikawa; Yūta Hioki; Natsumi Shimizu; Koichi Mikami","Catalytic Asymmetric Synthesis of Stable Oxetenes via Lewis Acid-Promoted [2 + 2] Cycloaddition","Journal of the American Chemical Society","2011","133","","20092","20095","10.1021/ja2085299","","","0.71073","","","0.077","0.0491","","","0.0908","0.1009","","","","","","0.995","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107221","23.4418","0.0019","12.9048","0.001","26.735","0.002","90","","90.821","0.002","90","","8086.8","1.1","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H57 Cl4 Cu2 N21 O16 -","- C78.008 H48 Cl4 Cu2 N21.004 O16 -","- C312.032 H192 Cl16 Cu8 N84.016 O64 -","4","0.5","","Nabanita Kundu; Manoranjan Maity; Pabitra Baran Chatterjee; Simon J. Teat; Akira Endo; Muktimoy Chaudhury","Reporting a Unique Example of Electronic Bistability Observed in the Form of Valence Tautomerism with a Copper(II) Helicate of a Redox-Active Nitrogenous Heterocyclic Ligand","Journal of the American Chemical Society","2011","133","","20104","20107","10.1021/ja2088986","","","0.7749","synchrotron","","0.0613","0.0558","","","0.1681","0.1742","","","","","","1.029","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107222","5.999","0.0005","11.8071","0.0009","19.7318","0.0015","90","","92.184","0.004","90","","1396.6","0.19","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cr O3 -","- C16 H16 Cr O3 -","- C64 H64 Cr4 O12 -","4","1","","Jiadi Zhang; Corneliu Stanciu; Beibei Wang; Mahmud M. Hussain; Chao-Shan Da; Patrick J. Carroll; Spencer D. Dreher; Patrick J. Walsh","Palladium-Catalyzed Allylic Substitution with (η6-Arene-CH2Z)Cr(CO)3-Based Nucleophiles","Journal of the American Chemical Society","2011","133","","20552","20560","10.1021/ja208935u","","","0.71073","MoKα","","0.0462","0.0434","","","0.1014","0.1034","","","","","","1.062","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107223","8.5","0.0008","10.8183","0.0011","11.1606","0.0011","90","","106.575","0.002","90","","983.63","0.17","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","07054","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C50 H46 N2 O4 -","2","1","","Barry M. Trost; Jia Xie; Joshua D. Sieber","The Palladium Catalyzed Asymmetric Addition of Oxindoles and Allenes: An Atom-Economical Versatile Method for the Construction of Chiral Indole Alkaloids","Journal of the American Chemical Society","2011","133","","20611","20622","10.1021/ja209244m","","","0.71073","MoKα","","0.0329","0.0304","","","0.0782","0.0809","","","","","","1.013","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107224","9.6172","0.0009","17.9956","0.0016","14.548","0.0013","90","","102.988","0.002","90","","2453.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","07090","","","- C29 H29 N O4 -","- C29 H29 N O4 -","- C116 H116 N4 O16 -","4","1","","Barry M. Trost; Jia Xie; Joshua D. Sieber","The Palladium Catalyzed Asymmetric Addition of Oxindoles and Allenes: An Atom-Economical Versatile Method for the Construction of Chiral Indole Alkaloids","Journal of the American Chemical Society","2011","133","","20611","20622","10.1021/ja209244m","","","0.71073","MoKα","","0.0565","0.0401","","","0.1047","0.1198","","","","","","1.022","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107225","7.9043","0.0001","8.2106","0.0001","17.9939","0.0001","90","","90","","90","","1167.79","0.02","105","2","105","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","YbCp3","","- C15 H15 Yb -","- C15 H15 Yb -","- C60 H60 Yb4 -","4","1","","Robert G. Denning; Jeffrey Harmer; Jennifer C. Green; Mark Irwin","Covalency in the 4f Shell oftris-Cyclopentadienyl Ytterbium (YbCp3)-A Spectroscopic Evaluation","Journal of the American Chemical Society","2011","133","","20644","20660","10.1021/ja209311g","","","0.71073","MoKα","","0.02","0.0194","","","0.0444","0.0447","","","","","","1.204","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107226","13.7007","0.0016","17.152","0.002","21.461","0.003","90","","90.003","0.003","90","","5043.2","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 N4 O14 Zn2 -","- C50 H64 N4 O14 Zn2 -","- C200 H256 N16 O56 Zn8 -","4","1","","Natalia B. Shustova; Brian D. McCarthy; Mircea Dincă","Turn-On Fluorescence in Tetraphenylethylene-Based Metal-Organic Frameworks: An Alternative to Aggregation-Induced Emission","Journal of the American Chemical Society","2011","133","","20126","20129","10.1021/ja209327q","","","0.71073","MoKα","","0.0668","0.0428","","","0.1047","0.1154","","","","","","1.04","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107227","11.4137","0.0016","16.592","0.002","26.041","0.003","90","","95.29","0.003","90","","4910.5","1.1","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Cd2 N2 O12 -","- C44.004 H32 Cd2 N2 O12 -","- C176.016 H128 Cd8 N8 O48 -","4","1","","Natalia B. Shustova; Brian D. McCarthy; Mircea Dincă","Turn-On Fluorescence in Tetraphenylethylene-Based Metal-Organic Frameworks: An Alternative to Aggregation-Induced Emission","Journal of the American Chemical Society","2011","133","","20126","20129","10.1021/ja209327q","","","0.71073","MoKα","","0.077","0.0581","","","0.1615","0.1796","","","","","","1.068","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107228","11.4917","0.0018","18.524","0.003","25.727","0.004","90","","96.28","0.003","90","","5443.7","1.5","100","2","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H55.2 Cd2 N2.8 O13 -","- C46 H27 Cd2 N2.8 O13 -","- C184 H108 Cd8 N11.2 O52 -","4","1","","Natalia B. Shustova; Brian D. McCarthy; Mircea Dincă","Turn-On Fluorescence in Tetraphenylethylene-Based Metal-Organic Frameworks: An Alternative to Aggregation-Induced Emission","Journal of the American Chemical Society","2011","133","","20126","20129","10.1021/ja209327q","","","0.71073","MoKα","","0.0492","0.0429","","","0.1336","0.1404","","","","","","1.128","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107229","17.065","0.005","9.155","0.003","26.964","0.008","90","","90.212","0.006","90","","4213","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 O12 -","- C46 H52 O12 -","- C184 H208 O48 -","4","1","","Natalia B. Shustova; Brian D. McCarthy; Mircea Dincă","Turn-On Fluorescence in Tetraphenylethylene-Based Metal-Organic Frameworks: An Alternative to Aggregation-Induced Emission","Journal of the American Chemical Society","2011","133","","20126","20129","10.1021/ja209327q","","","0.71073","MoKα","","0.1238","0.0952","","","0.2726","0.302","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107230","12.819","0.003","22.511","0.006","25.188","0.006","100.326","0.004","97.652","0.004","92.667","0.004","7069","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 K15 Na O156.5 P4 Re2 W35 -","- C6 K15 Na O156.5 P4 Re2 W35 -","- C12 K30 Na2 O313 P8 Re4 W70 -","2","1","","Chongchao Zhao; Zhuangqun Huang; William Rodríguez-Córdoba; Choon Sung Kambara; Kevin P. O'Halloran; Ken I. Hardcastle; Djamaladdin G. Musaev; Tianquan Lian; Craig L. Hill","Synthesis and Characterization of a Metal-to-Polyoxometalate Charge Transfer Molecular Chromophore","Journal of the American Chemical Society","2011","133","","20134","20137","10.1021/ja209360x","","","0.71073","MoKα","","0.175","0.0729","","","0.1355","0.1721","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107231","13.58","0.003","6.7581","0.0014","14.637","0.003","90","","111.968","0.003","90","","1245.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 B N2 -","- C11 H21 B N2 -","- C44 H84 B4 N8 -","4","1","","Senmiao Xu; Lev N. Zakharov; Shih-Yuan Liu","A 1,3-Dihydro-1,3-azaborine Debuts","Journal of the American Chemical Society","2011","133","","20152","20155","10.1021/ja2097089","","","0.71073","MoKα","","0.0684","0.0472","","","0.1196","0.1346","","","","","","1.033","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107232","10.051","0.0007","13.3654","0.0009","24.4607","0.0017","90","","90","","90","","3285.9","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H21 B Cr N2 O3 -","- C14 H21 B Cr N2 O3 -","- C112 H168 B8 Cr8 N16 O24 -","8","1","","Senmiao Xu; Lev N. Zakharov; Shih-Yuan Liu","A 1,3-Dihydro-1,3-azaborine Debuts","Journal of the American Chemical Society","2011","133","","20152","20155","10.1021/ja2097089","","","0.71073","MoKα","","0.0561","0.0485","","","0.1254","0.1323","","","","","","1.078","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107233","12.8296","0.0003","14.3749","0.0004","15.8508","0.0004","90","","90","","90","","2923.27","0.13","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C21 H37 Cl F3 Fe O3 P4 S -","- C21 H37 Cl F3 Fe O3 P4 S -","- C84 H148 Cl4 F12 Fe4 O12 P16 S4 -","4","1","","Wesley A. Hoffert; Anthony K. Rappé; Matthew P. Shores","Topological and Electronic Influences on Magnetic Exchange Coupling in Fe(III) Ethynylbenzene Dendritic Building Blocks","Journal of the American Chemical Society","2011","133","","20823","20836","10.1021/ja206735y","","","0.71073","MoKα","","0.0281","0.024","","","0.054","0.0554","","","","","","1.008","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107234","13.4127","0.0007","14.1127","0.0007","17.5241","0.001","66.813","0.001","67.956","0.001","81.356","0.002","2826.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H92 B2 Cl2 F48 Fe2 P8 -","- C98 H92 B2 Cl2 F48 Fe2 P8 -","- C98 H92 B2 Cl2 F48 Fe2 P8 -","1","0.5","","Wesley A. Hoffert; Anthony K. Rappé; Matthew P. Shores","Topological and Electronic Influences on Magnetic Exchange Coupling in Fe(III) Ethynylbenzene Dendritic Building Blocks","Journal of the American Chemical Society","2011","133","","20823","20836","10.1021/ja206735y","","","0.71073","MoKα","","0.0571","0.0408","","","0.1045","0.1219","","","","","","1.049","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107235","15.5873","0.0006","28.0448","0.0012","21.4267","0.001","90","","90","","90","","9366.5","0.7","120","2","120","2","","","","","","","","8","P b c m","-P 2c 2b","57","4","compound 4 in the manuscript","","- C50 H99 Cl3 F6 Fe3 O6 P12 S2 -","- C50 H99 Cl3 F6 Fe3 O6 P12 S2 -","- C200 H396 Cl12 F24 Fe12 O24 P48 S8 -","4","0.5","","Wesley A. Hoffert; Anthony K. Rappé; Matthew P. Shores","Topological and Electronic Influences on Magnetic Exchange Coupling in Fe(III) Ethynylbenzene Dendritic Building Blocks","Journal of the American Chemical Society","2011","133","","20823","20836","10.1021/ja206735y","","","0.71073","MoKα","","0.0749","0.0543","","","0.1783","0.195","","","","","","1.054","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107236","10.1264","0.0016","6.333","0.001","25.079","0.004","90","","96.011","0.007","90","","1599.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H25 Cu K N O3 -","- C11 H25 Cu K N O3 -","- C44 H100 Cu4 K4 N4 O12 -","4","1","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0545","0.045","","","0.11","0.1148","","","","","","1.125","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107237","6.202","0.002","19.855","0.008","16.646","0.007","90","","95.483","0.014","90","","2040.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 Cu N2 Na O4 -","- C14 H32 Cu N2 Na O4 -","- C56 H128 Cu4 N8 Na4 O16 -","4","1","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0961","0.0456","","","0.0785","0.0923","","","","","","1.007","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107238","17.754","0.002","17.754","0.002","62.184","0.007","90","","90","","120","","16975","3","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C72 H164 Cu6 I2 K8 N8 O20 -","- C71.94 H163.86 Cu6 I1.99 K8 N7.98 O19.98 -","- C431.64 H983.16 Cu36 I11.94 K48 N47.88 O119.88 -","6","0.166667","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0872","0.0576","","","0.1536","0.1722","","","","","","1.016","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107239","11.4005","0.0009","21.0308","0.0017","11.189","0.0009","90","","115.13","0.002","90","","2428.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Cl2 Cu2 O4 -","- C18 H36 Cl2 Cu2 O4 -","- C72 H144 Cl8 Cu8 O16 -","4","1","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0326","0.0266","","","0.0665","0.07","","","","","","1.044","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107240","11.3451","0.001","21.5829","0.0019","11.1733","0.001","90","","114.292","0.004","90","","2493.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Br2 Cu2 O4 -","- C18 H36 Br2 Cu2 O4 -","- C72 H144 Br8 Cu8 O16 -","4","1","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0686","0.0437","","","0.1005","0.1104","","","","","","1.04","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107241","11.848","0.001","8.5446","0.0007","16.2194","0.0014","90","","109.051","0.004","90","","1552.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H54 Cu2 O6 -","- C26 H54 Cu2 O6 -","- C52 H108 Cu4 O12 -","2","0.5","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0945","0.0868","","","0.2317","0.2367","","","","","","1.225","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107242","11.8758","0.0003","10.8214","0.0003","14.3329","0.0003","90","","96.883","0.001","90","","1828.69","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H54 Cu4 F6 O6 -","- C28 H54 Cu4 F6 O6 -","- C56 H108 Cu8 F12 O12 -","2","0.5","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0513","0.0362","","","0.0981","0.1078","","","","","","0.999","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107243","34.19","0.004","32.89","0.004","44.013","0.005","90","","110.32","0.003","90","","46413","9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C150.25 H144 Cl4.5 Mn12 N24 O56 -","- C150.25 H144 Cl4.5 Mn12 N24 O56 -","- C1202 H1152 Cl36 Mn96 N192 O448 -","8","2","","Tu N. Nguyen; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","A Supramolecular Aggregate of Four Exchange-Biased Single-Molecule Magnets","Journal of the American Chemical Society","2011","133","","20688","20691","10.1021/ja2087344","","","0.71073","MoKα","","0.2135","0.074","","","0.1617","0.1886","","","","","","0.624","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107244","6.0794","0.0006","9.541","0.001","13.1014","0.0013","90","","102.299","0.002","90","","742.49","0.13","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 Br O3 -","- C15 H17 Br O3 -","- C30 H34 Br2 O6 -","2","1","","Lizhu Gao; Geum-Sook Hwang; Do Hyun Ryu","Oxazaborolidinium Ion-Catalyzed Cyclopropanation of α-Substituted Acroleins: Enantioselective Synthesis of Cyclopropanes Bearing Two Chiral Quaternary Centers","Journal of the American Chemical Society","2011","133","","20708","20711","10.1021/ja209270e","","","0.71073","MoKα","","0.115","0.0588","","","0.1167","0.1984","","","","","","1.16","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107245","6.1744","0.0006","14.0656","0.0013","13.3422","0.0013","90","","96.472","0.002","90","","1151.34","0.19","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 Br O4 -","- C24 H27 Br O4 -","- C48 H54 Br2 O8 -","2","1","","Lizhu Gao; Geum-Sook Hwang; Do Hyun Ryu","Oxazaborolidinium Ion-Catalyzed Cyclopropanation of α-Substituted Acroleins: Enantioselective Synthesis of Cyclopropanes Bearing Two Chiral Quaternary Centers","Journal of the American Chemical Society","2011","133","","20708","20711","10.1021/ja209270e","","","0.71073","MoKα","","0.1934","0.0556","","","0.1059","0.1862","","","","","","0.763","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107246","15.8891","0.0005","17.7816","0.0006","18.1462","0.0005","90","","103.302","0.001","90","","4989.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 B F19 S2 -","- C25 B F19 S2 -","- C200 B8 F152 S16 -","8","2","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0763","0.039","","","0.0888","0.0985","","","","","","1.036","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107247","19.7871","0.0005","8.1334","0.0002","20.1056","0.0005","90","","95.943","0.001","90","","3218.33","0.14","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C33 H15 B F20 Si -","- C33 H15 B F20 Si -","- C132 H60 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0879","0.0429","","","0.0959","0.1074","","","","","","1.024","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107248","19.7831","0.0008","8.1266","0.0003","20.0827","0.0009","90","","95.903","0.002","90","","3211.6","0.2","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C33 H15 B F20 Si -","- C33 H15 B F20 Si -","- C132 H60 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1023","0.0456","","","0.1021","0.1167","","","","","","0.949","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107249","9.2012","0.0002","44.1297","0.001","16.8661","0.0004","90","","97.472","0.001","90","","6790.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.79 H17.21 B F20.24 Si1.24 -","- C33.7875 H17.2125 B F20.2375 Si1.2375 -","- C270.3 H137.7 B8 F161.9 Si9.9 -","8","2","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1323","0.0613","","","0.1255","0.1408","","","","","","1.047","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107250","17.0809","0.0011","18.9831","0.0012","20.863","0.0014","90","","90","","90","","6764.8","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Trimethylsilicenium Tetrakis(pentafluorophenyl)borate toluene solvate","","- C34 H17 B F20 Si -","- C34 H17 B F20 Si -","- C272 H136 B8 F160 Si8 -","8","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0932","0.0398","","","0.0778","0.0895","","","","","","0.964","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107251","17.0523","0.0004","18.985","0.0005","20.8924","0.0005","90","","90","","90","","6763.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33.69 H17.08 B F20.08 Si1.08 -","- C33.6912 H17.0772 B F20.0772 Si1.0772 -","- C269.53 H136.618 B8 F160.618 Si8.6176 -","8","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0712","0.0385","","","0.0866","0.096","","","","","","1.035","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107252","14.9264","0.0005","17.9423","0.0007","16.8793","0.0006","90","","114.239","0.002","90","","4122","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H29 B F20 Si -","- C43 H29 B F20 Si -","- C172 H116 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1089","0.0473","","","0.1101","0.1245","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107253","22.1413","0.0007","16.9067","0.0005","18.9409","0.0006","90","","92.176","0.001","90","","7085.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H21 B F20 Si -","- C36 H21 B F20 Si -","- C288 H168 B8 F160 Si8 -","8","2","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0718","0.0408","","","0.1009","0.1102","","","","","","1.051","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107254","10.4308","0.0003","21.5092","0.0007","16.7513","0.0005","90","","106.562","0.002","90","","3602.37","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H21 B F20 Si -","- C36 H21 B F20 Si -","- C144 H84 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0683","0.0457","","","0.1264","0.1364","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107255","17.2347","0.0006","12.7041","0.0004","31.2332","0.001","90","","94.011","0.001","90","","6821.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H19 B F20 Si -","- C35 H19 B F20 Si -","- C280 H152 B8 F160 Si8 -","8","2","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0859","0.0399","","","0.0897","0.0999","","","","","","1.034","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107256","14.4403","0.0007","18.165","0.0009","17.1757","0.0008","90","","114.682","0.001","90","","4093.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 B F20 Si -","- C43 H29 B F20 Si -","- C172 H116 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0879","0.0456","","","0.1078","0.1183","","","","","","1.064","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107257","16.6384","0.0011","20.3523","0.0011","24.3708","0.0015","90","","90","","90","","8252.7","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H29 B F20 Si -","- C43 H29 B F20 Si -","- C344 H232 B8 F160 Si8 -","8","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1089","0.051","","","0.1214","0.1378","","","","","","1.023","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107258","14.3401","0.0007","19.2559","0.001","16.861","0.0008","90","","113.164","0.002","90","","4280.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 B F20 Si -","- C45 H33 B F20 Si -","- C180 H132 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1057","0.0423","","","0.0887","0.1029","","","","","","0.947","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107259","14.8417","0.0011","18.3481","0.0013","17.1252","0.0011","90","","113.424","0.004","90","","4279.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 B F20 Si -","- C45 H33 B F20 Si -","- C180 H132 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1249","0.0444","","","0.0914","0.1069","","","","","","0.903","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107260","11.3883","0.0003","16.906","0.0005","22.5187","0.0006","85.883","0.001","84.99","0.001","72.901","0.001","4123.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.75 H30 B F20 Si -","- C42.75 H30 B F20 Si -","- C171 H120 B4 F80 Si4 -","4","2","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.083","0.0517","","","0.1347","0.1469","","","","","","1.068","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107261","6.331","0.0004","10.0315","0.0006","9.7425","0.0006","90","","95.923","0.004","90","","615.44","0.07","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,4-di-tert.butyl-benzene","","- C14 H22 -","- C14 H22 -","- C28 H44 -","2","0.5","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0746","0.0498","","","0.1343","0.1439","","","","","","1.047","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107262","18.378","0.003","18.37