# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T22:36:00+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of the American Chemical Society') AND volume = 118 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
"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",""
"4117100","8.282","0.006","5.14","0.003","8.268","0.005","90","","90","","90","","352","0.4","156","0.2","156","0.2","","","","","","","","2","P b c n","-P 2n 2ab","60","1,1,2,3-Tetrafluoro-cyclopropene","1,1,2,3-Fluoro-cyclopropene","","- C3 F4 -","- C3 F4 -","- C12 F16 -","4","0.5","","Basil T. Abdo; Ian L. Alberts; Christopher J. Attfield; R. Eric Banks; Alexander J. Blake; Paul T. Brain; A. Peter Cox; Colin R. Pulham; David W. H. Rankin; Heather E. Robertson; Vincent Murtagh; Axel Heppeler; Carole Morrison","Perfluorocyclopropene: Experimental and Theoretical Studies of Its Structure in Gaseous, Solution, and Crystalline Phases","Journal of the American Chemical Society","1996","118","","209","216","10.1021/ja952620j","","","0.71073","MoKa","","0.0323","0.0283","","0.0771","0.07","","","","1.126","1.164","1.164","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117101","11.319","0.002","8.899","0.001","34.051","0.003","90","","90","","90","","3429.9","0.8","296","1","296","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(±)-2-amino-2'-hydroxy-3'-(methoxycarbonyl)-1,1'-binaphtyl","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C176 H136 N8 O24 -","8","1","","Martin Smrčina; Štěpán Vyskočil; Vladimír Hanuš; Miroslav Polášek; Vratislav Langer; Benjamin G. M. Chew; David B. Zax; Hugh Verrier; Kevin Harper; Thomas A. Claxton; Pavel Kočovský","The SN2 Reaction in the Solid State. An Unusual, BAl2 Aminolysis of an Ester Group in Crystalline (\±)-2-Amino-2'-hydroxy-3'-(methoxycarbonyl)- 1,1'-binaphthyl Elucidated by X-ray Diffraction and Isotopic Labeling. New Experimental Evidence for Linearity in SN2 Substitution","Journal of the American Chemical Society","1996","118","","487","488","10.1021/ja951920y","","","0.71069","MoKα","","0.3578","0.0424","","0.2354","0.0973","","","","0.916","1.006","1.006","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117102","15.52","0.002","21.394","0.004","22.86","0.004","90","","99.07","0.02","90","","7495","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H72 Au4 Cl2 O10 P4 S -","- C78 H72 Au4 Cl2 O10 P4 S -","- C312 H288 Au16 Cl8 O40 P16 S4 -","4","1","","José Vicente; M. Teresa Chicote; Rita Guerrero; Peter G. Jones","Synthesis of the First Complex with a Hypercoordinate Ylidic Carbon Atom. Crystal and Molecular Structure of [{Au(PPh3)}4CS(O)Me2](ClO4)2","Journal of the American Chemical Society","1996","118","","699","700","10.1021/ja953504j","","","0.71073","MoKα","","0.1034","0.0432","","0.0895","0.0766","","","","0.85","1.013","1.013","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117103","14.332","0.005","14.655","0.007","22.263","0.009","108.69","0.05","91.7","0.05","92.18","0.03","4422","3","103","","103","","","","","","","","","7","P -1","-P 1","2","","","","- C92 H92 B2 F8 Fe2 N12 O7 -","- C92 H74 B2 F8 Fe2 N12 O7 -","- C184 H148 B4 F16 Fe4 N24 O14 -","2","1","","Takaharu Ookubo; Hideki Sugimoto; Toshihiko Nagayama; Hideki Masuda; Takahisa Sato; Koji Tanaka; Yonezo Maeda; Hisashi Ōkawa; Yoshihito Hayashi; Akira Uehara; Masatatsu Suzuki","cis-μ-1,2-Peroxo Diiron Complex: Structure and Reversible Oxygenation","Journal of the American Chemical Society","1996","118","","701","702","10.1021/ja953705n","","","0.7107","MoKα","","","0.076","","","0.109","","","","","2.2","2.2","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117104","10.053","0.005","14.12","0.003","31.005","0.003","90","","90","","90","","4401","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H35 Cl N7 Ni O5 -","- C16 H35 Cl N7 Ni O5 -","- C128 H280 Cl8 N56 Ni8 O40 -","8","1","","Myunghyun Paik Suh; Kye Young Oh; Jae Woo Lee; Yeon Young Bae","Acetamide Coordination in a Nickel(I) Macrocyclic Complex: Synthesis, Properties, and X-ray Crystal Structure of a Five-Coordinate Nickel(I) Iminol Complex of 1,3,6,8,12,15-Hexaazatricyclo[13.3.1.18,12]icosane","Journal of the American Chemical Society","1996","118","","777","783","10.1021/ja953106g","","","0.71073","MoKα","","0.05","0.0447","","0.0983","0.0953","","","","1.104","1.111","1.111","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117105","9.815","0.01","11.45","0.009","20.686","0.024","95.41","0.08","99.84","0.09","111.22","0.07","2104","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H63 Cd I O9 Zr2 -","- C27 H63 Cd I O9 Zr2 -","- C54 H126 Cd2 I2 O18 Zr4 -","2","1","","Michael Veith; Sanjay Mathur; Volker Huch","Designed Synthesis and Molecular Structure of the First Heterotermetallic Alkoxide","Journal of the American Chemical Society","1996","118","","903","904","10.1021/ja953255z","","","0.71073","MoKα","","0.0542","0.047","","0.1396","0.13","","","","1.054","1.059","1.059","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117106","23.198","0.02","12.937","0.011","19.331","0.02","90","","97.3","0.08","90","","5754","9","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H168 Ba2 Cd2 O24 Zr4 -","- C72 Ba2 Cd2 O24 Zr4 -","- C144 Ba4 Cd4 O48 Zr8 -","2","0.5","","Michael Veith; Sanjay Mathur; Volker Huch","Designed Synthesis and Molecular Structure of the First Heterotermetallic Alkoxide","Journal of the American Chemical Society","1996","118","","903","904","10.1021/ja953255z","","","0.71073","MoKα","","0.0961","0.0772","","0.2433","0.2211","","","","1.07","1.1","1.1","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117107","17.108","0.005","15.575","0.004","17.236","0.004","90","","102.95","0.03","90","","4476","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H74 Li4 N2 O4 Si2 -","- C38 H74 Li4 N2 O4 Si2 -","- C152 H296 Li16 N8 O16 Si8 -","4","1","","Klas Sorger; Paul von Ragué Schleyer; Dietmar Stalke","Dimeric [3,3-Dimethyl-2-(trimethylsilyl)cyclopropenyl]- lithium-Tetramethylethylenediamine: Distortion of the Cyclopropenyl Geometry Due to Strong Rehybridization at the Lithiated Carbon","Journal of the American Chemical Society","1996","118","","1086","1091","10.1021/ja9521280","","","0.71073","mokα","","0.059","0.0476","","0.1339","0.1207","","","","1.037","1.063","1.063","","","","","has coordinates,has disorder","134499","2020-10-21","18:00:00",""
"4117108","16.272","0.007","21.323","0.004","13.051","0.004","90","","90","","90","","4528","3","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H40 Li2 O3 -","- C22 H40 Li2 O3 -","- C176 H320 Li16 O24 -","8","2","","Klas Sorger; Paul von Ragué Schleyer; Dietmar Stalke","Dimeric [3,3-Dimethyl-2-(trimethylsilyl)cyclopropenyl]- lithium-Tetramethylethylenediamine: Distortion of the Cyclopropenyl Geometry Due to Strong Rehybridization at the Lithiated Carbon","Journal of the American Chemical Society","1996","118","","1086","1091","10.1021/ja9521280","","","0.71073","MoKα","","0.0771","0.0682","","0.1909","0.1781","","","","1.054","1.055","1.055","","","","","has coordinates,has disorder","178942","2020-10-21","18:00:00",""
"4117109","8.756","0.002","11.058","0.002","12.495","0.003","104.92","0.03","109.44","0.03","100.15","0.03","1055.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H40 Li2 N2 O -","- C20 H40 Li2 N2 O -","- C40 H80 Li4 N4 O2 -","2","1","","Klas Sorger; Paul von Ragué Schleyer; Dietmar Stalke","Dimeric [3,3-Dimethyl-2-(trimethylsilyl)cyclopropenyl]- lithium-Tetramethylethylenediamine: Distortion of the Cyclopropenyl Geometry Due to Strong Rehybridization at the Lithiated Carbon","Journal of the American Chemical Society","1996","118","","1086","1091","10.1021/ja9521280","","","0.71073","MoKa","","0.062","0.0517","","0.1749","0.163","","","","1.085","1.117","1.117","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117110","12.321","0.006","10.28","0.005","12.601","0.007","90","","112.79","0.05","90","","1471.4","1.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 O Ti -","- C17 H22 O Ti -","- C68 H88 O4 Ti4 -","4","1","","William E. Crowe; An T. Vu","Direct Synthesis of Fused, Bicyclic γ-Butyrolactones via Tandem Reductive Cyclization-Carbonylation of Tethered Enals and Enones","Journal of the American Chemical Society","1996","118","","1557","1558","10.1021/ja9535874","","","0.71073","MoKα","","0.0823","0.0657","","0.265","0.1678","","","","1.156","1.165","1.165","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117111","7.72","0.002","8.996","0.002","11.45","0.002","100.294","0.012","101.75","0.02","97.36","0.02","754.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O2 Ti -","- C18 H22 O2 Ti -","- C36 H44 O4 Ti2 -","2","1","","William E. Crowe; An T. Vu","Direct Synthesis of Fused, Bicyclic γ-Butyrolactones via Tandem Reductive Cyclization-Carbonylation of Tethered Enals and Enones","Journal of the American Chemical Society","1996","118","","1557","1558","10.1021/ja9535874","","","0.71073","MoKα","","0.0359","0.0342","","0.0913","0.0896","","","","1.061","1.067","1.067","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117112","36.356","0.013","19.737","0.004","28.161","0.011","90","","129.07","0.02","90","","15688","10","243","2","243","2","","","","","","","","5","C 1 2 1","C 2y","5","L-Ala DPDPE","Tyr-cyclo[D-Pen-Ala-Phe-D-Pen]","","- C124 H202 N20 O48.5 S8 -","- C124 H164 N20 O49.025 S8 -","- C496 H656 N80 O196.1 S32 -","4","1","","Nathan Collins; Judith L. Flippen-Anderson; Ronald C. Haaseth; Jeffery R. Deschamps; Clifford George; Katalin Kövér; Victor J. Hruby","Conformational Determinants of Agonist versus Antagonist Properties of [d-Pen2,d-Pen5]Enkephalin (DPDPE) Analogs at Opioid Receptors. Comparison of X-ray Crystallographic Structure, Solution 1H NMR Data, and Molecular Dynamic Simulations of [l-Ala3]DPDPE and [d-Ala3]DPDPE","Journal of the American Chemical Society","1996","118","","2143","2152","10.1021/ja9531081","","","1.54178","CuKα","","0.1451","0.0983","","0.2865","0.2315","","","","1.098","1.157","1.157","","","","","has coordinates,has Fobs","178942","2020-10-21","18:00:00",""
"4117113","12.271","0.002","9.6","0.002","18.75","0.004","90","","103.56","0.02","90","","2147.2","0.8","243","2","243","2","","","","","","","","5","P 1 21 1","P 2yb","4","D-Ala DPDPE","Tyr-cyclo[D-Pen-D-Ala-Phe-D-Pen]","","- C31 H61 N5 O17 S2 -","- C31 H40 N5 O16.897 S2 -","- C62 H80 N10 O33.794 S4 -","2","1","","Nathan Collins; Judith L. Flippen-Anderson; Ronald C. Haaseth; Jeffery R. Deschamps; Clifford George; Katalin Kövér; Victor J. Hruby","Conformational Determinants of Agonist versus Antagonist Properties of [d-Pen2,d-Pen5]Enkephalin (DPDPE) Analogs at Opioid Receptors. Comparison of X-ray Crystallographic Structure, Solution 1H NMR Data, and Molecular Dynamic Simulations of [l-Ala3]DPDPE and [d-Ala3]DPDPE","Journal of the American Chemical Society","1996","118","","2143","2152","10.1021/ja9531081","","","1.54178","CuKα","","0.1241","0.09","","0.2442","0.1978","","","","1.109","1.088","1.088","","","","","has coordinates,has Fobs","178942","2020-10-21","18:00:00",""
"4117114","18.631","0.002","19.482","0.002","18.518","0.002","90","","90","","90","","6721.5","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Z-[L-(alphaMe)Val]8-OtBu","","","- C60 H104 N8 O11 -","- C60 H104 N8 O11 -","- C240 H416 N32 O44 -","4","1","","Claudio Toniolo; Alessandra Polese; Fernando Formaggio; Marco Crisma; Johan Kamphuis","Circular Dichroism Spectrum of a Peptide 310-Helix","Journal of the American Chemical Society","1996","118","","2744","2745","10.1021/ja9537383","","","0.7107","MoKα","","0.2693","0.0568","","0.1872","0.1399","","","","0.715","1.148","1.148","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117115","10.941","0.009","13.861","0.01","13.141","0.008","90","","99.89","0.05","90","","1963","2","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H47 N O6 -","- C47 H35 N O6 -","- C94 H70 N2 O12 -","2","1","","Yasushi Yokoyama; Soichi Uchida; Yayoi Yokoyama; Yoko Sugawara; Yukio Kurita","Diastereoselective Photochromism of an (R)-Binaphthol-Condensed Indolylfulgide","Journal of the American Chemical Society","1996","118","","3100","3107","10.1021/ja9523045","","","0.71069","MoKalpha","","0.0677","0.0494","","0.1634","0.1459","","","","1.018","1.04","1.04","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117116","19.573","0.003","12.454","0.004","15.066","0.003","90","","103.94","0.01","90","","3564.4","1.5","296.2","","296.2","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H48 Cl3 N8 O18 P Zn2 -","- C19 H44 Cl3 N8 O18 P Zn2 -","- C76 H176 Cl12 N32 O72 P4 Zn8 -","4","1","","Tohru Koike; Masaki Inoue; Eiichi Kimura; Motoo Shiro","Novel Properties of Cooperative Dinuclear Zinc(II) Ions: The Selective Recognition of Phosphomonoesters and Their P-O Ester Bond Cleavage by a New Dinuclear Zinc(II) Cryptate","Journal of the American Chemical Society","1996","118","","3091","3099","10.1021/ja953413m","","","1.5418","CuKα","","","0.036","","","0.051","","","","","1.4","1.4","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4117117","15.037","0.005","13.862","0.005","15.78","0.004","90","","90.29","0.02","90","","3289.2","1.8","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H43 Cl3 N8 O13 Zn2 -","- C31 Cl3 N8 O17 Zn2 -","- C124 Cl12 N32 O68 Zn8 -","4","1","","Tohru Koike; Masaki Inoue; Eiichi Kimura; Motoo Shiro","Novel Properties of Cooperative Dinuclear Zinc(II) Ions: The Selective Recognition of Phosphomonoesters and Their P-O Ester Bond Cleavage by a New Dinuclear Zinc(II) Cryptate","Journal of the American Chemical Society","1996","118","","3091","3099","10.1021/ja953413m","","","1.5418","CuKα","","","0.109","","","0.111","","","","","5.27","5.27","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4117118","9.64","0.002","9.104","0.002","12.935","0.004","90","","103.27","","90","","1104.9","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 Br N O6 -","- C20 H30 Br N O6 -","- C40 H60 Br2 N2 O12 -","2","1","","Stephen F. Martin; Kenneth J. Barr","Vinylogous Mannich Reactions. The Asymmetric Total Synthesis of (+)-Croomine","Journal of the American Chemical Society","1996","118","","3299","3300","10.1021/ja9542146","","","0.71073","MoKα","","0.1197","0.0486","","0.0918","0.0733","","","","1.01","1.137","1.137","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117119","9.343","0.001","10.124","0.001","22.733","0.002","90","","90","","90","","2150.3","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Br N O6 -","- C20 H30 Br N O6 -","- C80 H120 Br4 N4 O24 -","4","1","","Stephen F. Martin; Kenneth J. Barr","Vinylogous Mannich Reactions. The Asymmetric Total Synthesis of (+)-Croomine","Journal of the American Chemical Society","1996","118","","3299","3300","10.1021/ja9542146","","","0.71073","MoKα","","0.1039","0.048","","0.0872","0.0725","","","","1.031","1.092","1.092","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117120","9.198","0.001","12.56","0.001","14.297","0.001","90","","90","","90","","1651.7","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Stephen F. Martin; Kenneth J. Barr","Vinylogous Mannich Reactions. The Asymmetric Total Synthesis of (+)-Croomine","Journal of the American Chemical Society","1996","118","","3299","3300","10.1021/ja9542146","","","0.71073","MoKα","","0.0964","0.0485","","0.1092","0.0888","","","","1.018","1.08","1.08","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117121","6.204","0.001","10.988","0.001","24.18","0.004","90","","90","","90","","1648.3","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Stephen F. Martin; Kenneth J. Barr","Vinylogous Mannich Reactions. The Asymmetric Total Synthesis of (+)-Croomine","Journal of the American Chemical Society","1996","118","","3299","3300","10.1021/ja9542146","","","0.71073","MoKα","","0.0942","0.0562","","0.1538","0.1256","","","","0.986","1.001","1.001","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117122","7.572","0.001","34.424","0.006","6.321","0.001","90","0","90","0","90","0","1647.6","0.4","293","","","","","","","","","","(+-)-1-phenylethylammonium a-methylcinnamate 1a-7b","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0548","","","0.0531","","","","","8.0509","8.0509","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117123","9.884","0.002","29.104","0.004","5.75","0.001","89.962","0.014","106.449","0.014","89.994","0.011","1586.4","0.5","293","","","","","","","","","","(+-)-1-phenylethylammonium p-chlorocinnamate 1a-7c","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H18 Cl N O2 -","- C17 H18 Cl N O2 -","- C68 H72 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0419","","","0.0429","","","","","7.6533","7.6533","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117124","14.645","0.004","15.402","0.005","6.142","0.002","90","0","90","0","90","0","1385.4","0.7","293","","","","","","","","","","(+-)-1-phenylethylammonium benzoate 1a-9a","4","P b n 21","P 2c -2ab","33","","","","- C15 H17 N O2 -","- C16 H16 N O2 -","- C64 H64 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.046","","","0.038","","","","","7.4424","7.4424","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117125","12.796","0.001","17.17","0.002","6.772","0.001","90","0","103.24","0.01","90","0","1448.3","0.3","293","","","","","","","","","","(+-)-1-phenylethylammonium o-chlorobenzoate 1a-9b","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0395","","","0.0403","","","","","9.4702","9.4702","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117126","19.838","0.006","6.356","0.002","7.032","0.002","90","0","90.137","0.025","90","0","886.7","0.5","293","","","","","","","","","","(+-)-1-phenylethylammonium p-t-butylbenzoate 1a-9d","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C38 H50 N2 O4 -","2","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.1095","","","0.1221","","","","","27.203","27.203","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117127","32.088","0.005","6.219","0.001","7.225","0.001","90","0","92.609","0.014","90","0","1440.3","0.4","293","","","","","","","","","","(+-)-1-phenylethylammonium m-chlorobenzoate 1a-9f","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0539","","","0.0554","","","","","12.915","12.915","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117128","24.116","0.004","6.056","0.001","9.856","0.001","90","0","100.261","0.012","90","0","1416.4","0.4","293","","","","","","","","","","(+-)-1-phenylethylammonium p-chlorobenzoate 1a-9g","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0597","","","0.0631","","","","","10.618","10.618","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117129","21.224","0.003","5.917","0.001","15.326","0.002","90","0","102.76","0.01","90","0","1877.1","0.5","293","","","","","","","","","","(+-)-1-phenylethylammonium 1,1-diphenylacetate 1a-10e","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0853","","","0.0792","","","","","15.764","15.764","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117130","14.901","0.002","18.377","0.002","5.97","0.001","90","0","90","0","90","0","1634.8","0.4","293","","","","","","","","","","(+-)-1-(2-methylphenyl)ethylammonium cinnamate 1b-7a","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0444","","","0.0452","","","","","10.536","10.536","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117131","10.541","0.001","26.326","0.003","5.831","0.001","90","0","90","0","90","0","1618.1","0.4","293","","","","","","","","","","(+-)-p-tolylethylammonium cinnamate 1c-7a","4","P b n 21","P 2c -2ab","33","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0347","","","0.0349","","","","","6.4965","6.4965","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117132","11.123","0.001","17.726","0.002","9.252","0.001","98.827","0.008","90.134","0.008","81.084","0.009","1780.4","0.3","293","","","","","","","","","","(+-)1-(1-naphthyl)ethylammonium cinnamate 3-7a","4","P -1","-P 1","2","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","2","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0716","","","0.078","","","","","20.24","20.24","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117133","13.659","0.002","20.024","0.003","6.357","0.001","90","0","90","0","90","0","1738.7","0.5","293","","","","","","","","","","(R)-1-(1-naphthyl)ethylammonium phenylacetate 3-10b","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0374","","","0.034","","","","","6.1179","6.1179","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117134","22.352","0.005","6.672","0.002","13.488","0.004","90","0","105.563","0.019","90","0","1937.8","0.9","293","","","","","","","","","","(+-)-a-o-tolylbenzylammonium cinnamate 6-7a","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0725","","","0.0729","","","","","11.298","11.298","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117135","9.376","0.001","28.353","0.004","6.076","0.001","90","0","90","0","90","0","1615.2","0.4","293","","","","","","","","","","(R)-1-phenylethylammonium p-chlorocinnamate (R)-1a-7c","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl N O2 -","- C17 H18 Cl N O2 -","- C68 H72 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0546","","","0.0671","","","","","12.289","12.289","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117136","13.326","0.004","6.172","0.002","11.885","0.003","90","0","114.9","0.02","90","0","886.7","0.5","293","","","","","","","","","","(R)-1-phenylethylammonium (Z)-3-phenyl-2-pentenoate (R)-1a-8a","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O2 -","- C19 H21.4 N O2 -","- C38 H42.8 N2 O4 -","2","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0641","","","0.0575","","","","","9.7643","9.7643","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117137","7.182","0.001","32.302","0.005","6.256","0.002","90","0","90","0","90","0","1451.3","0.6","293","","","","","","","","","","(R)-1-phenylethylammonium m-chlorobenzoate (R)-1a-9f","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0574","","","0.0652","","","","","12.902","12.902","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117138","10.089","0.001","23.117","0.002","5.973","0.001","90","","90","","90","","1393.1","0.3","293","","","","","","","","","","(R)-1-phenylethylammonium p-chlorobenzoate (R)-1a-9g","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0492","","","0.0573","","","","","13.16","13.16","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117139","13.7394","0.0014","20.421","0.002","14.8567","0.0015","90","","99.119","0.008","90","","4115.7","0.7","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H47 Cl F6 Mo O2 P3 -","- C41 H47 Cl F6 Mo O2 P3 -","- C164 H188 Cl4 F24 Mo4 O8 P12 -","4","1","","James C. Fettinger; D. Webster Keogh; Rinaldo Poli","Stable Mononuclear, 17-Electron Molybdenum(III) Carbonyl Complexes. Synthesis, Structure, Thermal Decomposition, and Cl-Addition Reactions","Journal of the American Chemical Society","1996","118","","3617","3625","10.1021/ja9540738","","","0.71073","MoKα","","0.0648","0.0459","","0.1211","0.1077","","","","1.057","1.066","1.066","","","","","has coordinates,has disorder","178942","2020-10-21","18:00:00",""
"4117140","13.16","0.002","10.942","0.002","25.01","0.003","90","","95.225","0.01","90","","3586.4","1","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Cl F7 Mo N2 P3 -","- C35 H35 Cl F7 Mo N2 P3 -","- C140 H140 Cl4 F28 Mo4 N8 P12 -","4","1","","James C. Fettinger; D. Webster Keogh; Rinaldo Poli","Stable Mononuclear, 17-Electron Molybdenum(III) Carbonyl Complexes. Synthesis, Structure, Thermal Decomposition, and Cl-Addition Reactions","Journal of the American Chemical Society","1996","118","","3617","3625","10.1021/ja9540738","","","0.71073","MoKα","","0.043","0.0411","","0.1198","0.1181","","","","1.098","1.115","1.115","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117141","15","0.01","13.53","0.01","19.95","0.01","90","","111.53","0.02","90","","3766","4","156","","156","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H17 Co -","- C76 H17 Co -","- C304 H68 Co4 -","4","1","","María-José Arce; Argimiro L. Viado; Yi-Zhong An; Saeed I. Khan; Yves Rubin","Triple Scission of a Six-Membered Ring on the Surface of C60 via Consecutive Pericyclic Reactions and Oxidative Cobalt Insertion","Journal of the American Chemical Society","1996","118","","3775","3776","10.1021/ja9601200","","","0.7107","MoKα","","","0.076","","","0.081","","","","","2.04","2.04","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117142","20.618","0.002","20.6184","","27.923","0.002","90","","90","","120","","10280","1.2","293","","293","","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C24 H108 Cl12 Cu4 N12 O8 P4 Pd6 -","- C144 Cl72 Cu24 N72 O48 P24 Pd36 -","- C144 Cl72 Cu24 N72 O48 P24 Pd36 -","","","","Takahiro Hosokawa; Minoru Takano; Shun-Ichi Murahashi","The First Isolation and Characterization of a Palladium-Copper Heterometallic Complex Bearing μ4-Oxo Atom Derived from Molecular Oxygen","Journal of the American Chemical Society","1996","118","","3990","3991","10.1021/ja953514k","","","0.7107","MoKalpha","","","0.051","","","0.037","","","","","2.35","2.35","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117143","17.675","0.003","9.932","0.006","18.457","0.006","90","","107.34","0.02","90","","3093","2","293","","293","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H72 Cl12 Cu2 N12 O4 P4 Pd4 -","- C48 H144 Cl24 Cu4 N24 O8 P8 Pd8 -","- C48 H144 Cl24 Cu4 N24 O8 P8 Pd8 -","","","","Takahiro Hosokawa; Minoru Takano; Shun-Ichi Murahashi","The First Isolation and Characterization of a Palladium-Copper Heterometallic Complex Bearing μ4-Oxo Atom Derived from Molecular Oxygen","Journal of the American Chemical Society","1996","118","","3990","3991","10.1021/ja953514k","","","0.7107","MoKalpha","","","0.08","","","0.097","","","","","4.2","4.2","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117144","5.8088","0.0003","17.976","0.002","18.213","0.002","90","0.009","90","0.006","90","0.007","1901.8","0.3","293","","293","","","","","","","","See Experimental","3","P 21 21 21","P 2ac 2ab","19","","1β-tert-butoxy-6-(E)-ethylidene-3aα,4α,5,6,7,8,9,9a-octahydro-9aβ-methyl -7-oxo-4β-cyclopentacyclooctenecarboxylic acid methyl ester","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Chao-Jun Li; Dong-Li Chen; Yue-Qi Lu; John X. Haberman; Joel T. Mague","Novel Carbocyle Enlargement in Aqueous Medium","Journal of the American Chemical Society","1996","118","","4216","4217","10.1021/ja960489p","","","0.71073","Mo-Kα,graphitemonochromated","","0.076","0.043","","","0.06","","","","","2.006","2.006","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117145","8.255","0.001","12.338","0.003","16.482","0.002","76.592","0.013","87.44","0.03","71.871","0.012","1551.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 N3 O7 P3 -","- C28 H28 Cl2 N3 O7 P3 -","- C56 H56 Cl4 N6 O14 P6 -","2","1","","Krystyna Brandt; Iwona Porwolik; Anna Olejnik; Robert A. Shaw; David B. Davies; Michael B. Hursthouse; Georgia D. Sykara","Regioselective Sodium Cation-Assisted Synthesis of the First Bis-Transannular Cyclotriphosphazatriene Derivatives of a Chiral Ligand Type","Journal of the American Chemical Society","1996","118","","4496","4497","10.1021/ja960201w","","","0.71069","MoKα","","0.0752","0.0477","","0.1136","0.1091","","","","0.841","1.048","1.048","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117146","11.11","0.004","11.74","0.002","11.823","0.002","84.64","0.02","79.9","0.02","77.981","0.011","1482.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 N3 O7 P3 -","- C28 H28 Cl2 N3 O7 P3 -","- C56 H56 Cl4 N6 O14 P6 -","2","1","","Krystyna Brandt; Iwona Porwolik; Anna Olejnik; Robert A. Shaw; David B. Davies; Michael B. Hursthouse; Georgia D. Sykara","Regioselective Sodium Cation-Assisted Synthesis of the First Bis-Transannular Cyclotriphosphazatriene Derivatives of a Chiral Ligand Type","Journal of the American Chemical Society","1996","118","","4496","4497","10.1021/ja960201w","","","0.71069","MoKα","","0.068","0.0591","","0.1567","0.1545","","","","1.056","1.174","1.174","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117147","12.571","0.004","10.579","0.004","15.212","0.004","90","","107.84","0.03","90","","1925.7","1.1","143","2","143","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C36 H32 Au2 Cl6 Fe P2 S -","- C36 H32 Au2 Cl6 Fe P2 S -","- C72 H64 Au4 Cl12 Fe2 P4 S2 -","2","0.5","","Fernando Canales; M. Concepción Gimeno; Antonio Laguna; Peter G. Jones","Aurophilicity at Sulfur Centers. Synthesis and Reactivity of the Complex [S(Au2dppf)]; Formation of Polynuclear Sulfur-Centered Complexes. Crystal Structures of [S(Au2dppf)].2CHCl3, [(μ-Au2dppf){S(Au2dppf)}2](OTf)2. 8CHCl3, and [S(AuPPh2Me)2(Au2dppf)](ClO4)2.3CH2Cl2","Journal of the American Chemical Society","1996","118","","4839","4845","10.1021/ja9517678","","","0.71073","MoKα","","0.0465","0.0404","","0.1147","0.1005","","","","1.072","1.063","1.063","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117148","15.177","0.003","18.408","0.004","27.894","0.008","88.83","0.02","84.46","0.02","67.78","0.02","7179","3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C112 H92 Au6 Cl24 F6 Fe3 O6 P6 S4 -","- C112 H92 Au6 Cl24 F6 Fe3 O6 P6 S4 -","- C224 H184 Au12 Cl48 F12 Fe6 O12 P12 S8 -","2","1","","Fernando Canales; M. Concepción Gimeno; Antonio Laguna; Peter G. Jones","Aurophilicity at Sulfur Centers. Synthesis and Reactivity of the Complex [S(Au2dppf)]; Formation of Polynuclear Sulfur-Centered Complexes. Crystal Structures of [S(Au2dppf)].2CHCl3, [(μ-Au2dppf){S(Au2dppf)}2](OTf)2. 8CHCl3, and [S(AuPPh2Me)2(Au2dppf)](ClO4)2.3CH2Cl2","Journal of the American Chemical Society","1996","118","","4839","4845","10.1021/ja9517678","","","0.71073","MoKα","","0.1907","0.0786","","0.2178","0.1783","","","","0.865","1.13","1.13","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117149","13.727","0.002","15.952","0.003","17.763","0.002","71.738","0.012","73.264","0.014","75.96","0.02","3487.3","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H60 Au4 Cl8 Fe O8 P4 S -","- C63 H54 Au4 Cl8.02 Fe O8 P4 S -","- C126 H108 Au8 Cl16.04 Fe2 O16 P8 S2 -","2","1","","Fernando Canales; M. Concepción Gimeno; Antonio Laguna; Peter G. Jones","Aurophilicity at Sulfur Centers. Synthesis and Reactivity of the Complex [S(Au2dppf)]; Formation of Polynuclear Sulfur-Centered Complexes. Crystal Structures of [S(Au2dppf)].2CHCl3, [(μ-Au2dppf){S(Au2dppf)}2](OTf)2. 8CHCl3, and [S(AuPPh2Me)2(Au2dppf)](ClO4)2.3CH2Cl2","Journal of the American Chemical Society","1996","118","","4839","4845","10.1021/ja9517678","","","0.71073","MoKα","","0.1371","0.0768","","0.1945","0.157","","","","1.086","1.117","1.117","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117150","8.175","0.0009","8.3775","0.0007","16.256","0.002","90","","92.058","0.005","90","","1112.6","0.2","293","2","293","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","Technetium(ii) hexakis(acetonitrile) bis tetrafluoroborate","","- C12 H18 B2 F8 N6 Tc -","- C12 H18 B2 F8 N6 Tc -","- C24 H36 B4 F16 N12 Tc2 -","2","0.5","","F. Albert Cotton; Steven C. Haefner; Alfred P. Sattelberger","Metal-Metal Multiply-Bonded Complexes of Technetium. 4.1Photodissociation of the Tc\τbTc Triple Bond in [Tc2(CH3CN)10][BF4]4","Journal of the American Chemical Society","1996","118","","5486","5487","10.1021/ja9604727","","","0.71073","MoKα","","0.0584","0.0498","","0.1422","0.1345","","","","1.139","1.187","1.187","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117151","15.055","0.003","15.795","0.003","17.069","0.003","90","","115","0.03","90","","3678.6","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H32 Cl2 N4 Ni -","- C46 H30 Cl2 N4 Ni -","- C184 H120 Cl8 N16 Ni4 -","4","1","","Piotr J. Chmielewski; Lechosław Latos-Grażyński; Tadeusz Głowiak","Reactions of Nickel(II) 2-Aza-5,10,15,20-tetraphenyl-21- carbaporphyrin with Methyl Iodide. The First Structural Characterization of a Paramagnetic Organometallic Nickel(II) Complex","Journal of the American Chemical Society","1996","118","","5690","5701","10.1021/ja9527028","","","1.5418","CuKα","","0.0692","0.0691","","0.185","0.1849","","","","1.047","1.048","1.048","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117152","12.946","0.003","23.519","0.005","13.945","0.003","90","","93.2","0.03","90","","4239.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H39 I N4 Ni -","- C52 H35 I N4 Ni -","- C208 H140 I4 N16 Ni4 -","4","1","","Piotr J. Chmielewski; Lechosław Latos-Grażyński; Tadeusz Głowiak","Reactions of Nickel(II) 2-Aza-5,10,15,20-tetraphenyl-21- carbaporphyrin with Methyl Iodide. The First Structural Characterization of a Paramagnetic Organometallic Nickel(II) Complex","Journal of the American Chemical Society","1996","118","","5690","5701","10.1021/ja9527028","","","1.5418","CuKα","","0.0562","0.0562","","0.144","0.144","","","","1.08","1.08","1.08","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117153","16.349","0.004","10.226","0.002","13.352","0.004","90","","92.07","0.02","90","","2230.8","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H35 Al Cl N3 Si3 -","- C13 H35 Al Cl N3 Si3 -","- C52 H140 Al4 Cl4 N12 Si12 -","4","1","","Norbert Emig; Régis Réau; Harald Krautscheid; Dieter Fenske; Guy Bertrand","Synthesis and Structure of the First Chiral Tetracoordinated Aluminum Cation","Journal of the American Chemical Society","1996","118","","5822","5823","10.1021/ja953700q","","","0.71069","MoKa","","0.036","0.0292","","0.083","0.0788","","","","1.033","1.071","1.071","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117154","9.992","0.004","11.97","0.004","13.16","0.005","82.62","0.03","68.94","0.03","89.17","0.03","1455.8","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H36 Al2 Cl5 N3 Si3 -","- C13 H36 Al2 Cl5 N3 Si3 -","- C26 H72 Al4 Cl10 N6 Si6 -","2","1","","Norbert Emig; Régis Réau; Harald Krautscheid; Dieter Fenske; Guy Bertrand","Synthesis and Structure of the First Chiral Tetracoordinated Aluminum Cation","Journal of the American Chemical Society","1996","118","","5822","5823","10.1021/ja953700q","","","0.71069","MoKa","","0.0559","0.0374","","0.1026","0.0916","","","","1.034","1.06","1.06","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117155","9.113","0.003","9.226","0.002","16.011","0.003","91.81","0.02","91.31","0.02","106.72","0.03","1287.9","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H40 Li2 N4 -","- C24 H40 Li2 N4 -","- C48 H80 Li4 N8 -","2","1","","Hans J. Reich; Birgir Ö. Gudmundsson","Solution Structure of 2-[(Dimethylamino)methyl]phenyllithium1","Journal of the American Chemical Society","1996","118","","6074","6075","10.1021/ja960677f","","","1.54178","CuKα","","0.1388","0.0794","","0.2412","0.1913","","","","1.027","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117156","8.0115","0.0004","12.8872","0.0006","15.3184","0.0007","90","","90","","90","","1581.56","0.13","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N3 O3 -","- C16 H24 N3 O3 -","- C64 H96 N12 O12 -","4","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge Localization in a Dihydrazine Analogue of Tetramethyl-p-phenylenediamine Radical Cation","Journal of the American Chemical Society","1996","118","","6313","6314","10.1021/ja960500l","","","0.71073","MoKα","","0.0361","0.0336","","0.0862","0.0828","","","","1.073","1.052","1.052","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117157","6.5","0.0005","7.2299","0.0005","13.3764","0.001","94.301","0.002","99.039","0.002","105.083","0.002","594.98","0.08","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H42 N4 -","- C26 H42 N4 -","- C26 H42 N4 -","1","0.5","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge Localization in a Dihydrazine Analogue of Tetramethyl-p-phenylenediamine Radical Cation","Journal of the American Chemical Society","1996","118","","6313","6314","10.1021/ja960500l","","","0.71073","MoKα","","0.0524","0.045","","0.1226","0.1109","","","","1.058","1.033","1.033","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117158","14.8524","0.0002","13.9105","0.0003","40.8752","0.0002","90","","90","","90","","8445","0.2","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C50 H62 B N4 -","- C50 H62 B N4 -","- C400 H496 B8 N32 -","8","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge Localization in a Dihydrazine Analogue of Tetramethyl-p-phenylenediamine Radical Cation","Journal of the American Chemical Society","1996","118","","6313","6314","10.1021/ja960500l","","","0.71073","MoKα","","0.1097","0.0642","","0.1398","0.1133","","","","1.168","1.176","1.176","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117159","10.987","0.003","11.25","0.002","12.389","0.002","90","","90","","90","","1531.3","0.6","193","2","293","2","","","","","","","Ronald C. Newbold","5","P 21 21 21","P 2ac 2ab","19","OsO4-diamine complex","Osmium tetraoxide - (R,R)-trans-1,2-bispyrollidinecyclohexane complex","","- C14 H26 N2 O4 Os -","- C14 H26 N2 O4 Os -","- C56 H104 N8 O16 Os4 -","4","1","","E. J. Corey; Sepehr Sarshar; Mihai D. Azimioara; Ronald C. Newbold; Mark C. Noe","X-ray Crystal and NMR Structure of a Highly Reactive Bidentate 1,2-Diamine-OsO4 Complex, Formally a 20-Electron Outer Valence Shell Species. Mechanistic Implications for the 1,2-Diamine-Accelerated Dihydroxylation of Olefins by OsO4","Journal of the American Chemical Society","1996","118","","7851","7852","10.1021/ja960536d","","","0.71073","MoKα","","0.0534","0.0441","","0.1114","0.1041","","","","1.003","1.012","1.012","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117160","9.905","0.001","20.819","0.003","8.337","0.004","90","","90","","90","","1719.2","0.9","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 O2 S -","- C84 H64 O8 S4 -","- C84 H64 O8 S4 -","","","","Masami Sakamoto; Masaki Takahashi; Shin Moriizumi; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe","Solid State Photochemistry: Absolute Asymmetric Photocyclization of an Achiral S-Arylo-Benzoylbenzothioate to an Optically Active Phthalide Involving a Novel Phenyl Migration","Journal of the American Chemical Society","1996","118","","8138","8139","10.1021/ja960823h","","","1.5418","CuKalpha","","","0.054","","","0.054","","","","","2.46","2.46","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117161","9.126","0.001","11.685","0.001","8.529","0.002","99.64","0.02","105.42","0.02","76.613","0.01","847.5","0.2","23","","23","","","","","","","","","4","P 1","P 1","1","","","","- C21 H16 O2 S -","- C42 H32 O4 S2 -","- C42 H32 O4 S2 -","","","","Masami Sakamoto; Masaki Takahashi; Shin Moriizumi; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe","Solid State Photochemistry: Absolute Asymmetric Photocyclization of an Achiral S-Arylo-Benzoylbenzothioate to an Optically Active Phthalide Involving a Novel Phenyl Migration","Journal of the American Chemical Society","1996","118","","8138","8139","10.1021/ja960823h","","","1.5418","CuKalpha","","","0.087","","","0.101","","","","","8.58","8.58","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117162","7.381","0.007","21.298","0.012","8.414","0.01","90","","108.92","0.08","90","","1251","2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-4-[4-amino-(N-6-formyl-N-6-beta-ribofuranosyl)pyrimidin-5-yl]-5-methyl-2'- deoxycytidine","","- C20 H31 N7 O11 -","- C20 H31 N7 O11 -","- C40 H62 N14 O22 -","2","1","","Carole Saintomé; Pascale Clivio; Alain Favre; Jean-Louis Fourrey; Claude Riche","RNA Photolabeling Mechanistic Studies: X-ray Crystal Structure of the Photoproduct Formed between 4-Thiothymidine and Adenosine upon Near UV Irradiation","Journal of the American Chemical Society","1996","118","","8142","8143","10.1021/ja961329g","","","1.5418","CuKα","","","0.067","","","0.086","","","","","1.04","1.04","","","","","has coordinates","190331","2020-10-21","18:00:00",""
"4117163","8.4967","0.0006","20.73","0.002","15.2484","0.001","90","","90.277","0.006","90","","2685.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cp*2Cr2(B4H8)Fe(CO)3","","- C23 H38 B4 Cr2 Fe O3 -","- C23 H38 B4 Cr2 Fe O3 -","- C92 H152 B16 Cr8 Fe4 O12 -","4","1","","Hisako Hashimoto; Maoyu Shang; Thomas P. Fehlner","Clusters as Ligands. Coordination of an Electronically Unsaturated Chromaborane to an Iron Tricarbonyl Fragment","Journal of the American Chemical Society","1996","118","","8164","8165","10.1021/ja9616387","","","0.71073","MoKα","","0.0755","0.0508","","0.1254","0.1073","","","","1.086","1.088","1.088","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117164","14.755","0.009","24.965","0.01","19.58","0.01","90","","111.56","0.04","90","","6708","6","23","","23","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H54 Cl2 Mo2 N4 O4 P4 -","- C280 H208 Cl32 Mo8 N16 O16 P16 -","- C280 H208 Cl32 Mo8 N16 O16 P16 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.0615","","","0.0821","","","","","2.378","2.378","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117165","24.262","0.004","12.3","0.003","31.521","0.006","90","","112.86","0.01","90","","8668","3","23","","23","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C74 H64 Cl16 Mo2 N4 O4 P4 Pd2 -","- C304 H240 Cl80 Mo8 N16 O16 P16 Pd8 -","- C304 H240 Cl80 Mo8 N16 O16 P16 Pd8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.084","","","0.064","","","","","2.97","2.97","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117166","32.54","0.005","12.461","0.004","19.759","0.003","90","","104.25","0.01","90","","7765","3","23","","23","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C71 H58 Br4 Cl6 Mo2 N4 O4 P4 Pd2 -","- C304 H208 Br16 Cl64 Mo8 N16 O16 P16 Pd8 -","- C304 H208 Br16 Cl64 Mo8 N16 O16 P16 Pd8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.0678","","","0.0582","","","","","2.852","2.852","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117167","24.273","0.002","12.278","0.003","31.545","0.006","90","","112.87","0.01","90","","8662","3","23","","23","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Cl12 Mo2 N4 O4 P4 Pt2 -","- C288 H240 Cl48 Mo8 N16 O16 P16 Pt8 -","- C288 H240 Cl48 Mo8 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.054","","","0.09","","","","","2.73","2.73","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117168","17.455","0.003","17.4548","","25.971","0.006","90","","90","","90","","7913","2","23","","23","","","","","","","","","9","I 41","I 4bw","80","","","","- C72 H60 Br2 Cl8 Mo2 N4 O4 P4 Pd2 -","- C288 H240 Br8 Cl32 Mo8 N16 O16 P16 Pd8 -","- C288 H240 Br8 Cl32 Mo8 N16 O16 P16 Pd8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.029","","","0.027","","","","","2.09","2.09","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117169","16.074","0.007","16.807","0.007","28.194","0.004","90","","94.97","0.02","90","","7588","5","23","","23","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C69 H54 Cl2 I2 Mo2 N4 O4 P4 Pd2 -","- C276 H216 Cl8 I8 Mo8 N16 O16 P16 Pd8 -","- C276 H216 Cl8 I8 Mo8 N16 O16 P16 Pd8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.068","","","0.084","","","","","5.3","5.3","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117170","17.407","0.002","17.4071","","25.798","0.003","90","","90","","90","","7816.9","1.3","23","","23","","","","","","","","","8","I 41","I 4bw","80","","","","- C72 H60 Cl10 Mo2 N4 O4 P4 Pt2 -","- C288 H208 Cl40 Mo8 N16 O16 P16 Pt8 -","- C288 H208 Cl40 Mo8 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.028","","","0.031","","","","","1.1","1.1","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117171","16.077","0.003","16.592","0.003","27.861","0.002","90","","96.106","0.01","90","","7390","2","23","","23","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C69 H54 Br2 Cl2 Mo2 N4 O4 P4 Pt2 -","- C276 H216 Br8 Cl8 Mo8 N16 O16 P16 Pt8 -","- C276 H216 Br8 Cl8 Mo8 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.053","","","0.069","","","","","1.82","1.82","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117172","16.137","0.003","16.815","0.003","28.274","0.001","90","","94.887","0.008","90","","7644","2","23","","23","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C69 H54 Cl2 I2 Mo2 N4 O4 P4 Pt2 -","- C280 H224 Cl16 I8 Mo8 N16 O16 P16 Pt8 -","- C280 H224 Cl16 I8 Mo8 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.06","","","0.078","","","","","2.18","2.18","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117173","17.0389","0.0003","9.9887","0.0001","51.1596","0.0007","90","","91.352","0.001","90","","8704.8","0.2","198","2","198","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 O9 Ru3 S2 -","- C70 O9 Ru3 S2 -","- C560 O72 Ru24 S16 -","8","1","","Hsiu-Fu Hsu; John R. Shapley","Ru3(CO)9(μ3-η2,η2,η2-C60): A Cluster Face-Capping, Arene-Like Complex of C60","Journal of the American Chemical Society","1996","118","","9192","9193","10.1021/ja962077m","","","0.71073","MoKα","","0.107","0.0763","","0.1617","0.145","","","","1.194","1.25","1.25","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117174","19.092","0.003","19.716","0.003","21.55","0.003","90","","90","","90","","8112","2","293","2","293","2","","","","","","","Methanol/Dichlormethane","7","P b c a","-P 2ac 2ab","61","","Bis[Hydrotris(3-cumyl-5-methyl-pyrazol-1-yl)- borato-zink-hydroxid]-hydro-perchlorat","","- C39 H47 B Cl N6 O5 Zn -","- C39 H47 B Cl0.5 N6 O3 Zn -","- C312 H376 B8 Cl4 N48 O24 Zn8 -","8","1","","Michael Ruf; Karl Weis; Heinrich Vahrenkamp","Zn-O2H3-Zn: a Coordination Mode of the Hydrolytic Zinc-Aqua Function and a Possible Structural Motif for Oligozinc Enzymes","Journal of the American Chemical Society","1996","118","","9288","9294","10.1021/ja960629v","","","0.71073","MoKα","","0.1314","0.0557","","0.2134","0.1442","","","","1.056","1.011","1.011","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117175","15.068","0.001","15.601","0.001","17.734","0.001","99.57","0.007","105.19","0.008","113.43","0.007","3515.1","0.5","293","2","293","2","","","","","","","Methanol","7","P -1","-P 1","2","","Bis[Hydrotris(3-(3'-pyridyl)-5-methyl-pyrazole-1-yl)borato-zinc-hydroxide] hydroperchlorate","","- C57 H66 B2 Cl N18 O9.5 Zn2 -","- C57 H66 B2 Cl N18 O9.5 Zn2 -","- C114 H132 B4 Cl2 N36 O19 Zn4 -","2","1","","Michael Ruf; Karl Weis; Heinrich Vahrenkamp","Zn-O2H3-Zn: a Coordination Mode of the Hydrolytic Zinc-Aqua Function and a Possible Structural Motif for Oligozinc Enzymes","Journal of the American Chemical Society","1996","118","","9288","9294","10.1021/ja960629v","","","0.71073","MoKα","","0.2066","0.0678","","0.2651","0.1699","","","","1.065","1.037","1.037","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117176","16.431","0.0015","21.604","0.002","20.159","0.002","90","","97.55","0.008","90","","7093.9","1.2","293","2","293","2","","","","","","","Benzene-Ethanol-Dichlormethane","7","P 1 21/n 1","-P 2yn","14","Bis[Hydrotris(3-(4'-methyl-3'-pyridyl)-5-methyl-pyrazol-1-yl)borato -zinc-hydroxide]hydroperchlorate","","","- C62 H75 B2 Cl N18 O9 Zn2 -","- C62 H75 B2 Cl N18 O9 Zn2 -","- C248 H300 B8 Cl4 N72 O36 Zn8 -","4","1","","Michael Ruf; Karl Weis; Heinrich Vahrenkamp","Zn-O2H3-Zn: a Coordination Mode of the Hydrolytic Zinc-Aqua Function and a Possible Structural Motif for Oligozinc Enzymes","Journal of the American Chemical Society","1996","118","","9288","9294","10.1021/ja960629v","","","0.71073","MoKα","","0.2103","0.0804","","0.3166","0.2077","","","","1.068","1.083","1.083","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117177","8.211","0.002","8.211","0.002","58.657","0.013","90","","90","","90","","3954.7","1.6","198","2","198","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C176 H232 N8 O32 -","8","1","","Robert M. Coates; Zhanqi Ho; Michael Klobus; Scott R. Wilson","Stereochemistry and Reactions of Presilphiperfolanol: A Branch Point Marker in Triquinane Sesquiterpene Biogenesis","Journal of the American Chemical Society","1996","118","","9249","9254","10.1021/ja961582g","","","0.71073","MoKα","","0.2111","0.1243","","0.4414","0.3297","","","","1.101","1.198","1.198","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117178","7.093","0.001","9.897","0.001","13.79","0.001","86.99","0.01","85.97","0.01","79.57","0.01","948.92","0.18","295.2","","295.2","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 Co2 O7 -","- C17 Co2 O7 -","- C34 Co4 O14 -","2","1","","Judit Sóvágó; M. Gary Newton; Evgenia A. Mushina; Ferenc Ungváry","Intermediate Complexes in the Octacarbonyl Dicobalt-Initiated Living Polymerization of 3-Methyl-1,2-butadiene","Journal of the American Chemical Society","1996","118","","9589","9596","10.1021/ja9542404","","","1.5418","CuKalpha","","","0.0698","","","0.0812","","","","","6.078","6.078","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117179","17.732","0.001","7.0943","0.0007","20.284","0.003","90","","109.246","0.008","90","","2409","0.5","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 Co2 O7 -","- C22 H24 Co2 O7 -","- C88 H96 Co8 O28 -","4","1","","Judit Sóvágó; M. Gary Newton; Evgenia A. Mushina; Ferenc Ungváry","Intermediate Complexes in the Octacarbonyl Dicobalt-Initiated Living Polymerization of 3-Methyl-1,2-butadiene","Journal of the American Chemical Society","1996","118","","9589","9596","10.1021/ja9542404","","","1.5418","CuKalpha","","","0.0447","","","0.0448","","","","","2.827","2.827","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117180","12.566","0.004","14.312","0.002","19.365","0.005","90","","102.64","0.01","90","","3398.3","1.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium ion complexed cucurbituril","","","- C36 H82 N24 Na4 O43 S2 -","- C36 H68 N24 Na4 O43 S2 -","- C72 H136 N48 Na8 O86 S4 -","2","0.5","","You-Moon Jeon; Jaheon Kim; Dongmok Whang; Kimoon Kim","Molecular Container Assembly Capable of Controlling Binding and Release of Its Guest Molecules: Reversible Encapsulation of Organic Molecules in Sodium Ion Complexed Cucurbituril","Journal of the American Chemical Society","1996","118","","9790","9791","10.1021/ja962071x","","","0.71073","MoKα","","0.0762","0.0649","","0.1872","0.178","","","","1.095","1.161","1.161","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117181","12.592","0.005","14.268","0.001","19.428","0.008","90","","102.6","0.02","90","","3406","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium ion complexed cucurbituril","","","- C40 H84 N24 Na4 O41 S2 -","- C40 H68 N24 Na4 O41 S2 -","- C80 H136 N48 Na8 O82 S4 -","2","0.5","","You-Moon Jeon; Jaheon Kim; Dongmok Whang; Kimoon Kim","Molecular Container Assembly Capable of Controlling Binding and Release of Its Guest Molecules: Reversible Encapsulation of Organic Molecules in Sodium Ion Complexed Cucurbituril","Journal of the American Chemical Society","1996","118","","9790","9791","10.1021/ja962071x","","","0.71073","MoKα","","0.0852","0.0664","","0.1616","0.1515","","","","1.132","1.227","1.227","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117182","10.988","0.003","21.98","0.005","22.108","0.005","110.05","0.01","101.77","0.02","92.94","0.01","4868","2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H69 N O5.5 P -","- C52 H68 N O5.5 P -","- C208 H272 N4 O22 P4 -","4","2","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; Kumara K. C. Swamy","Bi- and Tricyclic Penta- and Hexacoordinated Phosphoranes with Varying Ring Sizes: Synthesis, Structures, and Reactivity","Journal of the American Chemical Society","1996","118","","9841","9849","10.1021/ja960554v","","","0.71073","MoKa","","0.1236","0.0732","","0.2256","0.1768","","","","1.02","1.048","1.048","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117183","10.582","0.001","27.9","0.003","9.255","0.001","90","","106.57","0.01","90","","2619","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 Cl2 N O5 P -","- C29 H26 Cl2 N O5 P -","- C116 H104 Cl8 N4 O20 P4 -","4","1","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; Kumara K. C. Swamy","Bi- and Tricyclic Penta- and Hexacoordinated Phosphoranes with Varying Ring Sizes: Synthesis, Structures, and Reactivity","Journal of the American Chemical Society","1996","118","","9841","9849","10.1021/ja960554v","","","0.71073","MoKα","","0.0599","0.042","","0.1011","0.0917","","","","1.019","1.058","1.058","","","","","has coordinates,has disorder","178942","2020-10-21","18:00:00",""
"4117184","17.463","0.005","12.558","0.002","30.426","0.007","90","","90","","90","","6672","3","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H36 Cl2 N O5 P -","- C36 H36 Cl2 N O5 P -","- C288 H288 Cl16 N8 O40 P8 -","8","2","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; Kumara K. C. Swamy","Bi- and Tricyclic Penta- and Hexacoordinated Phosphoranes with Varying Ring Sizes: Synthesis, Structures, and Reactivity","Journal of the American Chemical Society","1996","118","","9841","9849","10.1021/ja960554v","","","0.71073","MoKa","","0.0619","0.0461","","0.1141","0.0978","","","","1.069","1.045","1.045","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117185","36.021","0.002","36.021","0.002","10.646","0.002","90","","90","","120","","11963","2","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33.67 H23.67 N O5.17 P -","- C33.68 H23.7 N O5.17 P -","- C606.24 H426.6 N18 O93.06 P18 -","18","1","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; Kumara K. C. Swamy","Bi- and Tricyclic Penta- and Hexacoordinated Phosphoranes with Varying Ring Sizes: Synthesis, Structures, and Reactivity","Journal of the American Chemical Society","1996","118","","9841","9849","10.1021/ja960554v","","","0.71073","MoKα","","0.0655","0.041","","0.0989","0.0889","","","","1.03","1.099","1.099","","","","","has coordinates,has disorder","178942","2020-10-21","18:00:00",""
"4117186","9.1536","0.0006","11.4395","0.0008","17.4905","0.0012","94.316","0.001","91.129","0.001","102.764","0.001","1779.9","0.2","123","","123","2","","","","","","","Crystal grown by electrocrystallization","5","P -1","-P 1","2","Bis(ethylenedithio)tetrathiafulvalenium 1-pentafluorothio-2,2-difluoroethane-2-sulfonate (2:1)","","","- C22 H18 F7 O3 S18 -","- C22 H18 F7 O3 S18 -","- C44 H36 F14 O6 S36 -","2","1","","Urs Geiser; John A. Schlueter; H. Hau Wang; Aravinda M. Kini; Jack M. Williams; Paul P. Sche; Halina I. Zakowicz; Michael L. VanZile; James D. Dudek; Paul G. Nixon; Rolf W. Winter; Gary L. Gard; J. Ren; M.-H. Whangbo","Superconductivity at 5.2 K in an Electron Donor Radical Salt of Bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) with the Novel Polyfluorinated Organic Anion SF~5~CH~2~CF~2~SO~3~^-^","Journal of the American Chemical Society","1996","118","","9996","9997","10.1021/ja962188l","","","0.71073","MoKα","","","0.046","","","0.045","","","","","1.635","1.635","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117187","9.523","0.001","7.05","0.001","13.747","0.002","90","","96.73","0.01","90","","916.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H14 N2 O3 -","- C7 H14 N2 O3 -","- C28 H56 N8 O12 -","4","1","","Christer B. Aakeröy; Deirdre P. Hughes; Mark Nieuwenhuyzen","The Oxamate Anion: A Flexible Building Block of Hydrogen-Bonded Architectures for Crystal Engineering","Journal of the American Chemical Society","1996","118","","10134","10140","10.1021/ja953296v","","","0.71073","MoKα","","0.0434","0.0347","","0.0925","0.0863","","","","1.05","1.07","1.07","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117188","10.206","0.006","7.598","0.005","19.784","0.018","90","","94.86","0.05","90","","1528.6","1.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N7 O7 -","- C12 H13 N7 O7 -","- C48 H52 N28 O28 -","4","1","","Christer B. Aakeröy; Deirdre P. Hughes; Mark Nieuwenhuyzen","The Oxamate Anion: A Flexible Building Block of Hydrogen-Bonded Architectures for Crystal Engineering","Journal of the American Chemical Society","1996","118","","10134","10140","10.1021/ja953296v","","","0.71073","MoKα","","0.0646","0.042","","0.1117","0.0994","","","","1.057","1.101","1.101","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117189","6.162","0.003","12.801","0.002","8.777","0.001","90","","96.61","","90","","687.7","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N3 O3 -","- C5 H7 N3 O3 -","- C20 H28 N12 O12 -","4","1","","Christer B. Aakeröy; Deirdre P. Hughes; Mark Nieuwenhuyzen","The Oxamate Anion: A Flexible Building Block of Hydrogen-Bonded Architectures for Crystal Engineering","Journal of the American Chemical Society","1996","118","","10134","10140","10.1021/ja953296v","","","0.71073","MoKα","","0.1483","0.077","","0.2162","0.1717","","","","1.035","1.109","1.109","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117190","15.674","0.001","12.129","0.001","11.429","0.002","90","","92.82","0.01","90","","2170.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cl N2 O3 -","- C9 H11 Cl N2 O3 -","- C72 H88 Cl8 N16 O24 -","8","2","","Christer B. Aakeröy; Deirdre P. Hughes; Mark Nieuwenhuyzen","The Oxamate Anion: A Flexible Building Block of Hydrogen-Bonded Architectures for Crystal Engineering","Journal of the American Chemical Society","1996","118","","10134","10140","10.1021/ja953296v","","","0.71073","MoKα","","0.0903","0.0471","","0.1171","0.0972","","","","1.054","1.119","1.119","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117191","7.0764","0.0011","8.0669","0.0013","24.681","0.004","90","","90","","90","","1408.9","0.4","198","2","198","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-deoxy-7-hydroxymethyl-7-deazaadenosine","","","- C12 H20 N4 O6 -","- C12 H20 N4 O6 -","- C48 H80 N16 O24 -","4","1","","Jason K. Rockhill; Scott R. Wilson; Richard I. Gumport","2'-Deoxy-7-(hydroxymethyl)-7-deazaadenosine: A New Analogue to Model Structural Water in the Major Groove of DNA","Journal of the American Chemical Society","1996","118","","10065","10068","10.1021/ja961540s","","","0.71073","MoKα","","0.104","0.0739","","0.2016","0.175","","","","1.168","1.18","1.18","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117192","10.607","0.002","8.143","0.004","38.89","0.006","90","","96.14","0.01","90","","3339.8","1.8","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Au2 O4 P2 -","- C34 H38 Au2 O4 P2 -","- C136 H152 Au8 O16 P8 -","4","1","","Martin A. Bennett; Suresh K. Bhargava; David C. R. Hockless; Lee L. Welling; Anthony C. Willis","Dinuclear Cycloaurated Complexes Containing Bridging (2-Diphenylphosphino)phenylphosphine and (2-Diethylphosphino)phenylphosphine, C6H4PR2 (R = Ph, Et). Carbon-Carbon Bond Formation by Reductive Elimination at a Gold(II)-Gold(II) Center","Journal of the American Chemical Society","1996","118","","10469","10478","10.1021/ja961511h","","","1.5418","CopperKα","","0.072","0.043","","0.068","0.059","","","","1.256","1.343","1.343","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117193","15.984","0.003","9.064","0.004","18.047","0.003","90","","90","","90","","2614.6","1.3","296.2","","296.2","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H28 Au2 I2 P2 -","- C20 H28 Au2 I2 P2 -","- C80 H112 Au8 I8 P8 -","4","1","","Martin A. Bennett; Suresh K. Bhargava; David C. R. Hockless; Lee L. Welling; Anthony C. Willis","Dinuclear Cycloaurated Complexes Containing Bridging (2-Diphenylphosphino)phenylphosphine and (2-Diethylphosphino)phenylphosphine, C6H4PR2 (R = Ph, Et). Carbon-Carbon Bond Formation by Reductive Elimination at a Gold(II)-Gold(II) Center","Journal of the American Chemical Society","1996","118","","10469","10478","10.1021/ja961511h","","","0.7107","MoKalpha","","","0.0337","","","0.0207","","","","","1.749","1.749","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117194","15.131","0.003","16.406","0.003","15.683","0.004","90","","90","","90","","3893.1","1.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Au I2 P -","- C18 H14 Au I2 P -","- C144 H112 Au8 I16 P8 -","8","1","","Martin A. Bennett; Suresh K. Bhargava; David C. R. Hockless; Lee L. Welling; Anthony C. Willis","Dinuclear Cycloaurated Complexes Containing Bridging (2-Diphenylphosphino)phenylphosphine and (2-Diethylphosphino)phenylphosphine, C6H4PR2 (R = Ph, Et). Carbon-Carbon Bond Formation by Reductive Elimination at a Gold(II)-Gold(II) Center","Journal of the American Chemical Society","1996","118","","10469","10478","10.1021/ja961511h","","","0.71069","MolybdenumKα","","0.111","0.034","","0.052","0.046","","","","1.168","1.438","1.438","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117195","18.984","0.003","18.984","","36.256","0.005","90","","90","","120","","11316","2","294.2","","294.2","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C60 H96 In N11 O24 P6 -","- C60 H90 In0.167 N9.666 O24 P6 -","- C360 H540 In1.002 N57.996 O144 P36 -","6","0.166667","","Lowe, Mark P.; Rettig, Steven J.; Orvig, Chris","Highly Symmetric Group 13 Metal-Phosphinato Complexes: Multinuclear NMR (27Al,31P,71Ga) Determination of Stability Constants at Low pH","Journal of the American Chemical Society","1996","118","43","10446","10456","10.1021/ja961633+","","","1.5418","CuKα","","","0.0404","","","0.0386","","","","","1.69","1.69","","","","","has coordinates","270163","2021-10-29","12:05:45",""
"4117196","8.76","0.002","10.262","0.003","10.238","0.003","90","","100.15","0.02","90","","905.9","0.4","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N S -","- C21 H23 N S -","- C42 H46 N2 S2 -","2","1","","Masami Sakamoto; Masaki Takahashi; Kenji Kamiya; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe","Crystal-to-Crystal Solid-State Photochemistry: Absolute Asymmetric β-Thiolactam Synthesis from an Achiral α,β-Unsaturated Thioamide","Journal of the American Chemical Society","1996","118","","10664","10665","10.1021/ja961878m","","","1.5418","CuKα","","","0.0627","","","0.0571","","","","","4.123","4.123","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117197","10.366","0.001","10.3659","","17.133","0.003","90","","90","","90","","1841","0.4","296.2","","296.2","","","","","","","","","4","P 43","P 4cw","78","","","","- C21 H23 N S -","- C21 H23 N S -","- C84 H92 N4 S4 -","4","1","","Masami Sakamoto; Masaki Takahashi; Kenji Kamiya; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe","Crystal-to-Crystal Solid-State Photochemistry: Absolute Asymmetric β-Thiolactam Synthesis from an Achiral α,β-Unsaturated Thioamide","Journal of the American Chemical Society","1996","118","","10664","10665","10.1021/ja961878m","","","1.5418","CuKα","","","0.0516","","","0.0706","","","","","2.754","2.754","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117198","9.188","0.001","12.244","0.004","12.707","0.002","63.23","0.02","72.61","0.01","69.03","0.02","1175.4","0.5","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 O6 W -","- C27 H21 O6 W -","- C54 H42 O12 W2 -","2","1","","Rudolf Aumann; Adam G. Meyer; Roland Fröhlich","Steroid-Like Ring Skeletons by Cyclohexadiene Annulation to Enamines with Alkynylcarbene Complexes of Chromium and Tungsten via Pyran-2-ylidene Complexes","Journal of the American Chemical Society","1996","118","","10853","10861","10.1021/ja961020x","","","0.71073","MoKα","","0.0783","0.0553","","0.1472","0.1394","","","","1.027","1.085","1.085","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117199","8.987","0.001","9.876","0.001","13.434","0.001","81.39","0.01","75.84","0.01","71.32","0.01","1091.9","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 N O -","- C28 H31 N O -","- C56 H62 N2 O2 -","2","1","","Rudolf Aumann; Adam G. Meyer; Roland Fröhlich","Steroid-Like Ring Skeletons by Cyclohexadiene Annulation to Enamines with Alkynylcarbene Complexes of Chromium and Tungsten via Pyran-2-ylidene Complexes","Journal of the American Chemical Society","1996","118","","10853","10861","10.1021/ja961020x","","","1.54178","CuKα","","0.053","0.0462","","0.1354","0.1272","","","","1.028","1.042","1.042","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117200","28.605","0.002","28.605","0.002","9.969","0.001","90","","90","","90","","8157.1","1.1","130","2","130","2","","","","","","","synthetic","5","I 41/a :2","-I 4ad","88","H~2~F~20~DPP","5,10,15,20-tetrakis-(pentafluorophenyl)-2,3,7,8,12,13,17,18-octaphenyl- porphyrin","","- C96 H50 Cl8 F20 N4 -","- C96 H50 Cl8 F20 N4 -","- C384 H200 Cl32 F80 N16 -","4","0.25","","Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith","Conformational Flexibility in Dodecasubstituted Porphyrins","Journal of the American Chemical Society","1996","118","","10918","10919","10.1021/ja962164e","","","1.54178","CuKα","","0.0461","0.0396","","0.1169","0.1088","","","","0.727","0.741","0.741","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117201","16.629","0.001","8.721","0.001","25.7","0.003","90","","105.59","0.01","90","","3589.9","0.6","130","2","130","2","","","","","","","synthetic","4","P 1 21/c 1","-P 2ybc","14","H~2~F~28~DPP","5,10,15,20-tetrakis-(pentafluorophenyl)-2,3,7,8,12,13,17,18-octakis-(4- fluorophenyl)-porphyrin","","- C92 H34 F28 N4 -","- C92 H34 F28 N4 -","- C184 H68 F56 N8 -","2","0.5","","Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith","Conformational Flexibility in Dodecasubstituted Porphyrins","Journal of the American Chemical Society","1996","118","","10918","10919","10.1021/ja962164e","","","1.54178","CuKα","","0.0985","0.0554","","0.1087","0.0925","","","","1.063","1.145","1.145","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117202","24.394","0.002","24.394","0.002","8.659","0.0011","90","","90","","90","","5152.7","0.9","130","2","130","2","","","","","","","synthetic","5","P 42/n m c :2","-P 4ac 2a","137","Ni(II)F~28~DPP","5,10,15,20-tetrakis-(pentafluorophenyl)-2,3,7,8,12,13,17,18-octakis-(4- fluorophenyl)-porphinato nickel(II)","","- C122 H102 F28 N4 Ni -","- C127.28 H32 F28 N4 Ni -","- C254.56 H64 F56 N8 Ni2 -","2","0.125","","Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith","Conformational Flexibility in Dodecasubstituted Porphyrins","Journal of the American Chemical Society","1996","118","","10918","10919","10.1021/ja962164e","","","1.54178","CuKα","","0.0688","0.0538","","0.1562","0.1435","","","","0.914","0.95","0.95","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117203","40.95","0.005","40.95","0.005","40.95","0.005","90","","90","","90","","68669","15","130","2","130","2","","","","","","","synthetic","5","F -4 3 c","F -4a 2 3","219","Ni(II) DPP","Ni(II) 2,3,5,7,8,10,12,13,15,17,18,20-dodecaphenylporphyrin","","- C127.9 H130.9 Cl2.6 N4 Ni -","- C129.813 H60 Cl2.52 N4 Ni -","- C3115.52 H1440 Cl60.48 N96 Ni24 -","24","0.25","","Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith","Conformational Flexibility in Dodecasubstituted Porphyrins","Journal of the American Chemical Society","1996","118","","10918","10919","10.1021/ja962164e","","","1.54178","CuKα","","0.1102","0.0891","","0.2883","0.225","","","","1.026","1.041","1.041","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117204","19.369","0.007","13.645","0.005","18.056","0.003","90","","98.83","0.02","90","","4715","3","137.2","","137.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 P2 Pt Sn2 -","- C48 H60 P2 Pt0.5 Sn2 -","- C192 H240 P8 Pt2 Sn8 -","4","0.5","","Yasushi Obora; Yasushi Tsuji; Kayo Nishiyama; Masahiro Ebihara; Takashi Kawamura","Structure and Fluxional Behavior of cis-Bis(stannyl)bis(phosphine)platinum: Oxidative Addition of Organodistannane to Platinum(0) Complex","Journal of the American Chemical Society","1996","118","","10922","10923","10.1021/ja9626392","","","0.7107","MoKα","","","0.029","","","0.027","","","","","1.73","1.73","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117205","5.388","0.001","16.063","0.003","47.049","0.009","90","","90.01","0.03","90","","4072","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-9-(10-Bromoanthracenyl)-ethanediol","","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C192 H156 Br12 O24 -","12","6","","E. J. Corey; Mark C. Noe","A Critical Analysis of the Mechanistic Basis of Enantioselectivity in the Bis-Cinchona Alkaloid Catalyzed Dihydroxylation of Olefins","Journal of the American Chemical Society","1996","118","","11038","11053","10.1021/ja961233m","","","0.71073","MoKα","","0.2887","0.1058","","0.3475","0.2131","","","","1.036","1.253","1.253","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117206","14.597","0.002","20.56","0.007","22.004","0.003","90","","90","","90","","6604","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dihydroxylation product of 14-Bromo 7","","","- C20 H15 Br O2 -","- C20 H15 Br O2 -","- C320 H240 Br16 O32 -","16","4","","E. J. Corey; Mark C. Noe","A Critical Analysis of the Mechanistic Basis of Enantioselectivity in the Bis-Cinchona Alkaloid Catalyzed Dihydroxylation of Olefins","Journal of the American Chemical Society","1996","118","","11038","11053","10.1021/ja961233m","","","0.71073","MoKα","","0.1544","0.0968","","0.2688","0.2248","","","","1.027","1.093","1.093","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117207","8.3839","0.0011","12.1229","0.0014","18.411","0.002","90","","91.233","0.009","90","","1870.8","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-Bromobenzoate of Asymmetric Dihydroxylation Product from Dihydro-fluroanthene","","","- C23 H17 Br O3 -","- C23 H17 Br O3 -","- C92 H68 Br4 O12 -","4","2","","E. J. Corey; Mark C. Noe","A Critical Analysis of the Mechanistic Basis of Enantioselectivity in the Bis-Cinchona Alkaloid Catalyzed Dihydroxylation of Olefins","Journal of the American Chemical Society","1996","118","","11038","11053","10.1021/ja961233m","","","0.71073","MoKα","","0.1125","0.0555","","0.1319","0.1078","","","","1.007","1.066","1.066","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117208","29.999","0.016","13.163","0.009","30.994","0.025","90","","108.83","0.04","90","","11584","14","150","0.2","150","0.2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C153.12 H214.32 Cl4 N4 Na6 Ni16 O97.04 -","- C153.12 H212.32 Cl4 N4 Na6 Ni16 O97.6 -","- C306.24 H424.64 Cl8 N8 Na12 Ni32 O195.2 -","2","0.5","","Brechin, Euan K.; Gould, Robert O.; Harris, Steven G.; Parsons, Simon; Winpenny, Richard E. P.","Four Cubes and An Octahedron: A Nickel-Sodium Supracage Assembly","Journal of the American Chemical Society","1996","118","45","11293","11294","10.1021/ja962356+","","","1.54184","CuKα","","0.1617","0.0917","","0.3282","0.2267","","","","1.039","1.093","1.093","","","","","has coordinates,has disorder","270164","2021-10-29","12:11:40",""
"4117209","9.384","0.002","12.768","0.003","28.086","0.005","90","","90","","90","","3365.1","1.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H47 Br O6 -","- C35 H47 Br O6 -","- C140 H188 Br4 O24 -","4","1","","Ruggero Curci; Antonia Detomaso; Maria E. Lattanzio; Gene B. Carpenter","Oxidation of Natural Targets by Dioxiranes. 4.1High Stereo- and Regioselective Conversion of Vitamin D2 to Its (all-R) Tetraepoxide and C-25 Hydroxy Derivative","Journal of the American Chemical Society","1996","118","","11089","11092","10.1021/ja9626300","","","0.71073","MoKa","","0.1727","0.0625","","0.1858","0.1486","","","","0.809","1.149","1.149","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117210","13.69","0.006","13.69","0.006","24.464","0.009","90","","90","","90","","4585","3","296","2","296","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C43 H32 F12 N8 O4 P2 Ru2 -","- C44 H32 F36 N8 O4 P2 Ru2 -","- C176 H128 F144 N32 O16 P8 Ru8 -","4","0.5","","Dorothy H. Gibson; Yan Ding; Bradley A. Sleadd; Jaime O. Franco; John F. Richardson; Mark S. Mashuta","Photoassistance in Reactions of the cis- (Bis(2,2'-bipyridyl))(carbonyl)(formyl)ruthenium(II) Cation with Protic Reagents","Journal of the American Chemical Society","1996","118","","11984","11985","10.1021/ja962168j","","","0.7107","MoKα","","","0.062","","","0.062","","","","","2.7","2.7","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117211","14.908","0.004","25.367","0.006","5.457","0.003","90","","90","","90","","2063.7","1.4","293.2","","293.2","","","","","","","","Synthesis in H. Koshima's laboratory","4","P 21 21 21","P 2ac 2ab","19","Chiral two-molecule crystal of acridine and diphenylacetic acid","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C108 H84 N4 O8 -","4","1","","Hideko Koshima; Kuiling Ding; Yosuke Chisaka; Teruo Matsuura","Generation of Chirality in a Two-Component Molecular Crystal of Acridine and Diphenylacetic Acid and Its Absolute Asymmetric Photodecarboxylating Condensation","Journal of the American Chemical Society","1996","118","","12059","12065","10.1021/ja961106q","","","1.5418","CuKα","","","0.043","","","0.058","","","","","1.84","1.84","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117212","9.871","0.001","17.6408","0.0009","6.1787","0.0009","90.28","0.007","107.31","0.01","101.002","0.006","1006.1","0.2","293.2","","293.2","","","","","","","","Synthesis in H. Koshima's laboratoru","4","P 1","P 1","1","Photocondensation product of acridine and diphenylacetic acid","","","- C53 H46 N2 O -","- C53 H46 N2 O -","- C53 H46 N2 O -","1","1","","Hideko Koshima; Kuiling Ding; Yosuke Chisaka; Teruo Matsuura","Generation of Chirality in a Two-Component Molecular Crystal of Acridine and Diphenylacetic Acid and Its Absolute Asymmetric Photodecarboxylating Condensation","Journal of the American Chemical Society","1996","118","","12059","12065","10.1021/ja961106q","","","0.7107","MoKα","","","0.033","","","0.05","","","","","1.4","1.4","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117213","13.363","0.005","10.277","0.004","18.792","0.004","90","","107.42","0.02","90","","2462.4","1.5","293.2","","293.2","","","","","","","","Synthesis in H. Koshima's laboratory","6","P 1 21 1","P 2yb","4","Salt of methylated photocondensation product with trifluoromethanesulfonate","","","- C28 H24 F3 N O3 S -","- C28 H24 F3 N O3 S -","- C112 H96 F12 N4 O12 S4 -","4","2","","Hideko Koshima; Kuiling Ding; Yosuke Chisaka; Teruo Matsuura","Generation of Chirality in a Two-Component Molecular Crystal of Acridine and Diphenylacetic Acid and Its Absolute Asymmetric Photodecarboxylating Condensation","Journal of the American Chemical Society","1996","118","","12059","12065","10.1021/ja961106q","","","1.5418","CuKα","","","0.065","","","0.102","","","","","2.67","2.67","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117214","12.717","0.006","13.061","0.009","13.542","0.005","90","0.05","105.57","0.03","89.99","0.05","2167","2","293.2","","293.2","","","","","","","","Synthesis in H. Koshima's laboratory","4","P 1 21/n 1","-P 2yn","14","Two-molecule crystal of acridine and 2,2-diphenylpropionic acid","","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C112 H92 N4 O8 -","4","1","","Hideko Koshima; Kuiling Ding; Yosuke Chisaka; Teruo Matsuura","Generation of Chirality in a Two-Component Molecular Crystal of Acridine and Diphenylacetic Acid and Its Absolute Asymmetric Photodecarboxylating Condensation","Journal of the American Chemical Society","1996","118","","12059","12065","10.1021/ja961106q","","","0.7107","MoKα","","","0.052","","","0.067","","","","","1.46","1.46","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117215","12.215","0.002","12.218","0.003","26.562","0.006","90","","90","","120","","3433.1","1.3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","Lithium-1,1-bicyclopropylethanolate","","- C8 H13 Li O -","- C8 H13 Li O -","- C144 H234 Li18 O18 -","18","1","","Bernd Goldfuss; Paul von Ragué Schleyer; Frank Hampel","A ""Lithium-Bonded"" Cyclopropyl Edge: The X-ray Crystal Structure of [Li-O-C(Me)-(c-CHCH2CH2)2]6 and Computational Studies","Journal of the American Chemical Society","1996","118","","12183","12189","10.1021/ja9618661","","","0.71073","MoKα","","0.0654","0.0492","","0.1385","0.1234","","","","1.11","1.136","1.136","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117216","11.4251","0.0008","8.0931","0.0008","16.441","0.002","90","","108.424","0.007","90","","1442.3","0.3","25","","25","","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,6S,6'S)-6,6'-Dimethyl-4,4'-spirobi(siloleno[3,2-b]thiophene)","","- C14 H16 S2 Si -","- C14 H16 S2 Si -","- C56 H64 S8 Si4 -","4","2","","Kohei Tamao; Kazunori Nakamura; Hiroyuki Ishii; Shigehiro Yamaguchi; Motoo Shiro","Axially Chiral Spirosilanes via Catalytic Asymmetric Intramolecular Hydrosilation","Journal of the American Chemical Society","1996","118","","12469","12470","10.1021/ja962754c","","","1.5418","CuKalpha","","","0.033","","","0.046","","","","","1.35","1.35","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117217","42.234","0.005","10.804","0.001","22.765","0.002","90","","94.702","0.008","90","","10352.6","1.8","213","2","213","2","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","Ta2(μ-H)2Cl2(Cy2N)4","","","- C48 H90 Cl2 N4 Ta2 -","- C48 H90 Cl2 N4 Ta2 -","- C384 H720 Cl16 N32 Ta16 -","8","1","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Xiaoping Wang","A Wonderful Bond That Wasn't There: Reformulation of a Compound ""Containing a Ta-Ta Bond without Bridging Ligands"" as [(Cy~2~N)~2~ClTa(μ-H)]~2~","Journal of the American Chemical Society","1996","118","","12449","12450","10.1021/ja9629165","","","0.71073","MoKα","","0.0367","0.0324","","0.0861","0.0804","","","","1.09","1.089","1.089","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117218","6.184","0.002","11.471","0.004","14.676","0.005","80.45","0.03","80.54","0.03","80.86","0.03","1003.4","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","Tris(dimethylamino)phosphane","","- C6 H18 N3 P -","- C6 H18 N3 P -","- C24 H72 N12 P4 -","4","2","","Norbert W. Mitzel; Bruce A. Smart; Karl-Heinz Dreihäupl; David W. H. Rankin; Hubert Schmidbaur","Low Symmetry in P(NR2)3 Skeletons and Related Fragments: An Inherent Phenomenon","Journal of the American Chemical Society","1996","118","","12673","12682","10.1021/ja9621861","","","0.71073","MoKα","","0.0983","0.0631","","0.2266","0.1699","","","","1.016","1.055","1.055","","","","","has coordinates,has Fobs","178943","2020-10-21","18:00:00",""
"4117219","11.593","0.002","12.446","0.003","7.297","0.003","90","","90","","90","","1052.9","0.5","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Tris(dimethylamino)methylene-phosphorane","","- C7 H20 N3 P -","- C7 H20 N3 P -","- C28 H80 N12 P4 -","4","1","","Norbert W. Mitzel; Bruce A. Smart; Karl-Heinz Dreihäupl; David W. H. Rankin; Hubert Schmidbaur","Low Symmetry in P(NR2)3 Skeletons and Related Fragments: An Inherent Phenomenon","Journal of the American Chemical Society","1996","118","","12673","12682","10.1021/ja9621861","","","0.71073","MoKα","","0.0875","0.0479","","0.1112","0.096","","","","1.019","1.076","1.076","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4117220","13.304","0.004","20.151","0.005","9.201","0.002","90.82","0.02","101.77","0.02","100.65","0.02","2369.8","1.1","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C47.5 H53 F3 Fe N5 O S -","- C100 H110 F12 Fe2 N12 O4 S2 -","- C100 H110 F12 Fe2 N12 O4 S2 -","","","","Norikazu Ueyama; Nami Nishikawa; Yusuke Yamada; Taka-aki Okamura; Akira Nakamura","Cytochrome P-450 Model (Porphinato)(thiolato)iron(III) Complexes with Single and Double NH...S Hydrogen Bonds at the Thiolate Site","Journal of the American Chemical Society","1996","118","","12826","12827","10.1021/ja9622970","","","0.7107","MoKalpha","","","0.063","","","0.069","","","","","1.81","1.81","","","","","has coordinates","189883","2020-10-21","18:00:00",""
"4117221","13.467","0.004","14.797","0.006","12.821","0.005","103.88","0.03","107.71","0.03","65.94","0.02","2202.5","1.5","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C47.5 H53 F3 Fe N5 O S -","- C96 H110 F6 Fe2 N10 O2 S2 -","- C96 H110 F6 Fe2 N10 O2 S2 -","","","","Norikazu Ueyama; Nami Nishikawa; Yusuke Yamada; Taka-aki Okamura; Akira Nakamura","Cytochrome P-450 Model (Porphinato)(thiolato)iron(III) Complexes with Single and Double NH...S Hydrogen Bonds at the Thiolate Site","Journal of the American Chemical Society","1996","118","","12826","12827","10.1021/ja9622970","","","0.7107","MoKalpha","","","0.069","","","0.068","","","","","1.83","1.83","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117222","23.777","0.003","12.744","0.005","9.092","0.003","90","","90","","90","","2755","1.5","296.2","","296.2","","","","","","","","Dansylamidoethyl-cyclen Zn","7","P n a 21","P 2c -2n","33","ZnL","","","- C22 H35 Cl N6 O6 S Zn -","- C22 H35 Cl N6 O6 S Zn -","- C88 H140 Cl4 N24 O24 S4 Zn4 -","4","1","","Tohru Koike; Tomohiko Watanabe; Shin Aoki; Eiichi Kimura; Motoo Shiro","A Novel Biomimetic Zinc(II)-Fluorophore, Dansylamidoethyl-Pendant Macrocyclic Tetraamine 1,4,7,10-Tetraazacyclododecane (Cyclen)","Journal of the American Chemical Society","1996","118","","12696","12703","10.1021/ja962527a","","","1.5418","CuKα","","","0.0318","","","0.0474","","","","","1.311","1.311","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117223","17.354","0.005","17.479","0.005","16.664","0.004","89.95","0.02","100.66","0.02","90.02","0.02","4967","2","476.2","","476.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Cu N2 O2 -","- C34 H22 Cu N2 O2 -","- C272 H176 Cu8 N16 O16 -","8","1","","Yadong Wang; T. D. P. Stack","Galactose Oxidase Model Complexes: Catalytic Reactivities","Journal of the American Chemical Society","1996","118","","13097","13098","10.1021/ja9621354","","","0.7109","MoKalpha","","","0.049","","","0.043","","","","","1.71","1.71","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117224","10.4865","0.0009","15.996","0.001","17.986","0.002","69.347","0.001","88.254","0.001","81.377","0.001","2790.4","0.4","273.2","","273.2","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 Cu N2 O2 S2 -","- C48 H50 Cu N2 O2 S2 -","- C96 H100 Cu2 N4 O4 S4 -","2","1","","Yadong Wang; T. D. P. Stack","Galactose Oxidase Model Complexes: Catalytic Reactivities","Journal of the American Chemical Society","1996","118","","13097","13098","10.1021/ja9621354","","","0.7107","MoKalpha","","","0.087","","","0.097","","","","","2.73","2.73","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117225","11.976","0.005","14.584","0.004","16.913","0.005","90","","90","","90","","2954","1.7","293","2","293","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Cr O7 -","- C28 H38 Cr O7 -","- C112 H152 Cr4 O28 -","4","1","","José Barluenga; Andrés A. Trabanco; Josefa Flórez; Santiago García-Granda; Eduardo Martín","Asymmetric Conjugate Nucleophilic Addition of Organolithiums to Chromium (Menthyloxy)(aryl)carbene Complexes","Journal of the American Chemical Society","1996","118","","13099","13100","10.1021/ja962770+","","","0.71073","MoKα","","0.081","0.0352","","0.0845","0.0725","","","","1.05","1.097","1.097","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117226","15.751","0.007","16.645","0.007","18.886","0.009","80.27","0.04","65.06","0.04","83.72","0.04","4421","4","223","","223","","","","","","","","","8","P -1","-P 1","2","","","","- C87.21 Cl3.29 F2.13 N2 O3.13 P4 Re2 S0.71 -","- C89 H83 Cl5 F3 N2 O5 P4 Re2 S -","- C178 H166 Cl10 F6 N4 O10 P8 Re4 S2 -","2","1","","Wengan Wu; Phillip E. Fanwick; Richard A. Walton","The First Example of Isomerization of a Dimetal Complex Involving the Switch of a Metal-Metal Bond Order from 3 to 0. Synthesis and Characterization of the Paramagnetic Mixed-Valence Complex Cation [(XylNC)(OC)Re(μ-Cl)2(μ-dppm)2ReCl(CNXyl)]+1","Journal of the American Chemical Society","1996","118","","13091","13092","10.1021/ja962910f","","","0.71073","Mo-Kα","","0.07","0.052","","0.174","0.158","","","","1.064","1.085","1.085","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117227","21.474","0.003","14.163","0.002","17.112","0.002","90","","98.32","0.01","90","","5149.6","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H80 Au4 F12 N4 O10 P4 -","- C88 H72 Au4 F12 N4 O10 P4 -","- C176 H144 Au8 F24 N8 O20 P8 -","2","0.5","","Michael J. Irwin; Jagadese J. Vittal; Glenn P. A. Yap; Richard J. Puddephatt","Linear Gold(I) Coordination Polymers: A Polymer with a Unique Sine Wave Conformation","Journal of the American Chemical Society","1996","118","","13101","13102","10.1021/ja963441k","","","0.71073","MoKα","","0.1652","0.0814","","0.2507","0.1939","","","","1.028","1.113","1.113","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117228","8.8985","0.0009","9.59","0.001","13.771","0.001","104.474","0.001","106.781","0.002","100.067","0.002","1050.05","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H38 Au2 F6 N2 O4 P2 -","- C44 H38 Au2 F6 N2 O4 P2 -","- C44 H38 Au2 F6 N2 O4 P2 -","1","0.5","","Michael J. Irwin; Jagadese J. Vittal; Glenn P. A. Yap; Richard J. Puddephatt","Linear Gold(I) Coordination Polymers: A Polymer with a Unique Sine Wave Conformation","Journal of the American Chemical Society","1996","118","","13101","13102","10.1021/ja963441k","","","0.71073","MoKα","","0.0283","0.0262","","0.082","0.0633","","","","1.064","1.063","1.063","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4123934","9.957","","9.957","","54.55","","90","","90","","120","","4683.63","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Cs5 ((Re Br)6 S8) Br","","- Br7 Cs5 Re6 S8 -","- Br7 Cs5 Re6 S8 -","- Br42 Cs30 Re36 S48 -","6","0.166667","","Long, J.R.; McCarty, L.S.; Holm, R.H.","A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction","Journal of the American Chemical Society","1996","118","","4603","4616","","","","","","","","","","","","","","","","","","","","","","has coordinates","141214","2020-10-21","18:00:00",""
"4123935","15.842","","15.842","","15.842","","90","","90","","90","","3975.85","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Cs6 ((Re I)6 S8) I2","","- Cs6 I8 Re6 S8 -","- Cs6 I8 Re6 S8 -","- Cs24 I32 Re24 S32 -","4","0.0208333","","Long, J.R.; McCarty, L.S.; Holm, R.H.","A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction","Journal of the American Chemical Society","1996","118","","4603","4616","","","","","","","","","","","","","","","","","","","","","","has coordinates","141215","2020-10-21","18:00:00",""
"4123936","6.544","","18.687","","9.263","","90","","104.26","","90","","1097.85","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cs2 ((Re Br)4 Re2 Se8)","","- Br4 Cs2 Re6 Se8 -","- Br4 Cs2 Re6 Se8 -","- Br8 Cs4 Re12 Se16 -","2","0.5","","Long, J.R.; Holm, R.H.; McCarty, L.S.","A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction","Journal of the American Chemical Society","1996","118","","4603","4616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123937","6.565","","19.678","","15.793","","90","","96.77","","90","","2026.01","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cs ((Re I)3 Re3 Se8)","","- Cs I3 Re6 Se8 -","- Cs I3 Re6 Se8 -","- Cs4 I12 Re24 Se32 -","4","1","","Long, J.R.; McCarty, L.S.; Holm, R.H.","A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction","Journal of the American Chemical Society","1996","118","","4603","4616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123938","10.099","","28.922","","11.667","","90","","106.27","","90","","3271.26","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cs4 ((Re I)6 Se8)","","- Cs4 I6 Re6 Se8 -","- Cs4 I6 Re6 Se8 -","- Cs16 I24 Re24 Se32 -","4","1","","Long, J.R.; McCarty, L.S.; Holm, R.H.","A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction","Journal of the American Chemical Society","1996","118","","4603","4616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""