# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-08T06:33:31+01:00
# 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",""
"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","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"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","","Mikhail Y. Redko; James E. Jackson; Rui H. Huang; James L. Dye","Design and Synthesis of a Thermally Stable Organic Electride","Journal of the American Chemical Society","2005","127","","12416","12422","","","","","","","","","","","","","","","","","","","","","","has coordinates","183806","2020-10-21","18:00:00",""
"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","","Mikhail Y. Redko; James E. Jackson; Rui H. Huang; James L. Dye","Design and Synthesis of a Thermally Stable Organic Electride","Journal of the American Chemical Society","2005","127","","12416","12422","","","","","","","","","","","","","","","","","","","","","","has coordinates","183806","2020-10-21","18:00:00",""
"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","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"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","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"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",""
"4100501","13.1266","0.0011","11.6335","0.0004","23.496","0.002","90","","96.357","0.008","90","","3566","0.4","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl Cr N4 O2 -","- C38 H42 Cl Cr N4 O2 -","- C152 H168 Cl4 Cr4 N16 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","0.0491","","","0.1136","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100502","20.824","0.003","9.707","0.002","31.106","0.004","90","","90","","90","","6287.8","1.9","183","2","183","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H29 Cl2 Cr N4 O -","- C37 H29 Cl2 Cr N4 O -","- C296 H232 Cl16 Cr8 N32 O8 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","0.0671","","","0.1491","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100503","10.996","0.002","11.8362","0.0018","19.526","0.003","80.378","0.009","82.022","0.018","69.553","0.019","2338.8","0.7","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H43 Cl2 Cr N6 O -","- C55.995 H42.995 Cl2 Cr N5.999 O -","- C111.99 H85.99 Cl4 Cr2 N11.998 O2 -","2","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100504","18","0.003","18","0.003","8.0441","0.0016","90","","90","","90","","2606.1","0.7","4","2","4","2","","","","","","","","6","P -4","P -4","81","CoL4","","","- 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","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100505","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","P -4","81","CoL4","","","- 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",""
"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 O