# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T23:49:49+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 = 121 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
"1100584","8.145","0.001","11.17","0.001","13.241","0.001","105.19","0.01","106.46","0.01","101.38","0.01","1065.85","0.18","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C48 H60 N4 O10 -","2","1","","Bach, Thorsten; Bergmann, Hermann; Harms, Klaus","High Facial Diastereoselectivity in the Photocycloaddition of a Chiral Aromatic Aldehyde and an Enamide Induced by Intermolecular Hydrogen Bonding","Journal of the American Chemical Society","1999","121","","10650","10651","10.1021/ja992209m","","","1.54178","CuKα","","0.0745","0.0483","","","0.1135","0.127","","","","","","1.047","","","","has coordinates","277831","2022-09-14","14:31:32",""
"4116275","8.1922","0.0006","20.794","0.001","21.859","0.002","90","","98.922","0.001","90","","3678.6","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H5 B Cl Ir N6 O2 -","- C35.5 H45 B Cl Ir N6 O2 -","- C142 H180 B4 Cl4 Ir4 N24 O8 -","4","1","","Enrique Gutiérrez-Puebla; Angeles Monge; Margarita Paneque; Manuel L. Poveda; Verónica Salazar; Ernesto Carmona","Activation of Aldehydes by the Ir-2,3-Dimethylbutadiene Complex TpMe2Ir(CH2C(Me)C(Me)CH2)","Journal of the American Chemical Society","1999","121","","248","249","10.1021/ja9819357","","","0.71073","MoKα","","0.0609","0.0568","","0.1706","0.1658","","","","1.01","1.023","1.023","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116276","15.2024","0.0002","24.4219","0.0001","17.1093","0.0002","90","","96.844","0.001","90","","6306.93","0.11","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H60 N16 Ni4 -","- C69 H60 N16 Ni4 -","- C276 H240 N64 Ni16 -","4","1","","Shie-Yang Lai; Tzu-Wei Lin; Yu-Hua Chen; Chih-Chieh Wang; Gene-Hsiang Lee; Ming-hwa Yang; Man-kit Leung; Shie-Ming Peng","Metal String Complexes: Synthesis and Crystal Structure of [Ni4(μ4-phdpda)4] and [Ni7(μ7-teptra)4Cl2] (H2phdpda = N-Phenyldipyridyldiamine and H3teptra = Tetrapyridyltriamine)","Journal of the American Chemical Society","1999","121","","250","251","10.1021/ja982065w","","","0.71073","MoKα","","0.0886","0.0477","","0.1421","0.1213","","","","1.012","1.099","1.099","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116277","19.7542","0.0007","16.9432","0.0005","28.5946","0.0009","90","","95.868","0.001","90","","9520.4","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H59 Cl11 N28 Ni7 -","- C83 H59 Cl11 N28 Ni7 -","- C332 H236 Cl44 N112 Ni28 -","4","1","","Shie-Yang Lai; Tzu-Wei Lin; Yu-Hua Chen; Chih-Chieh Wang; Gene-Hsiang Lee; Ming-hwa Yang; Man-kit Leung; Shie-Ming Peng","Metal String Complexes: Synthesis and Crystal Structure of [Ni4(μ4-phdpda)4] and [Ni7(μ7-teptra)4Cl2] (H2phdpda = N-Phenyldipyridyldiamine and H3teptra = Tetrapyridyltriamine)","Journal of the American Chemical Society","1999","121","","250","251","10.1021/ja982065w","","","0.71073","MoKα","","0.1506","0.0824","","0.302","0.246","","","","1.072","1.215","1.215","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116278","12.3729","0.0004","12.3729","0.0004","12.3729","0.0004","79.96","","79.96","","79.96","","1816.23","0.1","223","2","223","2","","","","","","","","5","R -3 :R","-P 3*","148","","methylviologen lead(II) iodide","","- C12 H14 I6 N2 Pb2 -","- C12 H14 I6 N2 Pb2 -","- C36 H42 I18 N6 Pb6 -","3","0.5","","Zhongjia Tang; Arnold M. Guloy","A Methylviologen Lead(II) Iodide: Novel [PbI3-]∞Chains with Mixed Octahedral and Trigonal Prismatic Coordination","Journal of the American Chemical Society","1999","121","","452","453","10.1021/ja982702i","","","0.71073","MoKα","","0.0427","0.0377","","0.0988","0.0951","","","","1.174","1.185","1.185","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116279","23.605","0.004","12.824","0.002","25.648","0.004","90","","104.041","0.0005","90","","7532","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[OsCl(O)(dcpe)2]BPh4","","","- C77 H118 B Cl3 O Os P4 -","- C77 H102 B Cl3 O Os P4 -","- C308 H408 B4 Cl12 O4 Os4 P16 -","4","1","","Peter Barthazy; Michael Wörle; Antonio Mezzetti","Dioxygen Activation at [OsCl(dcpe)2]+ Gives [OsCl(O)(dcpe)2]+, the First Stable Oxo Complex of Osmium(IV)","Journal of the American Chemical Society","1999","121","","480","481","10.1021/ja982736q","","","0.71073","MoKα","","0.1163","0.0462","","0.1148","0.0904","","","","0.979","1.067","1.067","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116280","23.585","0.004","12.764","0.002","25.587","0.004","90","","103.988","0.001","90","","7474","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[OsCl(O2)(dcpe)2]BPh4","","","- C77 H118 B Cl3 O2 Os P4 -","- C77 H107 B Cl3 O2 Os P4 -","- C308 H428 B4 Cl12 O8 Os4 P16 -","4","1","","Peter Barthazy; Michael Wörle; Antonio Mezzetti","Dioxygen Activation at [OsCl(dcpe)2]+ Gives [OsCl(O)(dcpe)2]+, the First Stable Oxo Complex of Osmium(IV)","Journal of the American Chemical Society","1999","121","","480","481","10.1021/ja982736q","","","0.71073","MoKα","","0.0869","0.046","","0.1181","0.0999","","","","0.973","1.044","1.044","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116281","12.859","0.001","4.999","0.004","19.429","0.005","90","","104.12","0.03","90","","1211.2","1","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 O2 -","- C12 H22 O2 -","- C48 H88 O8 -","4","1","","Robert A. Batey; Avinash N. Thadani; Alan J. Lough","Alkenylboronate Tethered Intramolecular Diels-Alder Reactions","Journal of the American Chemical Society","1999","121","","450","451","10.1021/ja9828004","","","0.71073","MoKα","","0.0998","0.0492","","","0.1151","0.1269","","","","","","0.895","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116282","11.267","0.001","5.48","0.001","19.522","0.001","90","","94.15","0.03","90","","1202.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Robert A. Batey; Avinash N. Thadani; Alan J. Lough","Alkenylboronate Tethered Intramolecular Diels-Alder Reactions","Journal of the American Chemical Society","1999","121","","450","451","10.1021/ja9828004","","","0.71073","MoKα","","0.0698","0.0542","","","0.1513","0.1643","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116283","10.079","0.001","11.954","0.001","13.802","0.001","70.43","0.01","80.85","0.01","83.42","0.01","1543.6","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C72 H96 O8 -","4","2","","Robert A. Batey; Avinash N. Thadani; Alan J. Lough","Alkenylboronate Tethered Intramolecular Diels-Alder Reactions","Journal of the American Chemical Society","1999","121","","450","451","10.1021/ja9828004","","","0.71073","MoKα","","0.0531","0.0442","","","0.1129","0.12","","","","","","1.061","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116284","10.3504","0.0004","10.9465","0.0003","10.9959","0.0004","90","","113.698","0.002","90","","1140.79","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 B O2 -","- C11 H19 B O2 -","- C44 H76 B4 O8 -","4","1","","Robert A. Batey; Avinash N. Thadani; Alan J. Lough","Alkenylboronate Tethered Intramolecular Diels-Alder Reactions","Journal of the American Chemical Society","1999","121","","450","451","10.1021/ja9828004","","","0.71073","MoKα","","0.0719","0.0503","","","0.1446","0.1574","","","","","","1.093","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116285","6.1603","0.00001","7.2903","0.0002","15.9207","0.0001","95.679","0.001","95.058","0.001","96.741","0.001","702.97","0.02","173","2","173","2","","","","","","","C. Evans / Prof. M. Ward","5","P -1","-P 1","2","guanidinium azobenzene-4,4'-disulfonate . 1,4-divinylbenzene","","","- C24 H30 N8 O6 S2 -","- C24 H30 N8 O6 S2 -","- C24 H30 N8 O6 S2 -","1","0.5","","Cara C. Evans; Lisa Sukarto; Michael D. Ward","Sterically Controlled Architectural Reversion in Hydrogen-Bonded Crystalline Clathrates","Journal of the American Chemical Society","1999","121","","320","325","10.1021/ja983122o","","","0.71073","MoKα","","0.0485","0.04","","0.1053","0.0989","","","","1.054","1.067","1.067","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116286","7.1781","0.0003","7.3188","0.0004","16.7531","0.0007","89.185","0.002","89.696","0.002","62.094","0.001","777.7","0.06","173","2","173","2","","","","","","","C. Evans / Prof. M. Ward","5","P -1","-P 1","2","guanidinium azobenzene-4,4'-disulfonate . nitrobenzene","","","- C14 H20 N8 O6 S2 -","- C14 H20 N8 O6 S2 -","- C14 H20 N8 O6 S2 -","1","0.5","","Cara C. Evans; Lisa Sukarto; Michael D. Ward","Sterically Controlled Architectural Reversion in Hydrogen-Bonded Crystalline Clathrates","Journal of the American Chemical Society","1999","121","","320","325","10.1021/ja983122o","","","0.71073","MoKα","","0.0841","0.0673","","0.2125","0.2","","","","1.122","1.259","1.259","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116287","6.1845","0.0001","7.2317","0.0002","15.5039","0.0002","94.232","0.001","99.868","0.001","90.512","0.001","681.12","0.02","173","2","173","2","","","","","","","C. Evans / Prof. M. Ward","6","P -1","-P 1","2","guanidinium azobenzene-4,4'-disulfonate . 1,4-dibromobenzene","","","- C20 H24 Br2 N8 O6 S2 -","- C20 H24 Br2 N8 O6 S2 -","- C20 H24 Br2 N8 O6 S2 -","1","0.5","","Cara C. Evans; Lisa Sukarto; Michael D. Ward","Sterically Controlled Architectural Reversion in Hydrogen-Bonded Crystalline Clathrates","Journal of the American Chemical Society","1999","121","","320","325","10.1021/ja983122o","","","0.71073","MoKα","","0.0818","0.0643","","0.1684","0.1593","","","","1.091","1.171","1.171","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116288","11.873","0.004","9.556","0.004","14.089","0.003","90","","92.13","0.02","90","","1597.4","0.9","296.2","","296.2","","","","","","","","prepared by T. Mitsudo et al.","5","P 1 21/n 1","-P 2yn","14","[Cp*RuCl(SPh)]2","","","- C32 H40 Cl2 Ru2 S2 -","- C64 H80 Cl4 Ru4 S4 -","- C128 H160 Cl8 Ru8 S8 -","2","0.5","","Teruyuki Kondo; Shin-ya Uenoyama; Ken-ichi Fujita; Take-aki Mitsudo","First Transition-Metal Complex Catalyzed Addition of Organic Disulfides to Alkenes Enables the Rapid Synthesis of vicinal-Dithioethers","Journal of the American Chemical Society","1999","121","","482","483","10.1021/ja983497+","","","0.7107","MoKα","","0.0428","0.0428","","","0.0459","0.0459","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4116289","22.72","0.02","22.72","0.02","13.54","0.01","90","","90","","90","","6989","10","153.2","","153.2","","","","","","","","","6","I -4","I -4","82","","","","- C52 H32 Cl4 N8 O12 Re4 -","- C58 H32 Cl4 N8 O14 Re4 -","- C232 H128 Cl16 N32 O56 Re16 -","4","0.5","","Suzanne Bélanger; Joseph T. Hupp; Charlotte L. Stern; Robert V. Slone; David F. Watson; Thomas G. Carrell","Thin-Film Molecular Materials Based on Tetrametallic ""Squares"": Nanoscale Porosity and Size-Selective Guest Transport Characteristics","Journal of the American Chemical Society","1999","121","","557","563","10.1021/ja9829867","","","0.7107","MoKα","","0.1322","0.0587","","0.0656","0.0595","","","","1.822","2.063","2.063","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116290","16.347","0.003","18.661","0.004","6.621","0.001","98.4","0.02","96.53","0.02","112.44","0.01","1814.8","0.6","293.2","","293.2","","","","","","","","electrochemical oxidation","7","P -1","-P 1","2","lambda-(BETS)2GaBr2.0Cl2.0","","","- C20 H16 Br2 Cl2 Ga S8 Se8 -","- C20 H16 Cl6.123 Ga S8 Se8 -","- C40 H32 Cl12.246 Ga2 S16 Se16 -","2","1","","Hisashi Tanaka; Akiko Kobayashi; Akane Sato; Hiroki Akutsu; Hayao Kobayashi","Chemical Control of Electrical Properties and Phase Diagram of a Series of λ-Type BETS Superconductors, λ-(BETS)2GaBrxCl4-x","Journal of the American Chemical Society","1999","121","","760","768","10.1021/ja9827806","","","0.7107","MoKα","","","0.0439","","","0.0279","","","","","1.764","1.764","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116291","16","0.01","18.42","0.01","6.535","0.005","98.79","0.05","95.49","0.07","112.1","0.04","1739","2","7.2","","7.2","","","","","","","","electrochemical oxidation","7","P -1","-P 1","2","lambda-(BETS)2GaBr1.3Cl2.7-7K","","","- C20 H16 Br1.3 Cl2.7 Ga S8 Se8 -","- C20 H16 Cl5.47 Ga S8 Se8 -","- C40 H32 Cl10.94 Ga2 S16 Se16 -","2","1","","Hisashi Tanaka; Akiko Kobayashi; Akane Sato; Hiroki Akutsu; Hayao Kobayashi","Chemical Control of Electrical Properties and Phase Diagram of a Series of λ-Type BETS Superconductors, λ-(BETS)2GaBrxCl4-x","Journal of the American Chemical Society","1999","121","","760","768","10.1021/ja9827806","","","0.7107","MoKα","","","0.0608","","","0.0843","","","","","4.956","4.956","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116292","15.906","0.004","18.43","0.005","6.536","0.002","98.6","0.02","95.81","0.03","111.99","0.02","1730.6","0.9","7.2","","7.2","","","","","","","","electrochemical oxidation","7","P -1","-P 1","2","lambda-(BETS)2GaBr0.3Cl3.3-7K","","","- C20 H16 Br0.3 Cl3.7 Ga S8 Se8 -","- C20 H16 Cl4.57 Ga S8 Se8 -","- C40 H32 Cl9.14 Ga2 S16 Se16 -","2","1","","Hisashi Tanaka; Akiko Kobayashi; Akane Sato; Hiroki Akutsu; Hayao Kobayashi","Chemical Control of Electrical Properties and Phase Diagram of a Series of λ-Type BETS Superconductors, λ-(BETS)2GaBrxCl4-x","Journal of the American Chemical Society","1999","121","","760","768","10.1021/ja9827806","","","0.7107","MoKα","","","0.0663","","","0.0783","","","","","3.594","3.594","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116293","19.9721","0.0005","7.0005","0.0001","19.5456","0.0005","90","","104.013","0.001","90","","2651.44","0.1","298","2","298","2","","","","","","","chemical synthesis","2","P 1 21/c 1","-P 2ybc","14","Hexabenzotriphenylene","Dibenzo[f,j]phenanthro[9,10-s]picene","","- C42 H24 -","- C42 H24 -","- C168 H96 -","4","1","","Lisa Barnett; Douglas M. Ho; Kim K. Baldridge; Robert A. Pascal","The Structure of Hexabenzotriphenylene and the Problem of Overcrowded ""D3h"" Polycyclic Aromatic Compounds","Journal of the American Chemical Society","1999","121","","727","733","10.1021/ja983471i","","","0.71074","MoKα","","0.1007","0.0512","","0.1327","0.1091","","","","1.013","1.095","1.095","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116294","6.6749","0.0016","11.7178","0.0014","8.6148","0.0014","90","","103.297","0.016","90","","655.7","0.2","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 N5 S3 -","- C4 N5 S3 -","- C16 N20 S12 -","4","1","","T. M. Barclay; A. W. Cordes; R. C. Haddon; M. E. Itkis; R. T. Oakley; R. W. Reed; H. Zhang","Preparation and Characterization of a Neutral π-Radical Molecular Conductor","Journal of the American Chemical Society","1999","121","","969","976","10.1021/ja983490s","","","0.7107","MolybdenumKα","","0.037","","","0.05","","","","","","1.25","1.25","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116295","8.699","0.0011","6.8203","0.0017","9.4167","0.001","90","","111.261","0.009","90","","520.67","0.16","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C4 Cl3 N5 S3 -","- C4 Cl3 N5 S3 -","- C8 Cl6 N10 S6 -","2","0.5","","T. M. Barclay; A. W. Cordes; R. C. Haddon; M. E. Itkis; R. T. Oakley; R. W. Reed; H. Zhang","Preparation and Characterization of a Neutral π-Radical Molecular Conductor","Journal of the American Chemical Society","1999","121","","969","976","10.1021/ja983490s","","","0.7107","MolybdenumKα","","0.032","","","0.036","","","","","","1.21","1.21","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116296","12.221","0.008","11.052","0.007","18.194","0.009","90","","97.12","0.03","90","","2438","3","298.2","","298.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 Br Cl2 N4 O10 Zn -","- C16 H27 Br Cl2 N4 O10 Zn -","- C64 H108 Br4 Cl8 N16 O40 Zn4 -","4","1","","Eiichi Kimura; Teruhiro Gotoh; Tohru Koike; Motoo Shiro","Dynamic Enolate Recognition in Aqueous Solution by Zinc(II) in a Phenacyl-Pendant Cyclen Complex: Implications for the Role of Zinc(II) in Class II Aldolases","Journal of the American Chemical Society","1999","121","","1267","1274","10.1021/ja982904e","","","0.7107","MoKα","","","0.041","","","0.0461","","","","","1.181","1.181","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116297","11.372","0.002","14.061","0.003","15.233","0.003","90","","103.12","0.03","90","","2372.2","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-{(C5Me5)Ru}2B3H9","","- C20 H39 B3 Ru2 -","- C20 H30 B3 Ru2 -","- C80 H120 B12 Ru8 -","4","0.5","","Xinjian Lei; Maoyu Shang; Thomas P. Fehlner","Chemistry of Dimetallaboranes Derived from the Reaction of [Cp*MCl2]2 with Monoboranes (M = Ru, Rh; Cp* = η5-C5Me5)","Journal of the American Chemical Society","1999","121","","1275","1287","10.1021/ja982954j","","","0.71073","MoKα","","0.0736","0.0657","","","0.1804","0.1885","","","","","","1.093","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116298","34.003","0.003","34.003","0.003","8.3206","0.0011","90","","90","","90","","9620.3","1.7","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","{(C5Me5)Ru}2B4H10","","- C20 H40 B4 Ru2 -","- C20 H40 B4 Ru2 -","- C320 H640 B64 Ru32 -","16","1","","Xinjian Lei; Maoyu Shang; Thomas P. Fehlner","Chemistry of Dimetallaboranes Derived from the Reaction of [Cp*MCl2]2 with Monoboranes (M = Ru, Rh; Cp* = η5-C5Me5)","Journal of the American Chemical Society","1999","121","","1275","1287","10.1021/ja982954j","","","0.71073","MoKα","","0.0364","0.0278","","0.0879","0.0658","","","","1.067","1.006","1.006","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116299","8.532","0.003","38.001","0.004","9.327","0.003","90","","116.68","0.03","90","","2702.1","1.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1-(Cp*Ru)-2-(Cp*RuCO)-3-Co(CO)2-(mu-CO)B3H6","","- C24 H36 B3 Co O4 Ru2 -","- C24 H36 B3 Co O4 Ru2 -","- C96 H144 B12 Co4 O16 Ru8 -","4","1","","Xinjian Lei; Maoyu Shang; Thomas P. Fehlner","Chemistry of Dimetallaboranes Derived from the Reaction of [Cp*MCl2]2 with Monoboranes (M = Ru, Rh; Cp* = η5-C5Me5)","Journal of the American Chemical Society","1999","121","","1275","1287","10.1021/ja982954j","","","0.71073","MoKα","","0.0653","0.0644","","0.1768","0.1759","","","","1.082","1.085","1.085","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116300","8.7431","0.0015","8.901","0.0015","16.019","0.003","105.446","0.012","103.633","0.014","90.769","0.013","1163.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,3-{Cp*Ru}2B4H8","","- C20 H38 B4 Ru2 -","- C20 H38 B4 Ru2 -","- C40 H76 B8 Ru4 -","2","1","","Xinjian Lei; Maoyu Shang; Thomas P. Fehlner","Chemistry of Dimetallaboranes Derived from the Reaction of [Cp*MCl2]2 with Monoboranes (M = Ru, Rh; Cp* = η5-C5Me5)","Journal of the American Chemical Society","1999","121","","1275","1287","10.1021/ja982954j","","","0.71073","MoKα","","0.0349","0.0321","","0.0864","0.0836","","","","1.125","1.164","1.164","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116301","9.241","0.003","15.112","0.003","20.047","0.003","90","","99.944","0.01","90","","2757.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{Cp*Ru}2{Fe(CO)3}(mu-CO)B4H4","","- C24 H34 B4 Fe O4 Ru2 -","- C24 H34 B4 Fe O4 Ru2 -","- C96 H136 B16 Fe4 O16 Ru8 -","4","1","","Xinjian Lei; Maoyu Shang; Thomas P. Fehlner","Chemistry of Dimetallaboranes Derived from the Reaction of [Cp*MCl2]2 with Monoboranes (M = Ru, Rh; Cp* = η5-C5Me5)","Journal of the American Chemical Society","1999","121","","1275","1287","10.1021/ja982954j","","","0.71073","MoKα","","0.0363","0.0323","","0.0912","0.0866","","","","1.108","1.11","1.11","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116302","15.2677","0.0014","8.7342","0.0011","17.324","0.002","90","","103.572","0.009","90","","2245.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{2,3-(Cp*Rh)2}B3H7","","- C20 H37 B3 Rh2 -","- C20 H37 B3 Rh2 -","- C80 H148 B12 Rh8 -","4","1","","Xinjian Lei; Maoyu Shang; Thomas P. Fehlner","Chemistry of Dimetallaboranes Derived from the Reaction of [Cp*MCl2]2 with Monoboranes (M = Ru, Rh; Cp* = η5-C5Me5)","Journal of the American Chemical Society","1999","121","","1275","1287","10.1021/ja982954j","","","0.71073","MoKα","","0.0298","0.0266","","0.0739","0.0713","","","","1.105","1.116","1.116","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116303","9.476","0.003","22.133","0.008","15.815","0.005","90","","91.75","0.03","90","","3315.4","1.9","128","5","293","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 O Si2 Y -","- C31 H55 O Si2 Y -","- C124 H220 O4 Si8 Y4 -","4","1","","Wim T. Klooster; Lee Brammer; Colin J. Schaverien; Peter H. M. Budzelaar","C-H Bonds Are Not Elongated by Coordination to Lanthanide Metals: Single-Crystal Neutron Diffraction Structures of (C5Me5)Y(OC6H3tBu2)CH(SiMe3)2 at 20 K and (C5Me5)La{CH(SiMe3)2}2 at 15 K","Journal of the American Chemical Society","1999","121","","1381","1382","10.1021/ja983068b","","","0.71073","MoKα","","0.1329","0.0695","","0.2285","0.1548","","","","0.993","1.042","1.042","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116304","9.393","0.001","22.099","0.004","15.768","0.003","90","","92.52","0.01","90","","3269.9","0.9","20","0.5","20","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 O Si2 Y -","- C31 H55 O Si2 Y -","- C124 H220 O4 Si8 Y4 -","4","1","","Wim T. Klooster; Lee Brammer; Colin J. Schaverien; Peter H. M. Budzelaar","C-H Bonds Are Not Elongated by Coordination to Lanthanide Metals: Single-Crystal Neutron Diffraction Structures of (C5Me5)Y(OC6H3tBu2)CH(SiMe3)2 at 20 K and (C5Me5)La{CH(SiMe3)2}2 at 15 K","Journal of the American Chemical Society","1999","121","","1381","1382","10.1021/ja983068b","","neutron","1.15863","neutron","","0.164","0.164","","0.112","0.112","","","","1.064","1.064","1.064","","","","","has coordinates","282086","2023-03-28","13:50:54",""
"4116305","18.458","0.005","18.458","0.005","15.936","0.005","90","","90","","120","","4702","2","15","0.5","15","","","","","","","","","4","P 63","P 6c","173","","","","- C24 H53 La Si4 -","- C24 H53 La Si4 -","- C144 H318 La6 Si24 -","6","1","","Wim T. Klooster; Lee Brammer; Colin J. Schaverien; Peter H. M. Budzelaar","C-H Bonds Are Not Elongated by Coordination to Lanthanide Metals: Single-Crystal Neutron Diffraction Structures of (C5Me5)Y(OC6H3tBu2)CH(SiMe3)2 at 20 K and (C5Me5)La{CH(SiMe3)2}2 at 15 K","Journal of the American Chemical Society","1999","121","","1381","1382","10.1021/ja983068b","","neutron","1.15863","neutron","","0.221","0.221","","0.101","0.101","","","","1.289","1.289","1.289","","","","","has coordinates","282086","2023-03-28","13:50:54",""
"4116306","20.488","0.004","17.89","0.004","25.116","0.005","90","","90","","90","","9206","3","293","2","293","2","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C81 H114 Cl2 Cr F6 Fe2 N6 O9 P S6 -","- C81 H114 Cl2 Cr F6 Fe2 N6 O9 P S6 -","- C324 H456 Cl8 Cr4 F24 Fe8 N24 O36 P4 S24 -","4","1","","Thorsten Glaser; Thomas Beissel; Eckhard Bill; Thomas Weyhermüller; Volker Schünemann; Wolfram Meyer-Klaucke; Alfred X. Trautwein; Karl Wieghardt","Electronic Structure of Linear Thiophenolate-Bridged Heterotrinuclear Complexes [LFeMFeL]n+ (M = Cr, Co, Fe; n= 1-3): Localized vs Delocalized Models","Journal of the American Chemical Society","1999","121","","2193","2208","10.1021/ja982898m","","","0.71073","MoKα","","0.1216","0.0631","","0.2147","0.1671","","","","0.987","1.065","1.065","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116307","13.173","0.003","13.453","0.003","15.675","0.004","104.1","0.03","99.5","0.03","90.74","0.03","2653.1","1.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C96 H138 Co F18 Fe2 N12 O2 P3 S6 -","- C96 H120 Co F18 Fe2 N12 O2 P3 S6 -","- C96 H120 Co F18 Fe2 N12 O2 P3 S6 -","1","0.5","","Thorsten Glaser; Thomas Beissel; Eckhard Bill; Thomas Weyhermüller; Volker Schünemann; Wolfram Meyer-Klaucke; Alfred X. Trautwein; Karl Wieghardt","Electronic Structure of Linear Thiophenolate-Bridged Heterotrinuclear Complexes [LFeMFeL]n+ (M = Cr, Co, Fe; n= 1-3): Localized vs Delocalized Models","Journal of the American Chemical Society","1999","121","","2193","2208","10.1021/ja982898m","","","0.71073","MoKα","","0.0909","0.0647","","0.1971","0.1728","","","","1.043","1.059","1.059","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116308","15.403","0.003","16.474","0.003","22.935","0.004","94.38","0.03","94.36","0.03","91.61","0.03","5782.6","1.9","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C111 H146 B2 F4 Fe3 N6 O3 S6 -","- C108 H110 B2 F4 Fe3 N6 O2 S6 -","- C216 H220 B4 F8 Fe6 N12 O4 S12 -","2","1","","Thorsten Glaser; Thomas Beissel; Eckhard Bill; Thomas Weyhermüller; Volker Schünemann; Wolfram Meyer-Klaucke; Alfred X. Trautwein; Karl Wieghardt","Electronic Structure of Linear Thiophenolate-Bridged Heterotrinuclear Complexes [LFeMFeL]n+ (M = Cr, Co, Fe; n= 1-3): Localized vs Delocalized Models","Journal of the American Chemical Society","1999","121","","2193","2208","10.1021/ja982898m","","","0.71073","MoKα","","0.1448","0.101","","0.3183","0.2347","","","","1.103","1.142","1.142","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116309","14.083","0.003","12.329","0.001","23.834","0.003","90","","97.36","0.01","90","","4104.2","1.1","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetraphenylphosphonium nonacarbonyltri(μ-hydrido)(μ~3~-methyl)trirhenate diethylether solvate","","- C38 H36 O10 P Re3 -","- C34 H26 O9 P Re3 -","- C136 H104 O36 P4 Re12 -","4","1","","T. Beringhelli; G. D'Alfonso; M. Panigati; F. Porta; P. Mercandelli; M. Moret; A. Sironi","A Methyl Group Bridging on Three Metal Atoms. Solid-State and Solution Structural Characterization of the [Re3(μ-H)3(μ3-CH3)(CO)9]- Anion","Journal of the American Chemical Society","1999","121","","2307","2308","10.1021/ja983379m","","","0.71073","MoKα","","0.0355","0.0208","","0.0463","0.0443","","","","0.942","","","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116310","14.3763","0.0008","16.6844","0.0015","15.0123","0.0012","90","","100.424","0.006","90","","3541.4","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 F6 P3 W -","- C36 H42 F6 P3 W -","- C144 H168 F24 P12 W4 -","4","1","","Brett Pleune; Dolores Morales; Rita Meunier-Prest; Philippe Richard; Edmond Collange; James C. Fettinger; Rinaldo Poli","Stable Paramagnetic Half-Sandwich Mo(V) and W(V) Polyhydride Complexes. Structural, Spectroscopic, Electrochemical, Theoretical, and Decomposition Mechanism Studies of [Cp*MH3(dppe)]+ (M = Mo, W)","Journal of the American Chemical Society","1999","121","","2209","2225","10.1021/ja9834881","","","0.71073","MoKα","","0.0713","0.0412","","0.0861","0.0767","","","","1.076","1.131","1.131","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116311","14.4683","0.0015","16.4788","0.0015","15.0809","0.0015","90","","100.14","0.008","90","","3539.4","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H43 F6 P3 W -","- C36 H39 F6 P3 W -","- C144 H156 F24 P12 W4 -","4","1","","Brett Pleune; Dolores Morales; Rita Meunier-Prest; Philippe Richard; Edmond Collange; James C. Fettinger; Rinaldo Poli","Stable Paramagnetic Half-Sandwich Mo(V) and W(V) Polyhydride Complexes. Structural, Spectroscopic, Electrochemical, Theoretical, and Decomposition Mechanism Studies of [Cp*MH3(dppe)]+ (M = Mo, W)","Journal of the American Chemical Society","1999","121","","2209","2225","10.1021/ja9834881","","","0.71073","MoKα","","0.1035","0.0558","","","0.1101","0.1265","","","","","","1.056","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116312","13.222","0.003","14.062","0.003","14.818","0.003","90","","112.76","0.03","90","","2540.5","1.1","173","2","293","2","","","","","","","Y. Zang / Prof. Que","6","P 1 21/n 1","-P 2yn","14","40215","","","- C50 H64 Cl2 Fe2 N8 O12 -","- C50 H64 Cl2 Fe2 N8 O12 -","- C100 H128 Cl4 Fe4 N16 O24 -","2","0.5","","Hui Zheng; Yan Zang; Yanhong Dong; Victor G. Young; Lawrence Que","Complexes with FeIII2(μ-O)(μ-OH), FeIII2(μ-O)2, and [FeIII3(μ2-O)3] Cores: Structures, Spectroscopy, and Core Interconversions","Journal of the American Chemical Society","1999","121","","2226","2235","10.1021/ja983615t","","","0.71073","MoKα","","0.1184","0.0656","","0.1767","0.1468","","","","1.046","1.102","1.102","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116313","21.55","0.004","18.984","0.004","12.421","0.003","90","","93.55","0.03","90","","5071.7","1.9","173","2","173","2","","","","","","","Prof. L. Que / Zang","6","P 1 21/c 1","-P 2ybc","14","40167","","","- C46 H56 Cl3 Fe2 N8 O15 -","- C46 H56 Cl3 Fe2 N8 O15 -","- C184 H224 Cl12 Fe8 N32 O60 -","4","1","","Hui Zheng; Yan Zang; Yanhong Dong; Victor G. Young; Lawrence Que","Complexes with FeIII2(μ-O)(μ-OH), FeIII2(μ-O)2, and [FeIII3(μ2-O)3] Cores: Structures, Spectroscopy, and Core Interconversions","Journal of the American Chemical Society","1999","121","","2226","2235","10.1021/ja983615t","","","0.71073","MoKα","","0.1565","0.0685","","0.2013","0.1568","","","","1.01","1.088","1.088","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116314","13.5119","0.0006","11.3219","0.0005","18.6779","0.0008","90","","103.785","0.001","90","","2775.1","0.2","173","2","173","2","","","","","","","Y. Dong / Prof. L. Que","6","P 1 2/n 1","-P 2yac","13","97082","","","- C54 H47 Cl3 Fe2 N9 O14 -","- C54 H47 Cl3 Fe2 N9 O14 -","- C108 H94 Cl6 Fe4 N18 O28 -","2","0.5","","Hui Zheng; Yan Zang; Yanhong Dong; Victor G. Young; Lawrence Que","Complexes with FeIII2(μ-O)(μ-OH), FeIII2(μ-O)2, and [FeIII3(μ2-O)3] Cores: Structures, Spectroscopy, and Core Interconversions","Journal of the American Chemical Society","1999","121","","2226","2235","10.1021/ja983615t","","","0.71073","MoKα","","0.1044","0.067","","0.1574","0.141","","","","1.044","1.128","1.128","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116315","26.1539","0.0001","64.6139","0.0003","12.7408","0.0001","90","","90","","90","","21530.7","0.2","173","2","173","2","","","","","","","Y. Zang/ Prof. L. Que","6","F d d 2","F 2 -2d","43","95060","","","- C44 H68 Cl3 Fe2 N9 O15.5 -","- C44 H68 Cl3 Fe2 N9 O15.5 -","- C704 H1088 Cl48 Fe32 N144 O248 -","16","1","","Hui Zheng; Yan Zang; Yanhong Dong; Victor G. Young; Lawrence Que","Complexes with FeIII2(μ-O)(μ-OH), FeIII2(μ-O)2, and [FeIII3(μ2-O)3] Cores: Structures, Spectroscopy, and Core Interconversions","Journal of the American Chemical Society","1999","121","","2226","2235","10.1021/ja983615t","","","0.71073","MoKα","","0.051","0.0485","","0.1374","0.1327","","","","1.052","1.05","1.05","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116316","25.5756","0.0001","14.4026","0.0002","31.4563","0.0001","90","","105.625","0.001","90","","11158.9","0.17","173","2","173","2","","","","","","","Prof. Que / H. Zheng","7","C 1 c 1","C -2yc","9","98094","","","- C124 H136 B2 Cl Fe3 N14 O7 -","- C124 H130 B2 Cl Fe3 N14 O7 -","- C496 H520 B8 Cl4 Fe12 N56 O28 -","4","1","","Hui Zheng; Yan Zang; Yanhong Dong; Victor G. Young; Lawrence Que","Complexes with FeIII2(μ-O)(μ-OH), FeIII2(μ-O)2, and [FeIII3(μ2-O)3] Cores: Structures, Spectroscopy, and Core Interconversions","Journal of the American Chemical Society","1999","121","","2226","2235","10.1021/ja983615t","","","0.71073","MoKα","","0.0987","0.0656","","0.1332","0.1156","","","","1.089","1.098","1.098","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116317","12.968","0.004","13.279","0.005","12.825","0.003","109.21","0.03","95.38","0.03","114.22","0.02","1833.6","1.2","123.2","","123.2","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H64 B4 Bi Cl10 N24 Na S6 -","- C26 H30 B2 Bi0.5 Cl5 N12 Na0.5 S3 -","- C52 H60 B4 Bi Cl10 N24 Na S6 -","2","1","","John Reglinski; Mark D. Spicer; Mark Garner; Alan R. Kennedy","Structural Consequences of the Use of Hard and Soft Tripodal Ligands during Metathesis Reactions: Synthesis of the [Bis(hydrotris(methimazolyl)borato]bismuth(III) [Bis(hydrotris(pyrazolyl)borato]sodiate","Journal of the American Chemical Society","1999","121","","2317","2318","10.1021/ja983637f","","","0.7107","MoKalpha","","0.0917","0.0538","","0.1093","0.0641","","","","","1.412","1.412","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116318","9.456","0.002","12.088","0.003","13.02","0.003","78.44","0.02","72.55","0.02","69.8","0.02","1324.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Br2 N2 Ni -","- C29 H28 Br2 N2 Ni -","- C58 H56 Br4 N4 Ni2 -","2","1","","Colin D. Abernethy; Jason A. C. Clyburne; Alan H. Cowley; Richard A. Jones","Reactions of Transition-Metal Metallocenes with Stable Carbenes","Journal of the American Chemical Society","1999","121","","2329","2330","10.1021/ja983772s","","","0.71073","MoKα","","0.1169","0.076","","0.2179","0.183","","","","1.069","1.121","1.121","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116319","11.165","0.003","9.693","0.002","23.201","0.005","90","","95.82","0.02","90","","2497.9","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 N4 Ni O -","- C26 H34 N4 Ni O0.5 -","- C104 H136 N16 Ni4 O2 -","4","1","","Colin D. Abernethy; Jason A. C. Clyburne; Alan H. Cowley; Richard A. Jones","Reactions of Transition-Metal Metallocenes with Stable Carbenes","Journal of the American Chemical Society","1999","121","","2329","2330","10.1021/ja983772s","","","0.71073","MoKα","","0.0847","0.055","","0.2675","0.1736","","","","1.03","0.843","0.843","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116320","25.839","0.005","9.501","0.002","21.716","0.005","90","","107.064","0.012","90","","5096.5","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 Cr2 N8 O -","- C52.08 H76.42 Cr2 N8 O -","- C208.32 H305.68 Cr8 N32 O4 -","4","1","","Colin D. Abernethy; Jason A. C. Clyburne; Alan H. Cowley; Richard A. Jones","Reactions of Transition-Metal Metallocenes with Stable Carbenes","Journal of the American Chemical Society","1999","121","","2329","2330","10.1021/ja983772s","","","0.71073","MoKα","","0.0789","0.0469","","0.1399","0.1177","","","","1.112","1.15","1.15","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116321","8.833","0.002","11.178","0.002","11.431","0.002","100.588","0.008","112.708","0.006","113.218","0.012","878.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(2-(2,5-dimethyl(3-thienyl))-3,3,4,4,5,6-hexafluorocyclopent-1-enyl)-2,5-d imethylthiophene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C34 H28 F12 S4 -","2","1","","Seiya Kobatake; Taro Yamada; Kingo Uchida; Nobuo Kato; Masahiro Irie","Photochromism of 1,2-Bis(2,5-dimethyl-3-thienyl)perfluoro- cyclopentene in a Single Crystalline Phase","Journal of the American Chemical Society","1999","121","","2380","2386","10.1021/ja983717j","","","0.71073","MoKα","","0.0507","0.0346","","","0.0969","0.1044","","","","","","0.969","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116322","6.3533","0.0015","24.75","0.006","11.46","0.003","90","","104.891","0.004","90","","1741.5","0.7","304","2","304","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8,8,9,9,10,10-hexafluoro-1,2,4,14-tetramethyl-3,15-dithiatetracyclo[10.3.0.0^2,6^.0^7,11^]pentadeca-4,6(7),11(12),13-tetraene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","1","","Seiya Kobatake; Taro Yamada; Kingo Uchida; Nobuo Kato; Masahiro Irie","Photochromism of 1,2-Bis(2,5-dimethyl-3-thienyl)perfluoro- cyclopentene in a Single Crystalline Phase","Journal of the American Chemical Society","1999","121","","2380","2386","10.1021/ja983717j","","","0.71073","MoKα","","0.1811","0.084","","","0.1592","0.1923","","","","","","1.027","","","","has coordinates","211399","2020-10-21","18:00:00",""
"4116323","10.417","0.002","13.436","0.0016","19.23","0.005","107.841","0.017","101.989","0.02","93.318","0.016","2484.7","0.9","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C61 H51 Ir O P2 -","- C58.5 H43 Ir O P2 -","- C117 H86 Ir2 O2 P4 -","2","1","","Robert D. Gilbertson; Timothy J. R. Weakley; Michael M. Haley","Direct Synthesis of an Iridabenzene from a Nucleophilic 3-Vinyl-1-cyclopropene","Journal of the American Chemical Society","1999","121","","2597","2598","10.1021/ja984420o","","","0.71073","MoKα","","0.06","0.05","","0.067","","0.066","","","3.01","","","3.17","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116324","15.385","0.003","12.688","0.003","17.532","0.003","90","","107.48","","90","","3264.3","1.1","150","0.5","0","","","","","","","","?","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H0 F13 N4 O U2 -","- C10 F13 N4 O U2 -","- C40 F52 N16 O4 U8 -","4","1","","R. J. Francis; P. S. Halasyamani; J. S. Bee; D. O'Hare","Variable Dimensionality in the Uranium Fluoride/2-Methyl-Piperazine System: Syntheses and Structures of UFO-5, -6, and -7; Zero-, One-, and Two-Dimensional Materials with Unprecedented Topologies","Journal of the American Chemical Society","1999","121","","1609","1610","10.1021/ja983629z","","","0.7107","MoKα","","","0.074","","","0.093","","","","","0.9368","0.9368","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116325","13.702","0.001","12.555","0.001","6.607","0.001","90","","107.08","0.04","90","","1086.5","0.3","150","0.5","150","0.5","","","","","","","synthesis as described","6","C 1 2/m 1","-C 2y","12","","","","- C5 H16 F12 N2 O U2 -","- C10 H26 F12 N4 O2 U2 -","- C20 H52 F24 N8 O4 U4 -","2","0.25","","R. J. Francis; P. S. Halasyamani; J. S. Bee; D. O'Hare","Variable Dimensionality in the Uranium Fluoride/2-Methyl-Piperazine System: Syntheses and Structures of UFO-5, -6, and -7; Zero-, One-, and Two-Dimensional Materials with Unprecedented Topologies","Journal of the American Chemical Society","1999","121","","1609","1610","10.1021/ja983629z","","","0.71073","MoKα","","0.0329","0.0307","","0.0707","0.0695","","","","1.104","1.107","1.107","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116326","19.366","0.001","8.599","0.001","14.249","0.001","90","","99.165","0.003","90","","2342.6","0.3","150","0.5","150","0.5","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H17 F11 N2 O U2 -","- C2.5 H6.5 F11 N O U2 -","- C20 H52 F88 N8 O8 U16 -","8","1","","R. J. Francis; P. S. Halasyamani; J. S. Bee; D. O'Hare","Variable Dimensionality in the Uranium Fluoride/2-Methyl-Piperazine System: Syntheses and Structures of UFO-5, -6, and -7; Zero-, One-, and Two-Dimensional Materials with Unprecedented Topologies","Journal of the American Chemical Society","1999","121","","1609","1610","10.1021/ja983629z","","","0.71073","MoKα","","0.064","0.0541","","0.1571","0.1471","","","","1.072","1.097","1.097","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116327","14.6181","0.0011","8.3199","0.0007","11.878","0.0009","90","","115.877","0.003","90","","1299.77","0.18","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","HMPE(gly)2","","","- C10 H18 N2 O4 P2 -","- C10 H20 N2 O4 P2 -","- C40 H80 N8 O16 P8 -","4","0.5","","Douglas E. Berning; Kattesh V. Katti; Charles L. Barnes; Wynn A. Volkert","Chemical and Biomedical Motifs of the Reactions of Hydroxymethylphosphines with Amines, Amino Acids, and Model Peptides","Journal of the American Chemical Society","1999","121","","1658","1664","10.1021/ja9827604","","","0.7093","MolybdenumKα","","0.042","0.042","","0.069","0.069","","","","","2.12","2.12","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116328","6.8627","0.0008","9.354","0.002","14.486","0.004","84.51","0.03","77.44","0.02","86.25","0.03","902.5","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","THP(gly)3","","","- C9 H23 Cl3 N3 O7 P -","- C9 H23 Cl3 N3 O7 P -","- C18 H46 Cl6 N6 O14 P2 -","2","1","","Douglas E. Berning; Kattesh V. Katti; Charles L. Barnes; Wynn A. Volkert","Chemical and Biomedical Motifs of the Reactions of Hydroxymethylphosphines with Amines, Amino Acids, and Model Peptides","Journal of the American Chemical Society","1999","121","","1658","1664","10.1021/ja9827604","","","1.54056","CopperKα","","0.039","0.039","","0.073","0.073","","","","","2.85","2.85","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116329","21.199","0.004","8.1123","0.0007","20.854","0.003","90","","105.51","0.03","90","","3455.7","1","293","","293","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","HMPB-N-methylaniline","","","- C38 H44 N4 P2 -","- C38 H44 N4 P2 -","- C152 H176 N16 P8 -","4","1","","Douglas E. Berning; Kattesh V. Katti; Charles L. Barnes; Wynn A. Volkert","Chemical and Biomedical Motifs of the Reactions of Hydroxymethylphosphines with Amines, Amino Acids, and Model Peptides","Journal of the American Chemical Society","1999","121","","1658","1664","10.1021/ja9827604","","","1.54056","CopperKα","","0.047","0.047","","0.073","0.073","","","","","2.43","2.43","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116330","13.573","0.001","13.279","0.001","10.653","0.001","90","","108.816","0.001","90","","1817.4","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","HMPB(gly)2","","","- C14 H19 Cl N2 O4 P2 -","- C14 H19 Cl N2 O4 P2 -","- C56 H76 Cl4 N8 O16 P8 -","4","0.5","","Douglas E. Berning; Kattesh V. Katti; Charles L. Barnes; Wynn A. Volkert","Chemical and Biomedical Motifs of the Reactions of Hydroxymethylphosphines with Amines, Amino Acids, and Model Peptides","Journal of the American Chemical Society","1999","121","","1658","1664","10.1021/ja9827604","","","0.7093","MolybdenumKα","","0.031","0.031","","0.055","0.055","","","","","1.64","1.64","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116331","7.175","0.004","25.233","0.008","8.394","0.004","90","","90.6","0.02","90","","1519.6","1.2","294","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Cl O2 -","- C9 H7 Cl O2 -","- C72 H56 Cl8 O16 -","8","2","","Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju","Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks","Journal of the American Chemical Society","1999","121","","1936","1944","10.1021/ja981967u","","","0.71073","MoKα","","","0.045","","","","0.057","","","","","","1.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116332","8.306","0.003","7.261","0.002","14.269","0.006","90","","113.13","0.02","90","","791.4","0.5","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Br O2 -","- C9 H8 Br O2 -","- C36 H32 Br4 O8 -","4","1","","Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju","Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks","Journal of the American Chemical Society","1999","121","","1936","1944","10.1021/ja981967u","","","0.71073","MoKα","","","0.032","","","","0.043","","","","","","1.58","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116333","8.304","0.004","7.341","0.002","14.701","0.007","90","","113.11","0.02","90","","824.3","0.6","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 I O2 -","- C9 H8 I O2 -","- C36 H32 I4 O8 -","4","1","","Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju","Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks","Journal of the American Chemical Society","1999","121","","1936","1944","10.1021/ja981967u","","","0.71073","MoKα","","","0.023","","","","0.038","","","","","","1.35","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116334","7.26","0.001","30.507","0.003","8.252","0.002","90","","90.724","0.009","90","","1827.5","0.5","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C88 H80 O32 -","8","2","","Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju","Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks","Journal of the American Chemical Society","1999","121","","1936","1944","10.1021/ja981967u","","","1.5418","CuKα","","","0.047","","","","","","","","","","2.22","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116335","8.599","0.002","11.131","0.002","14.588","0.004","90","","94.68","0.01","90","","1391.6","0.6","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 O2 -","- C9 H9 O2 -","- C72 H72 O16 -","8","2","","Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju","Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks","Journal of the American Chemical Society","1999","121","","1936","1944","10.1021/ja981967u","","","1.54184","CuKα","","","0.039","","","","0.054","","","","","","1.73","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116336","8.998","0.002","13.605","0.002","11.056","0.002","90","","123.448","0.009","90","","1129.3","0.4","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","","Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju","Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks","Journal of the American Chemical Society","1999","121","","1936","1944","10.1021/ja981967u","","","1.54184","CuKα","","","0.048","","","","0.066","","","","","","2.27","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116337","9.944","0.001","7.127","0.001","12.723","0.002","90","","90","","90","","901.7","0.2","294","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","","Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju","Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks","Journal of the American Chemical Society","1999","121","","1936","1944","10.1021/ja981967u","","","1.54184","CuKα","","","0.039","","","","0.064","","","","","","2.75","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116338","14.183","0.004","16.477","0.004","6.387","0.004","90","","90","","90","","1492.6","1.1","291.2","","291.2","","","","","","","","prepared by T. Mitsudo","3","P n m a","-P 2ac 2n","62","tetrabromopentacyclotetradecane","","","- C14 H16 Br4 -","- C14 H16 Br4 -","- C56 H64 Br16 -","4","0.5","","Take-aki Mitsudo; Toshiaki Suzuki; Shi-Wei Zhang; Daisuke Imai; Ken-ichi Fujita; Takao Manabe; Masashi Shiotsuki; Yoshihisa Watanabe; Kenji Wada; Teruyuki Kondo","Novel Ruthenium Complex-Catalyzed Dimerization of 2,5-Norbornadiene to Pentacyclo[6.6.0.0^2,6^.0^3,13^.0^10,14^]tetradeca-4,11-diene Involving Carbon-Carbon Bond Cleavage","Journal of the American Chemical Society","1999","121","9","1839","1850","10.1021/ja9835741","","","0.7107","MoKα","","0","0","","","0","0.034","","","","","","1.88","","","","has coordinates","134518","2020-10-21","18:00:00",""
"4116339","19.708","0.004","7.742","0.004","9.858","0.004","90","","90","","90","","1504.1","1","296.2","","296.2","","","","","","","","prepared by T. Mitsudo et al.","6","P c a 21","P 2c -2ac","29","[AgOTf(PCTD)]n","","","- C15 H16 Ag F3 O3 S -","- C15 H16 Ag F3 O3 S -","- C60 H64 Ag4 F12 O12 S4 -","4","1","","Take-aki Mitsudo; Toshiaki Suzuki; Shi-Wei Zhang; Daisuke Imai; Ken-ichi Fujita; Takao Manabe; Masashi Shiotsuki; Yoshihisa Watanabe; Kenji Wada; Teruyuki Kondo","Novel Ruthenium Complex-Catalyzed Dimerization of 2,5-Norbornadiene to Pentacyclo[6.6.0.0^2,6^.0^3,13^.0^10,14^]tetradeca-4,11-diene Involving Carbon-Carbon Bond Cleavage","Journal of the American Chemical Society","1999","121","9","1839","1850","10.1021/ja9835741","","","0.7107","MoKα","","0.0288","0.0288","","","0.0302","0.0302","","","","","","1.277","","","","has coordinates","134518","2020-10-21","18:00:00",""
"4116340","7.816","0.005","25.19","0.005","11.05","0.006","90","","109.01","0.04","90","","2056.9","1.8","296.2","","296.2","","","","","","","","prepared by T. Mitsudo","4","P 1 21/c 1","-P 2ybc","14","Ru(cot)(dmfm)2","","","- C20 H26 O8 Ru -","- C20 H26 O8 Ru -","- C80 H104 O32 Ru4 -","4","1","","Take-aki Mitsudo; Toshiaki Suzuki; Shi-Wei Zhang; Daisuke Imai; Ken-ichi Fujita; Takao Manabe; Masashi Shiotsuki; Yoshihisa Watanabe; Kenji Wada; Teruyuki Kondo","Novel Ruthenium Complex-Catalyzed Dimerization of 2,5-Norbornadiene to Pentacyclo[6.6.0.02,6.03,13.010,14]tetradeca-4,11-diene Involving Carbon-Carbon Bond Cleavage","Journal of the American Chemical Society","1999","121","9","1839","1850","10.1021/ja9835741","","","0.7107","MoKα","","0","0","","","0","0.0413","","","","","","0.658","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4116341","12.0455","0.0012","7.271","0.0012","16.0707","0.0015","90","","90","","90","","1407.5","0.3","298","1","298","1","","","","","","","","5","F m m m","-F 2 2","69","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.125","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0549","0.0398","","","0.101","0.1057","","","","","","1.076","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116342","12.014","0.002","7.219","0.002","15.805","0.002","90","","90","","90","","1370.8","0.5","150","1","150","1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.25","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0542","0.0371","","0.0994","0.0917","","","","1.096","1.117","1.117","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116343","11.998","0.004","7.203","0.006","15.736","0.005","90","","90","","90","","1359.9","1.3","100","1","100","1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.25","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0522","0.0393","","0.0966","0.0912","","","","1.069","1.124","1.124","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116344","12.0551","0.0006","7.2825","0.0006","16.0779","0.0007","90","","90","","90","","1411.5","0.15","298","1","298","1","","","","","","","","5","F m m m","-F 2 2","69","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.125","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0593","0.0382","","0.1032","0.0914","","","","1.087","1.116","1.116","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116345","12.015","0.002","7.226","0.002","15.766","0.003","90","","90","","90","","1368.8","0.5","139","1","139","1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.25","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.051","0.0334","","","0.0822","0.0859","","","","","","0.997","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116346","12.0551","0.0012","7.2846","0.0012","16.0766","0.0014","90","","90","","90","","1411.8","0.3","298","1","293","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.125","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0435","0.0301","","","0.0773","0.0827","","","","","","1.075","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116347","12.0338","0.0011","7.2535","0.001","15.9377","0.0013","90","","90","","90","","1391.2","0.3","223","1","223","1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C6 H16 N10 Ni O6 -","- C24 H64 N40 Ni4 O24 -","4","0.25","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0416","0.0313","","","0.0858","0.0895","","","","","","1.12","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116348","12.006","0.002","7.215","0.002","15.809","0.003","90","","90","","90","","1369.4","0.5","148","2","148","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C12 H32 N20 Ni2 O12 -","- C24 H64 N40 Ni4 O24 -","2","0.125","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","","0.71073","MoKα","","0.0784","0.0434","","","0.0952","0.102","","","","","","1.033","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116349","12.0323","0.0015","7.2266","0.0012","15.661","0.006","90","","90","","90","","1361.8","0.6","13","3","13","3","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H16 N10 Ni O6 -","- C5 H14 N7 Ni0.25 O5 -","- C20 H56 N28 Ni O20 -","4","0.25","","Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young","Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State","Journal of the American Chemical Society","1999","121","","2808","2819","10.1021/ja983247t","","neutron","","neutron","","","0.069","","","0.045","","","","","","","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116350","21.119","0.003","12.021","0.004","12.901","0.003","90","","94","","90","1","3267.2","1.4","296.2","","296.2","","","","","","","","","4","C 1 c 1","C -2yc","9","N-Fused","","","- C44 H27 Br N4 -","- C44 H27 Br N4 -","- C176 H108 Br4 N16 -","4","1","","Hiroyuki Furuta; Tomoya Ishizuka; Atsuhiro Osuka; Takuji Ogawa","""N-Fused Porphyrin"" from N-Confused Porphyrin","Journal of the American Chemical Society","1999","121","","2945","2946","10.1021/ja9902672","","","0.7107","MoKα","","0.0652","0.065","","0.04","0","0.04","","","1.689","","","1.69","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116351","31.019","0.012","7.1857","0.0012","8.103","0.003","90","","96.038","0.017","90","","1796.1","1","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C14 H24 K2 Mn3 Mo2 N14 O12 -","- C14 K2 Mn3 Mo2 N14 O12 -","- C28 K4 Mn6 Mo4 N28 O24 -","2","0.5","","Joulia Larionova; Olivier Kahn; Stéphane Gohlen; Lahcène Ouahab; Rodolphe Clérac","Structure, Ferromagnetic Ordering, Anisotropy, and Spin Reorientation for the Two-Dimensional Cyano-Bridged Bimetallic Compound K2Mn3(H2O)6[Mo(CN)7]2.6H2O","Journal of the American Chemical Society","1999","121","","3349","3356","10.1021/ja9832717","","","0.71073","MoKα","","0.1489","0.0573","","","0.1218","0.1419","","","","","","1.116","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116352","14.756","0.0004","14.756","0.0004","14.756","0.0004","90","","90","","90","","3212.96","0.15","293","2","293","2","","","","","","","pure_elements","3","F d -3 m :2","-F 4vw 2vw 3","227","clathrate_II_type","","","- Cs Na2 Si17 -","- Cs Na2 Si17 -","- Cs8 Na16 Si136 -","8","0.0416667","","Svilen Bobev; Slavi C. Sevov","Synthesis and Characterization of Stable Stoichiometric Clathrates of Silicon and Germanium: Cs8Na16Si136 and Cs8Na16Ge136","Journal of the American Chemical Society","1999","121","","3795","3796","10.1021/ja9844175","","","0.71073","MoKα","","0.0231","0.0201","","0.0462","0.0453","","","","1.203","1.235","1.235","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116353","15.4805","0.0006","15.4805","0.0006","15.4805","0.0006","90","","90","","90","","3709.8","0.2","293","2","293","2","","","","","","","pure_elements","3","F d -3 m :2","-F 4vw 2vw 3","227","clathrate_II_type","","","- Cs Ge17 Na2 -","- Cs Ge17 Na2 -","- Cs8 Ge136 Na16 -","8","0.0416667","","Svilen Bobev; Slavi C. Sevov","Synthesis and Characterization of Stable Stoichiometric Clathrates of Silicon and Germanium: Cs8Na16Si136 and Cs8Na16Ge136","Journal of the American Chemical Society","1999","121","","3795","3796","10.1021/ja9844175","","","0.71073","MoKα","","0.0924","0.0431","","0.0981","0.083","","","","1.033","1.113","1.113","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116354","14.738","0.002","14.738","0.002","14.738","0.002","90","","90","","90","","3201.2","0.8","293","2","293","2","","","","","","","pure_elements","3","F d -3 m :2","-F 4vw 2vw 3","227","clathrate_II_type","","","- Cs Na2 Si17 -","- Cs Na2 Si17 -","- Cs8 Na16 Si136 -","8","0.0416667","","Svilen Bobev; Slavi C. Sevov","Synthesis and Characterization of Stable Stoichiometric Clathrates of Silicon and Germanium: Cs8Na16Si136 and Cs8Na16Ge136","Journal of the American Chemical Society","1999","121","","3795","3796","10.1021/ja9844175","","","0.71073","MoKα","","0.031","0.0207","","0.0501","0.0455","","","","1.142","1.152","1.152","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116355","14.726","0.001","14.726","0.001","14.726","0.001","90","","90","","90","","3193.4","0.4","293","2","293","2","","","","","","","pure_elements","3","F d -3 m :2","-F 4vw 2vw 3","227","clathrate_II_type","","","- Cs Na2 Si17 -","- Cs Na2 Si17 -","- Cs8 Na16 Si136 -","8","0.0416667","","Svilen Bobev; Slavi C. Sevov","Synthesis and Characterization of Stable Stoichiometric Clathrates of Silicon and Germanium: Cs8Na16Si136 and Cs8Na16Ge136","Journal of the American Chemical Society","1999","121","","3795","3796","10.1021/ja9844175","","","0.71073","MoKα","","0.0297","0.0221","","0.0447","0.0422","","","","1.103","1.123","1.123","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116356","14.701","0.002","14.701","0.002","14.701","0.002","90","","90","","90","","3177.2","0.7","293","2","293","2","","","","","","","pure_elements","3","F d -3 m :2","-F 4vw 2vw 3","227","clathrate_II_type","","","- Cs Na2 Si17 -","- Cs Na2 Si17 -","- Cs8 Na16 Si136 -","8","0.0416667","","Svilen Bobev; Slavi C. Sevov","Synthesis and Characterization of Stable Stoichiometric Clathrates of Silicon and Germanium: Cs8Na16Si136 and Cs8Na16Ge136","Journal of the American Chemical Society","1999","121","","3795","3796","10.1021/ja9844175","","","0.71073","MoKα","","0.0182","0.0159","","0.0457","0.045","","","","1.122","1.111","1.111","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116357","8.03","0.01","8.162","0.006","11.375","0.008","90.02","0.07","91.78","0.08","89.98","0.1","745.2","1.2","243.2","","243.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 O2 Sn -","- C8 H24 O4 Sn2 -","- C32 H96 O16 Sn8 -","4","1","","Jun-Chul Choi; Toshiyasu Sakakura; Takeshi Sako","Reaction of Dialkyltin Methoxide with Carbon Dioxide Relevant to the Mechanism of Catalytic Carbonate Synthesis","Journal of the American Chemical Society","1999","121","","3793","3794","10.1021/ja9900499","","","0.7107","MoKα","","0.0512","0.0512","","","0.079","0.079","","","","","","1.86","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116358","8.16","0.003","8.724","0.002","6.641","0.002","92.77","0.02","110.46","0.03","93.01","0.02","441.2","0.2","243.2","","243.2","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H12 O4 Sn -","- C10 H24 O8 Sn2 -","- C20 H48 O16 Sn4 -","2","1","","Jun-Chul Choi; Toshiyasu Sakakura; Takeshi Sako","Reaction of Dialkyltin Methoxide with Carbon Dioxide Relevant to the Mechanism of Catalytic Carbonate Synthesis","Journal of the American Chemical Society","1999","121","","3793","3794","10.1021/ja9900499","","","0.7107","MoKα","","0.0512","0.0512","","","0.0447","0.0447","","","","","","1.655","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116359","21.3252","0.0012","9.4245","0.0003","20.5573","0.0012","90","","99.542","0.005","90","","4074.4","0.4","150","0.1","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H56 N2 O6 -","- C46 H56 N2 O6 -","- C184 H224 N8 O24 -","4","0.5","","Wen-wei Huang; Huda Henry-Riyad; Thomas T. Tidwell","Reactions of the ""Stable"" Nitroxyl Radical TEMPO with Ketenes: Formation of a Unique Peroxidic Source of Aminyl Radicals","Journal of the American Chemical Society","1999","121","","3939","3943","10.1021/ja982944i","","","0.71073","MoKα","","0.1093","0.0558","","","0.1328","0.1485","","","","","","1.035","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116360","9.3238","0.0004","11.4506","0.0004","34.2187","0.0013","90","","90","","90","","3653.3","0.2","150","0.1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O2 Si2 -","- C17 H24 O2 Si2 -","- C136 H192 O16 Si16 -","8","1","","Wen-wei Huang; Huda Henry-Riyad; Thomas T. Tidwell","Reactions of the ""Stable"" Nitroxyl Radical TEMPO with Ketenes: Formation of a Unique Peroxidic Source of Aminyl Radicals","Journal of the American Chemical Society","1999","121","","3939","3943","10.1021/ja982944i","","","0.71073","MoKα","","0.0669","0.0434","","","0.1078","0.117","","","","","","1.045","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116361","11.872","0.002","13.192","0.003","14.305","0.003","84.19","0.03","69.72","0.03","69.85","0.03","1972.5","0.9","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","Fe(OEP)(1-MeIm)(CO)","","- C44 H57 Fe N6 O -","- C44 H57 Fe N6 O -","- C88 H114 Fe2 N12 O2 -","2","1","","Renzo Salzmann; Michael T. McMahon; Nathalie Godbout; Lori K. Sanders; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Crystallographic and Density Functional Theory Investigation of Fe-CO and Fe-CO Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3818","3828","10.1021/ja9832818","","","0.71073","MoKα","","0.1227","0.0594","","0.1673","0.1283","","","","1.025","1.152","1.152","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116362","10.4568","0.0002","12.9806","0.0001","15.9683","0.0002","80.695","0.001","76.982","0.001","72.018","0.001","1998.65","0.05","293","2","198","2","","","","","","","","6","P -1","-P 1","2","","Ru(OEP)(CO)(1-MeIm)","","- C42 H52 Cl2 N6 O Ru -","- C42 H50.86 Cl2 N6 O Ru -","- C84 H101.72 Cl4 N12 O2 Ru2 -","2","1","","Renzo Salzmann; Michael T. McMahon; Nathalie Godbout; Lori K. Sanders; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Crystallographic and Density Functional Theory Investigation of Fe-CO and Fe-CO Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3818","3828","10.1021/ja9832818","","","0.71073","MoKα","","0.0837","0.0593","","0.1433","0.1216","","","","1.142","1.096","1.096","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116363","10.3677","0.0003","12.9871","0.0004","15.9564","0.0005","80.635","0.001","76.731","0.001","72.219","0.001","1981.25","0.11","293","2","198","2","","","","","","","","6","P -1","-P 1","2","","Os(OEP)(CO)(1-MeIm)","","- C42 H52 Cl2 N6 O Os -","- C42 H52 Cl2 N6 O Os -","- C84 H104 Cl4 N12 O2 Os2 -","2","1","","Renzo Salzmann; Michael T. McMahon; Nathalie Godbout; Lori K. Sanders; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Crystallographic and Density Functional Theory Investigation of Fe-CO and Fe-CO Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3818","3828","10.1021/ja9832818","","","0.71073","MoKα","","0.1","0.0653","","0.1449","0.1228","","","","1.147","1.122","1.122","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116364","10.9981","0.0007","13.2076","0.0008","17.165","0.0011","73.86","","78.05","0.001","79.564","0.001","2322.8","0.3","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","Fe(TPP)(iPrNC)(1-MeIm)","","- C54.5 H47 Fe N7 -","- C54.5 H47 Fe N7 -","- C109 H94 Fe2 N14 -","2","1","","Renzo Salzmann; Michael T. McMahon; Nathalie Godbout; Lori K. Sanders; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Crystallographic and Density Functional Theory Investigation of Fe-CO and Fe-CO Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3818","3828","10.1021/ja9832818","","","0.71073","MoKα","","0.1137","0.0663","","0.1988","0.1596","","","","1.078","1.149","1.149","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116365","11.904","0.0011","13.2592","0.0012","16.4523","0.0015","87.525","0.002","70.489","0.002","70.556","0.002","2301.3","0.4","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","Fe-TPP-PhNO-py","","- C58.5 H42 Fe N6 O -","- C58.5 H42 Fe N6 O -","- C117 H84 Fe2 N12 O2 -","2","1","","Nathalie Godbout; Lori K. Sanders; Renzo Salzmann; Robert H. Havlin; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Mössbauer, Crystallographic, and Density Functional Theory Investigation of Fe-O2 and Fe-O2 Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3829","3844","10.1021/ja9832820","","","0.71073","MoKα","","0.1873","0.063","","0.1009","0.0801","","","","0.939","1.217","1.217","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116366","38.823","0.002","12.3148","0.0008","21.4172","0.0013","90","","90","","90","","10239.5","1.1","198","2","198","2","","","","","","","","5","I b a 2","I 2 -2c","45","","Fe(TPP)(NODMA)(py)","","- C64 H51 Fe N7 O -","- C64 H51 Fe N7 O -","- C512 H408 Fe8 N56 O8 -","8","1","","Nathalie Godbout; Lori K. Sanders; Renzo Salzmann; Robert H. Havlin; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Mössbauer, Crystallographic, and Density Functional Theory Investigation of Fe-O2 and Fe-O2 Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3829","3844","10.1021/ja9832820","","","0.71073","MoKα","","0.1429","0.0624","","0.1458","0.127","","","","1.043","1.3","1.3","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116367","10.779","0.002","17.829","0.003","22.728","0.004","103.22","0.004","93.811","0.004","97.839","0.004","4190.7","1.3","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","TPP-Fe-MeIm-PhNO","","- C54 H39 Fe N7 O -","- C53.997 H38.9975 Fe N6.9995 O0.9995 -","- C215.988 H155.99 Fe4 N27.998 O3.998 -","4","2","","Nathalie Godbout; Lori K. Sanders; Renzo Salzmann; Robert H. Havlin; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Mössbauer, Crystallographic, and Density Functional Theory Investigation of Fe-O2 and Fe-O2 Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3829","3844","10.1021/ja9832820","","","0.71073","MoKα","","0.2395","0.0957","","0.2095","0.1728","","","","1.178","1.738","1.738","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116368","13.6795","0.0001","13.929","0.0003","23.132","0.0006","72.413","0.001","73.548","0.001","84.64","0.002","4029.42","0.14","293","2","198","2","","","","","","","","5","P -1","-P 1","2","","Fe(OEP)(PhNO)(1-MeIm)","","- C46 H55 Fe N7 O -","- C46 H55 Fe N7 O -","- C184 H220 Fe4 N28 O4 -","4","2","","Nathalie Godbout; Lori K. Sanders; Renzo Salzmann; Robert H. Havlin; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Mössbauer, Crystallographic, and Density Functional Theory Investigation of Fe-O2 and Fe-O2 Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3829","3844","10.1021/ja9832820","","","0.71073","MoKα","","0.1316","0.0591","","0.1726","0.135","","","","0.936","1.094","1.094","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116369","10.4844","0.0006","10.6084","0.0007","14.0904","0.0009","79.758","0.001","89.398","0.001","80.254","0.001","1519.63","0.16","293","2","198","2","","","","","","","","5","P -1","-P 1","2","","Co(OEP)(NO)","","- C36 H44 Co N5 O -","- C36 H44 Co N5 O -","- C72 H88 Co2 N10 O2 -","2","1","","Nathalie Godbout; Lori K. Sanders; Renzo Salzmann; Robert H. Havlin; Mark Wojdelski; Eric Oldfield","Solid-State NMR, Mössbauer, Crystallographic, and Density Functional Theory Investigation of Fe-O2 and Fe-O2 Analogue Metalloporphyrins and Metalloproteins","Journal of the American Chemical Society","1999","121","","3829","3844","10.1021/ja9832820","","","0.71073","MoKα","","0.0577","0.0394","","0.0915","0.082","","","","1.033","1.072","1.072","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116370","16.24","0.004","6.2157","0.0012","10.289","0.002","90","","99.23","0.02","90","","1025.2","0.4","223","2","223","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","Bicubyl","Cubylcubane","","- C16 H14 -","- C16 H14 -","- C64 H56 -","4","0.5","","Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard","Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1","Journal of the American Chemical Society","1999","121","17","4111","4123","10.1021/ja983441f","","","0.71073","MoKα","","0.0675","0.0447","","0.1199","0.1046","","","","1.036","1.089","1.089","","","","","has coordinates","209506","2020-10-21","18:00:00",""
"4116371","8.9775","0.0003","8.9775","0.0003","15.3644","0.001","90","","90","","120","","1072.4","0.09","294","2","294","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- C16 H12 I2 -","- C16 H12 I2 -","- C48 H36 I6 -","3","0.0833333","","Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard","Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1","Journal of the American Chemical Society","1999","121","17","4111","4123","10.1021/ja983441f","","","0.71073","MoKα","","0.0313","0.0265","","0.0655","0.0631","","","","1.166","1.215","1.215","","","","","has coordinates","209506","2020-10-21","18:00:00",""
"4116372","5.5066","0.0008","5.939","0.0015","12.165","0.002","88.964","0.015","76.982","0.014","66.04","0.02","353.01","0.13","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C22 H18 -","- C22 H18 -","- C22 H18 -","1","0.5","","Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard","Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1","Journal of the American Chemical Society","1999","121","17","4111","4123","10.1021/ja983441f","","","1.54178","CuKα","","0.0791","0.0467","","0.1369","0.1099","","","","1.046","1.047","1.047","","","","","has coordinates","209506","2020-10-21","18:00:00",""
"4116373","9.9531","0.0009","10.4357","0.0011","14.493","0.0015","89.126","0.007","89.068","0.007","62.874","0.004","1339.5","0.2","294","2","294","2","","","","","","","","2","P -1","-P 1","2","","(p-biphenyl)cubane","","- C20 H16 -","- C20 H16 -","- C80 H64 -","4","2","","Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard","Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1","Journal of the American Chemical Society","1999","121","17","4111","4123","10.1021/ja983441f","","","0.71073","MoKα","","0.0902","0.0477","","0.1392","0.1073","","","","1.028","1.115","1.115","","","","","has coordinates","209506","2020-10-21","18:00:00",""
"4116374","5.889","0.004","34.22","0.011","7.69","0.003","90","","107.52","0.04","90","","1477.8","1.3","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Phenylbicubane","1-Phenyl-p-[2]cubyl","","- C22 H18 -","- C22 H18 -","- C88 H72 -","4","1","","Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard","Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1","Journal of the American Chemical Society","1999","121","17","4111","4123","10.1021/ja983441f","","","1.54178","CuKα","","0.1432","0.0771","","0.2674","0.1913","","","","1.049","1.165","1.165","","","","","has coordinates","209506","2020-10-21","18:00:00",""
"4116375","10.258","0.002","6.067","0.0015","62.852","0.017","90","","90","","90","","3911.6","1.6","223","2","223","2","","","","","","","synthesis at U. of Chicago","2","P n a 21","P 2c -2n","33","Phenyltercubyl","","","- C30 H24 -","- C30 H24 -","- C240 H192 -","8","2","","Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard","Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1","Journal of the American Chemical Society","1999","121","17","4111","4123","10.1021/ja983441f","","","1.54178","CuKα","","0.1793","0.09","","0.3269","0.2133","","","","1.05","1.229","1.229","","","","","has coordinates","209506","2020-10-21","18:00:00",""
"4116376","24.0738","0.0002","24.0738","0.0002","68.5828","0.0005","90","","90","","90","","39747","0.5","170","2","170","2","","","","","","","synthetic","5","I 41/a :2","-I 4ad","88","","","","- C186 H234 Ga4 N30 O42 -","- C197 H163 Ga4 N20 O32 -","- C1576 H1304 Ga32 N160 O256 -","8","0.5","","Thomas Beissel; Ryan E. Powers; Tatjana N. Parac; Kenneth N. Raymond","Dynamic Isomerization of a Supramolecular Tetrahedral M4L6 Cluster1","Journal of the American Chemical Society","1999","121","","4200","4206","10.1021/ja984046s","","","0.71073","MoKα","","0.1234","0.0888","","0.2523","0.2205","","","","1.033","1.085","1.085","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116377","7.564","0.002","30.261","0.009","6.268","0.003","90","0","90","0","90","0","1434.7","0.9","298","","","","","","","","","","Local laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","","Naoki Yoshikawa; Yoichi M. A. Yamada; Jagattaran Das; Hiroaki Sasai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Aldol Reaction","Journal of the American Chemical Society","1999","121","","4168","4178","10.1021/ja990031y","","","0.7107","MoKα","","","0.066","","","0.067","","","","","5.227","5.227","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116378","15.489","0.007","11.983","0.007","18.102","0.013","90","","91.23","0.05","90","","3359","3","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 Cu F6 N4 P -","- C34 H36 Cu F6 N4 P -","- C136 H144 Cu4 F24 N16 P4 -","4","2","","Mark T. Miller; Peter K. Gantzel; Timothy B. Karpishin","A Highly Emissive Heteroleptic Copper(I) Bis(phenanthroline) Complex: [Cu(dbp)(dmp)]+ (dbp = 2,9-Di-tert-butyl-1,10-phenanthroline; dmp = 2,9-Dimethyl-1,10-phenanthroline)","Journal of the American Chemical Society","1999","121","","4292","4293","10.1021/ja9901415","","","0.71073","MoKα","","0.0877","0.0648","","0.1901","0.1662","","","","1.044","1.042","1.042","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116379","14.395","0.003","14.974","0.003","32.363","0.007","84.75","0.03","77.78","0.03","85.59","0.03","6777","3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","[( 3-(Bis(diphenylmethylphosphine)palldium)-tetrabismuth][Dibromo- diphenyl bismuth]","","- C128 H124 Bi6 Br4 P8 Pd4 -","- C128 H124 Bi6 Br4 P8 Pd4 -","- C256 H248 Bi12 Br8 P16 Pd8 -","2","1","","Joseph L. Stark; Brian Harms; Ilse Guzman-Jimenez; Kenton H. Whitmire; Régis Gautier; Jean-François Halet; Jean-Yves Saillard","Different Ways To Distort a Tetracapped Tetrahedron on Route to Forming an E4M4 Cubane: The Case of [E4(Pd(PPh2Me)2)4][Ph2EX2]2 (E = Sb, X = Cl; E = Bi, X = Br)","Journal of the American Chemical Society","1999","121","","4409","4418","10.1021/ja982902u","","","0.71073","MoKa","","0.1249","0.055","","0.1658","0.1358","","","","1.039","1.121","1.121","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116380","14.176","0.003","14.77","0.003","32.465","0.007","85.08","0.03","77.96","0.03","85.23","0.03","6609","3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","[tetrakis[u3-(bis(diphenylmethylphposphine)palladium)] tetraantimony] bis[diphenyldidichloroantimony]","","- C130 H128 Cl4 O0.5 P8 Pd4 Sb6 -","- C130 H128 Cl4 O0.5 P8 Pd4 Sb6 -","- C260 H256 Cl8 O P16 Pd8 Sb12 -","2","1","","Joseph L. Stark; Brian Harms; Ilse Guzman-Jimenez; Kenton H. Whitmire; Régis Gautier; Jean-François Halet; Jean-Yves Saillard","Different Ways To Distort a Tetracapped Tetrahedron on Route to Forming an E4M4 Cubane: The Case of [E4(Pd(PPh2Me)2)4][Ph2EX2]2 (E = Sb, X = Cl; E = Bi, X = Br)","Journal of the American Chemical Society","1999","121","","4409","4418","10.1021/ja982902u","","","0.71073","MoKα","","0.0502","0.0386","","0.1334","0.1206","","","","1.108","1.133","1.133","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116381","5.399","0.002","6.347","0.003","11.518","0.006","75.73","0.05","80.48","0.04","81.94","0.03","375.2","0.3","120","","293","2","","","","","","","","4","P -1","-P 1","2","","μ-Dioxodichloroniumhexafluoroantimonate","","- Cl2 F6 O2 Sb -","- Cl2 F6 O2 Sb -","- Cl4 F12 O4 Sb2 -","2","1","","Thomas Drews; Wolfram Koch; Konrad Seppelt","The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11-","Journal of the American Chemical Society","1999","121","","4379","4384","10.1021/ja984474y","","","0.71069","MoKα","","0.0841","0.0507","","","0.0837","0.0936","","","","","","1.053","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116382","9.284","0.002","10.625","0.002","11.333","0.002","90","","90.04","0.01","90","","1117.9","0.4","120","","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","μ-Dioxodichloroniumenneafluorodiantimonate","","- Cl2 F11 O2 Sb2 -","- Cl2 F11 O2 Sb2 -","- Cl8 F44 O8 Sb8 -","4","1","","Thomas Drews; Wolfram Koch; Konrad Seppelt","The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11-","Journal of the American Chemical Society","1999","121","","4379","4384","10.1021/ja984474y","","","0.71069","MoKα","","0.0259","0.0241","","","0.0636","0.0644","","","","","","1.186","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116383","10.553","0.002","11.361","0.003","12.081","0.003","90","","90","","90","","1448.4","0.6","130","","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","Trichloroniumhexafluoroantimonate","","- Cl3 F6 Sb -","- Cl3 F6 Sb -","- Cl24 F48 Sb8 -","8","","","Thomas Drews; Wolfram Koch; Konrad Seppelt","The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11-","Journal of the American Chemical Society","1999","121","","4379","4384","10.1021/ja984474y","","","0.71069","MoKα","","0.022","0.0189","","","0.0461","0.0489","","","","","","1.013","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116384","7.653","0.001","12.623","0.002","12.207","0.001","90","","104.2","0.01","90","","1143.2","0.3","130","","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Trichloroniumenneafluorodiantimonate","","- Cl3 F11 Sb2 -","- Cl3 F11 Sb2 -","- Cl12 F44 Sb8 -","4","1","","Thomas Drews; Wolfram Koch; Konrad Seppelt","The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11-","Journal of the American Chemical Society","1999","121","","4379","4384","10.1021/ja984474y","","","0.71069","MoKα","","0.037","0.0291","","","0.0752","0.0801","","","","","","1.088","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116385","11.213","0.002","11.898","0.001","11.308","0.002","90","","90.45","0.01","90","","1508.6","0.4","130","","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Trichloroniumhexadecafluorotriantimonate","","- Cl1.5 F8 Sb1.5 -","- Cl1.5 F8 Sb1.5 -","- Cl12 F64 Sb12 -","8","1","","Thomas Drews; Wolfram Koch; Konrad Seppelt","The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11-","Journal of the American Chemical Society","1999","121","","4379","4384","10.1021/ja984474y","","","0.71069","MoKα","","0.0381","0.0206","","","0.0466","0.0539","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116386","7.045","0.002","11.001","0.003","9.299","0.004","90","","94.42","0.04","90","","718.5","0.4","130","","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Trichloroniumhexafluoroarsenate","","- As Cl3 F6 -","- As Cl3 F6 -","- As4 Cl12 F24 -","4","1","","Thomas Drews; Wolfram Koch; Konrad Seppelt","The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11-","Journal of the American Chemical Society","1999","121","","4379","4384","10.1021/ja984474y","","","0.71069","MoKα","","0.0301","0.0255","","","0.0611","0.0634","","","","","","1.118","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116387","10.7505","0.0006","11.1008","0.0007","12.4859","0.0008","90","","90","","90","","1490.06","0.16","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 Ru -","- C15 H22 N2 Ru -","- C60 H88 N8 Ru4 -","4","1","","Jayani R. Perera; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Ruthenium Complexes Bearing η5-Pyrazolato Ligands","Journal of the American Chemical Society","1999","121","","4536","4537","10.1021/ja990109a","","","0.71073","MoKα","","0.0436","0.03","","0.0545","0.0509","","","","0.998","1.018","1.018","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116388","19.089","0.001","18.708","0.001","23.708","0.001","90","","90.7","0.01","90","","8465.9","0.7","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C139 H142 Cl22 Mo8 N16 O32 -","- C139 H120 Cl22.0002 Mo8 N16 O32 -","- C278 H240 Cl44.0004 Mo16 N32 O64 -","2","0.5","","F. Albert Cotton; Lee M. Daniels; Chun Lin; Carlos A. Murillo","Square and Triangular Arrays Based on Mo24+ and Rh24+ Units","Journal of the American Chemical Society","1999","121","","4538","4539","10.1021/ja9901563","","","0.71073","MoKα","","0.0999","0.0754","","0.1943","0.1723","","","","1.09","","","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116389","16.951","0.003","17.07","0.01","20.935","0.008","103.84","0.02","104.85","0.04","105.92","0.03","5309","4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C180 H180 Fe4 Mo8 N16 O32 -","- C179.68 H152 Fe4 Mo8 N16 O32 -","- C179.68 H152 Fe4 Mo8 N16 O32 -","1","0.5","","F. Albert Cotton; Lee M. Daniels; Chun Lin; Carlos A. Murillo","Square and Triangular Arrays Based on Mo24+ and Rh24+ Units","Journal of the American Chemical Society","1999","121","","4538","4539","10.1021/ja9901563","","","0.71073","MoKα","","0.1225","0.0846","","0.2508","0.2056","","","","1.077","","","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116390","19.072","0.0001","19.072","0.0001","12.5658","0.0002","90","","90","","120","","3958.34","0.07","293","2","193","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","keggin","","","- Al K5 O57 W12 -","- Al K5 O57 W12 -","- Al3 K15 O171 W36 -","3","0.25","","Ira A. Weinstock; Jennifer J. Cowan; Elena M. G. Barbuzzi; Huadong Zeng; Craig L. Hill","Equilibria between α and β Isomers of Keggin Heteropolytungstates","Journal of the American Chemical Society","1999","121","","4608","4617","10.1021/ja982908j","","","0.71073","MoKα","","0.0503","0.0342","","0.0745","","0.07","","","1.016","","","1.048","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116391","7.858","0.001","13.323","0.002","9.335","0.001","90","","102.95","0.02","90","","952.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 F6 Fe N10 P -","- C10 H24 F6 Fe N10 P -","- C20 H48 F12 Fe2 N20 P2 -","2","0.5","","Karsten Meyer; Eckhard Bill; Bernd Mienert; Thomas Weyhermüller; Karl Wieghardt","Photolysis of cis- and trans-[FeIII(cyclam)(N3)2]+ Complexes: Spectroscopic Characterization of a Nitridoiron(V) Species","Journal of the American Chemical Society","1999","121","","4859","4876","10.1021/ja983454t","","","0.71073","MoKα","","0.0631","0.0333","","0.0995","0.0858","","","","1.067","1.099","1.099","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116392","13.641","0.002","8.851","0.001","15.266","0.003","90","","99.53","0.02","90","","1817.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Cl Fe N10 O4 -","- C10 H24 Cl Fe N10 O4 -","- C40 H96 Cl4 Fe4 N40 O16 -","4","1","","Karsten Meyer; Eckhard Bill; Bernd Mienert; Thomas Weyhermüller; Karl Wieghardt","Photolysis of cis- and trans-[FeIII(cyclam)(N3)2]+ Complexes: Spectroscopic Characterization of a Nitridoiron(V) Species","Journal of the American Chemical Society","1999","121","","4859","4876","10.1021/ja983454t","","","0.71073","MoKα","","0.0535","0.0396","","0.0939","0.0849","","","","1.063","1.091","1.091","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116393","15.385","0.003","8.027","0.002","12.471","0.003","90","","96.34","0.02","90","","1530.7","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H40 N2 O9 -","- C28 H40 N2 O9 -","- C56 H80 N4 O18 -","2","1","","Hoeon Kim; Lothar Esser; M. Bilayet Hossain; Di Xia; Chang-An Yu; Josep Rizo; Dick van der Helm; Johann Deisenhofer","Structure of Antimycin A1, a Specific Electron Transfer Inhibitor of Ubiquinol-Cytochrome c Oxidoreductase","Journal of the American Chemical Society","1999","121","","4902","4903","10.1021/ja990190h","","","1.54178","CuKα","","0.1211","0.0821","","0.2325","0.1983","","","","1.066","1.181","1.181","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116394","7.408","0.001","11.378","0.001","15.606","0.001","73.7","0.01","78.49","0.01","84.74","0.01","1236.3","0.2","293","2","293","2","","","","","","","selfmade","4","P -1","-P 1","2","Tris(pentafluorophenyl)alane","","","- C27 H9 Al F15 -","- C27 H9 Al F15 -","- C54 H18 Al2 F30 -","2","1","","Gregory S. Hair; Alan H. Cowley; Richard A. Jones; Brian G. McBurnett; Andreas Voigt","Arene Complexes of Al(C6F5)3. Relationship to a Déjà Vu Silylium Ion","Journal of the American Chemical Society","1999","121","","4922","4923","10.1021/ja9904336","","","0.71073","MoKα","","0.2372","0.0844","","0.2164","0.1495","","","","1.017","1.222","1.222","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116395","7.427","0.002","11.612","0.003","13.822","0.004","92.08","0.02","102.61","0.02","101.95","0.02","1133.9","0.6","293","2","293","2","","","","","","","selfmade","4","P -1","-P 1","2","Tris(pentafluorophenyl)alane","","","- C25 H8 Al F15 -","- C50 H16 Al2 F30 -","- C50 H16 Al2 F30 -","1","0.5","","Gregory S. Hair; Alan H. Cowley; Richard A. Jones; Brian G. McBurnett; Andreas Voigt","Arene Complexes of Al(C6F5)3. Relationship to a Déjà Vu Silylium Ion","Journal of the American Chemical Society","1999","121","","4922","4923","10.1021/ja9904336","","","0.71073","MoKα","","0.0453","0.0347","","0.123","0.1076","","","","1.023","1.04","1.04","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116396","7.4857","0.0003","9.9727","0.0003","17.7714","0.0006","90","","90","","90","","1326.68","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cr O3 -","- C14 H14 Cr O3 -","- C56 H56 Cr4 O12 -","4","1","","Malisa V. Troutman; Daniel H. Appella; Stephen L. Buchwald","Asymmetric Hydrogenation of Unfunctionalized Tetrasubstituted Olefins with a Cationic Zirconocene Catalyst","Journal of the American Chemical Society","1999","121","","4916","4917","10.1021/ja990535w","","","0.71073","MoKα","","0.069","0.0548","","0.1395","0.1277","","","","1.133","1.121","1.121","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116397","19.2566","0.0002","16.3846","0.0002","11.2328","0.0001","90","","98.349","0.008","90","","3506.52","0.1","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 F18 Ir N6 P3 -","- C30 H22 F18 Ir N6 P3 -","- C120 H88 F72 Ir4 N24 P12 -","4","1","","Jean-Paul Collin; Isabelle M. Dixon; Jean-Pierre Sauvage; J. A. Gareth Williams; Francesco Barigelletti; Lucia Flamigni","Synthesis and Photophysical Properties of Iridium(III) Bisterpyridine and Its Homologues: a Family of Complexes with a Long-Lived Excited State","Journal of the American Chemical Society","1999","121","","5009","5016","10.1021/ja9833669","","","0.71073","Mo-Kα","","0.044","0.034","","0.058","","0.052","","","1.24","","","1.115","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116398","18.398","0.004","6.232","0.003","19.902","0.003","90","","109.88","0.01","90","","2145.9","1.2","296.2","","296.2","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 -","- C32 H20 -","- C128 H80 -","4","1","","Munakata, Megumu; Wu, Liang Ping; Ning, Gui Ling; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Maeno, Naoto","Construction of Metal Sandwich Systems Derived from Assembly of Silver(I) Complexes with Polycyclic Aromatic Compounds","Journal of the American Chemical Society","1999","121","21","4968","4976","10.1021/ja983950h","","","0.7107","MoKα","","0.2269","0.0571","","","0.0401","0.0548","","","","","","1.147","","","","has coordinates","219221","2020-10-21","18:00:00",""
"4116399","9.837","0.005","11.874","0.006","11.658","0.002","90","","98.35","0.03","90","","1347.3","1","296.2","","296.2","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 -","- C22 H12 -","- C88 H48 -","4","1","","Munakata, Megumu; Wu, Liang Ping; Ning, Gui Ling; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Maeno, Naoto","Construction of Metal Sandwich Systems Derived from Assembly of Silver(I) Complexes with Polycyclic Aromatic Compounds","Journal of the American Chemical Society","1999","121","21","4968","4976","10.1021/ja983950h","","","0.7107","MoKα","","0.0576","0.0576","","","0.0472","0.0471","","","","","","2.31","","","","has coordinates","219221","2020-10-21","18:00:00",""
"4116400","15.789","0.002","6.188","0.004","16.816","0.002","90","","111.115","0.007","90","","1532.7","1","296.2","","296.2","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H20 Ag3 Cl3 O12 -","- C32 H20 Ag3 Cl3 O12 -","- C64 H40 Ag6 Cl6 O24 -","2","0.5","","Munakata, Megumu; Wu, Liang Ping; Ning, Gui Ling; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Maeno, Naoto","Construction of Metal Sandwich Systems Derived from Assembly of Silver(I) Complexes with Polycyclic Aromatic Compounds","Journal of the American Chemical Society","1999","121","21","4968","4976","10.1021/ja983950h","","","0.7107","MoKα","","0.0302","0.0302","","","0.0404","0.0403","","","","","","1.515","","","","has coordinates","219221","2020-10-21","18:00:00",""
"4116401","29.538","0.003","10.882","0.001","24.084","0.002","90","","110.275","0.006","90","","7261.7","1.2","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C95 H56 Ag4 Cl4 O16 -","- C95 H48 Ag4 Cl4 O16 -","- C380 H192 Ag16 Cl16 O64 -","4","1","","Munakata, Megumu; Wu, Liang Ping; Ning, Gui Ling; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Maeno, Naoto","Construction of Metal Sandwich Systems Derived from Assembly of Silver(I) Complexes with Polycyclic Aromatic Compounds","Journal of the American Chemical Society","1999","121","21","4968","4976","10.1021/ja983950h","","","0.7107","MoKα","","0.0512","0.0512","","","0.0601","0.0601","","","","","","1.776","","","","has coordinates","219221","2020-10-21","18:00:00",""
"4116402","7.934","0.001","17.932","0.001","10.6046","0.0009","90","","92.097","0.009","90","","1507.7","0.2","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Ag Cl O4 -","- C16 H16 Ag Cl O4 -","- C64 H64 Ag4 Cl4 O16 -","4","1","","Munakata, Megumu; Wu, Liang Ping; Ning, Gui Ling; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Maeno, Naoto","Construction of Metal Sandwich Systems Derived from Assembly of Silver(I) Complexes with Polycyclic Aromatic Compounds","Journal of the American Chemical Society","1999","121","21","4968","4976","10.1021/ja983950h","","","0.7107","MoKα","","0.0464","0.0464","","","0.0551","0.0551","","","","","","1.569","","","","has coordinates","219221","2020-10-21","18:00:00",""
"4116403","13.29","0.004","31.599","0.005","7.774","0.003","90","","92.46","0.03","90","","3261.7","1.7","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H24 Ag2 Cl2 O8 -","- C42 H18 Ag2 Cl2 O8 -","- C168 H72 Ag8 Cl8 O32 -","4","1","","Munakata, Megumu; Wu, Liang Ping; Ning, Gui Ling; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Maeno, Naoto","Construction of Metal Sandwich Systems Derived from Assembly of Silver(I) Complexes with Polycyclic Aromatic Compounds","Journal of the American Chemical Society","1999","121","21","4968","4976","10.1021/ja983950h","","","0.7107","MoKα","","0.0561","0.0561","","","0.0644","0.0644","","","","","","1.728","","","","has coordinates","219221","2020-10-21","18:00:00",""
"4116404","28.3689","0.0014","12.4003","0.0006","17.3397","0.0009","90","","96.306","0.001","90","","6062.9","0.5","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H15 F20 N5 P10 Rh2 -","- C5 H15 F20 N5 P10 Rh2 -","- C40 H120 F160 N40 P80 Rh16 -","8","1","","Alan F. Heyduk; Ann M. Macintosh; Daniel G. Nocera","Four-Electron Photochemistry of Dirhodium Fluorophosphine Compounds","Journal of the American Chemical Society","1999","121","","5023","5032","10.1021/ja9902017","","","0.71073","MoKα","","0.0649","0.043","","0.1011","0.0715","","","","1.124","1.139","1.139","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116405","9.289","0.002","13.159","0.003","16.937","0.003","82.23","0.02","76.306","0.015","84.89","0.02","1989.5","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C22.5 H24 Br2 Cl3 F12 N3 P7 Rh2 -","- C22.5 H24 Br2 Cl3 F12 N3 P7 Rh2 -","- C45 H48 Br4 Cl6 F24 N6 P14 Rh4 -","2","1","","Alan F. Heyduk; Ann M. Macintosh; Daniel G. Nocera","Four-Electron Photochemistry of Dirhodium Fluorophosphine Compounds","Journal of the American Chemical Society","1999","121","","5023","5032","10.1021/ja9902017","","","0.71073","MoKα","","0.0516","0.0464","","0.1347","0.1183","","","","1.073","1.062","1.062","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116406","9.711","0.013","12.304","0.009","13.715","0.009","64.01","0.06","85.28","0.09","71.29","0.09","1392","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 I N O4 S3 -","- C26 H32 I N O4 S3 -","- C52 H64 I2 N2 O8 S6 -","2","1","","M. V. Alfimov; S. P. Gromov; Yu. V. Fedorov; O. A. Fedorova; A. I. Vedernikov; A. V. Churakov; L. G. Kuz'mina; J. A. K. Howard; S. Bossmann; A. Braun; M. Woerner; D. F. Sears; J. Saltiel","Synthesis, Structure, and Ion Selective Complexation of Trans and Cis Isomers of Photochromic Dithia-18-crown-6 Ethers","Journal of the American Chemical Society","1999","121","","4992","5000","10.1021/ja990370r","","","0.71073","MoKα","","0.0787","0.056","","0.1986","0.1779","","","","1.075","1.106","1.106","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116407","29.217","0.005","15.996","0.005","18.244","0.005","90","","94.965","0.01","90","","8494","4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H132 Fe4 O18 -","- C72 H110.4 Fe4 O18 -","- C288 H441.6 Fe16 O72 -","4","0.5","","A. L. Barra; A. Caneschi; A. Cornia; F. Fabrizi de Biani; D. Gatteschi; C. Sangregorio; R. Sessoli; L. Sorace","Single-Molecule Magnet Behavior of a Tetranuclear Iron(III) Complex. The Origin of Slow Magnetic Relaxation in Iron(III) Clusters","Journal of the American Chemical Society","1999","121","","5302","5310","10.1021/ja9818755","","","1.54052","CuKα","","0.141","0.075","","","0.2091","0.2509","","","","","","1.084","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116408","17.5143","0.0002","18.7538","0.0001","20.7147","0.0002","90","","111.945","0.001","90","","6310.95","0.11","173","2","173","2","","","","","","","Dr. H.-F. Hsu / Prof. L. Que, Jr.","6","C 1 2/c 1","-C 2yc","15","98089b","","","- C57 H80 Cl3 Fe2 N8 O17 -","- C56 H76 Cl3 Fe2 N8 O16 -","- C224 H304 Cl12 Fe8 N32 O64 -","4","0.5","","Hua-Fen Hsu; Yanhong Dong; Lijin Shu; Victor G. Young; Lawrence Que","Crystal Structure of a Synthetic High-Valent Complex with an Fe2(μ-O)2 Diamond Core. Implications for the Core Structures of Methane Monooxygenase Intermediate Q and Ribonucleotide Reductase Intermediate X","Journal of the American Chemical Society","1999","121","","5230","5237","10.1021/ja983666q","","","0.71073","MoKα","","0.0783","0.0603","","0.1568","0.1465","","","","1.04","1.106","1.106","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116409","9.3223","0.0005","19.1403","0.0009","21.5806","0.0012","90","","98.795","0.003","90","","3805.4","0.3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 Cl Fe N7 O5 -","- C40 H50 Cl Fe N7 O5 -","- C160 H200 Cl4 Fe4 N28 O20 -","4","1","","Mary K. Ellison; W. Robert Scheidt","Synthesis, Molecular Structures, and Properties of Six-Coordinate [Fe(OEP)(L)(NO)]+ Derivatives: Elusive Nitrosyl Ferric Porphyrins","Journal of the American Chemical Society","1999","121","","5210","5219","10.1021/ja984308q","","","0.71073","MoKα","","0.0614","0.0504","","","0.1126","0.1192","","","","","","1.038","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116410","10.5062","0.0005","13.705","0.003","14.5932","0.0014","80.136","0.007","82.344","0.007","77.504","0.01","2011","0.5","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50.5 Cl1.5 Fe N7 O5 -","- C42 H50.5 Cl1.5 Fe N7 O5 -","- C84 H101 Cl3 Fe2 N14 O10 -","2","1","","Mary K. Ellison; W. Robert Scheidt","Synthesis, Molecular Structures, and Properties of Six-Coordinate [Fe(OEP)(L)(NO)]+ Derivatives: Elusive Nitrosyl Ferric Porphyrins","Journal of the American Chemical Society","1999","121","","5210","5219","10.1021/ja984308q","","","0.71073","MoKα","","0.0828","0.0693","","","0.1922","0.2048","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116411","10.1175","0.0004","13.1764","0.0009","29.975","0.003","90","","96.43","0.005","90","","3970.9","0.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H50 Cl Fe N7 O5 -","- C43 H50 Cl Fe N7 O5 -","- C172 H200 Cl4 Fe4 N28 O20 -","4","1","","Mary K. Ellison; W. Robert Scheidt","Synthesis, Molecular Structures, and Properties of Six-Coordinate [Fe(OEP)(L)(NO)]+ Derivatives: Elusive Nitrosyl Ferric Porphyrins","Journal of the American Chemical Society","1999","121","","5210","5219","10.1021/ja984308q","","","0.71073","MoKα","","0.0912","0.0806","","","0.1943","0.202","","","","","","1.081","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116412","12.748","0.002","22.8417","0.0016","14.8903","0.001","90","","99.677","0.005","90","","4274.2","0.8","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86.8 H101 Cl3.8 Fe2 N12 O10 -","- C86.836 H91.03 Cl3.806 Fe2 N12 O10 -","- C173.672 H182.06 Cl7.612 Fe4 N24 O20 -","2","0.5","","Mary K. Ellison; W. Robert Scheidt","Synthesis, Molecular Structures, and Properties of Six-Coordinate [Fe(OEP)(L)(NO)]+ Derivatives: Elusive Nitrosyl Ferric Porphyrins","Journal of the American Chemical Society","1999","121","","5210","5219","10.1021/ja984308q","","","0.71073","MoKα","","0.0848","0.0655","","","0.1607","0.1761","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116413","10.4276","0.0012","10.597","0.002","18.353","0.002","83.267","0.016","81.528","0.007","76.541","0.01","1943.5","0.5","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 Cl Fe N7 O5.4 -","- C40 H48 Cl Fe N7 O5.39 -","- C80 H96 Cl2 Fe2 N14 O10.78 -","2","1","","Mary K. Ellison; W. Robert Scheidt","Synthesis, Molecular Structures, and Properties of Six-Coordinate [Fe(OEP)(L)(NO)]+ Derivatives: Elusive Nitrosyl Ferric Porphyrins","Journal of the American Chemical Society","1999","121","","5210","5219","10.1021/ja984308q","","","0.71073","MoKα","","0.1717","0.1056","","","0.2584","0.3065","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116414","28.074","0.005","11.287","0.001","23.654","0.003","90","0.01","117.1","0.01","90","0.01","6672.4","1.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H74 N9 O12 -","- C43 H75 N9 O13 -","- C172 H300 N36 O52 -","4","1","","M. Dhanasekaran; F. Fabiola; V. Pattabhi; S. Durani","A Rationally Designed Turn-Helix Peptide","Journal of the American Chemical Society","1999","121","","5575","5576","10.1021/ja984237v","","","1.5418","CuKa","","0.1793","0.0988","","0.4641","0.2496","","","","1.136","1.076","1.076","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116415","17.742","0.002","18.815","0.002","21.564","0.002","112.265","0.007","103.62","0.007","97.633","0.007","6274","1.2","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C126 H120 Ag F18 N10 O11 P3 Ru -","- C126 H108 Ag F18 N10 O9.5 P3 Ru -","- C252 H216 Ag2 F36 N20 O19 P6 Ru2 -","2","1","","Diego J. Cárdenas; Jean-Paul Collin; Pablo Gaviña; Jean-Pierre Sauvage; André De Cian; Jean Fischer; Nicola Armaroli; Lucia Flamigni; Veronica Vicinelli; Vincenzo Balzani","Synthesis, X-ray Structure, and Electrochemical and Excited-State Properties of Multicomponent Complexes Made of a [Ru(Tpy)2]2+ Unit Covalently Linked to a [2]-Catenate Moiety. Controlling the Energy-Transfer Direction by Changing the Catenate Metal Ion","Journal of the American Chemical Society","1999","121","","5481","5488","10.1021/ja990036v","","","0.71073","Mo-Kα","","0.166","0.068","","0.253","0.097","","","","5.532","1.8","1.8","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116416","17.174","0.005","24.252","0.007","13.223","0.004","92.9","0.02","95","0.02","91.86","0.02","5476","3","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C103 H104 Cu F18 N12 O12 P3 Ru -","- C103 H84 Cu F18 N12 O12 P3 Ru -","- C206 H168 Cu2 F36 N24 O24 P6 Ru2 -","2","1","","Diego J. Cárdenas; Jean-Paul Collin; Pablo Gaviña; Jean-Pierre Sauvage; André De Cian; Jean Fischer; Nicola Armaroli; Lucia Flamigni; Veronica Vicinelli; Vincenzo Balzani","Synthesis, X-ray Structure, and Electrochemical and Excited-State Properties of Multicomponent Complexes Made of a [Ru(Tpy)2]2+ Unit Covalently Linked to a [2]-Catenate Moiety. Controlling the Energy-Transfer Direction by Changing the Catenate Metal Ion","Journal of the American Chemical Society","1999","121","","5481","5488","10.1021/ja990036v","","","1.54184","Cu-Kα","","0.122","0.084","","0.147","","0.121","","","1.883","","","1.533","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116417","18.0798","0.0009","12.1004","0.0006","14.5384","0.0007","90","","110.213","0.001","90","","2984.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N4 O4 -","- C32 H44 N4 O4 -","- C128 H176 N16 O16 -","4","1","","Stephen L. De Wall; Eric S. Meadows; Leonard J. Barbour; George W. Gokel","Solution- and Solid-State Evidence for Alkali Metal Cation-π Interactions with Indole, the Side Chain of Tryptophan","Journal of the American Chemical Society","1999","121","","5613","5614","10.1021/ja9907921","","","0.7107","MoKα","","0.0648","0.0458","","","0.1034","0.1139","","","","","","1.033","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116418","17.3841","0.0009","12.1395","0.0006","15.4777","0.0008","90","","91.854","0.001","90","","3264.6","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 I N4 Na O4 -","- C32 H44 I N4 Na O4 -","- C128 H176 I4 N16 Na4 O16 -","4","0.5","","Stephen L. De Wall; Eric S. Meadows; Leonard J. Barbour; George W. Gokel","Solution- and Solid-State Evidence for Alkali Metal Cation-π Interactions with Indole, the Side Chain of Tryptophan","Journal of the American Chemical Society","1999","121","","5613","5614","10.1021/ja9907921","","","0.71073","MoKα","","0.0332","0.0277","","","0.0649","0.0669","","","","","","1.041","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116419","17.237","0.001","12.0426","0.0007","15.951","0.0009","90","","90.261","0.001","90","","3311","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 I K N4 O4 -","- C32 H44 I K N4 O4 -","- C128 H176 I4 K4 N16 O16 -","4","0.5","","Stephen L. De Wall; Eric S. Meadows; Leonard J. Barbour; George W. Gokel","Solution- and Solid-State Evidence for Alkali Metal Cation-π Interactions with Indole, the Side Chain of Tryptophan","Journal of the American Chemical Society","1999","121","","5613","5614","10.1021/ja9907921","","","0.71073","MoKα","","0.0381","0.0291","","","0.0682","0.0711","","","","","","1.034","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116420","10.9698","0.0008","13.0812","0.0009","11.9828","0.0009","90","","95.062","0.001","90","","1712.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 F6 K N4 O4 P -","- C32 H44 F6 K N4 O4 P -","- C64 H88 F12 K2 N8 O8 P2 -","2","0.5","","Stephen L. De Wall; Eric S. Meadows; Leonard J. Barbour; George W. Gokel","Solution- and Solid-State Evidence for Alkali Metal Cation-π Interactions with Indole, the Side Chain of Tryptophan","Journal of the American Chemical Society","1999","121","","5613","5614","10.1021/ja9907921","","","0.71073","MoKα","","0.049","0.0325","","","0.0842","0.0901","","","","","","1.049","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116421","9.715","0.007","15.052","0.01","22.819","0.015","90","","90","","90","","3337","4","298","","298","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","dipyridiniomethane dodecamethyl-closo-decaborate(2-) acetonitrile","","","- C25 H51 B12 N3 -","- C25 H48 B12 N3 -","- C100 H192 B48 N12 -","4","1","","Toralf Peymann; Carolyn B. Knobler; M. Frederick Hawthorne","An Icosahedral Array of Methyl Groups Supported by an Aromatic Borane Scaffold: The [closo-B12(CH3)12]2- Ion","Journal of the American Chemical Society","1999","121","","5601","5602","10.1021/ja990884q","","","1.5418","CuKα","","0.1351","0.0735","","0.2316","0.1846","","","","1.042","1.128","1.128","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116422","19.913","0.001","19.913","0.001","9.269","0.001","90","0.001","90","0.001","90","0.001","3675.4","0.5","298","","","","","","","","","","Local laboratory","4","I 4","I 4","79","","","","- C19 H25 N4 P -","- C19 H25 N4 P -","- C152 H200 N32 P8 -","8","1","","Jean Michel Brunel; Olivier Legrand; Sébastien Reymond; Gérard Buono","First Iminodiazaphospholidines with a Stereogenic Phosphorus Center. Application to Asymmetric Copper-Catalyzed Cyclopropanation","Journal of the American Chemical Society","1999","121","","5807","5808","10.1021/ja984295g","","","0.71073","xray","","","0.041","","","0.187","","","","","1.894","1.894","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4116423","12.7068","0.0002","13.0137","0.0002","14.3285","0.0002","70.13","0.001","72.953","0.001","65.408","0.001","1994.07","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Dysprosium N, N', N'', N'''-tetrakis(R)-( )-1,4,7 ,10-tetraazacyclododecane","","- C20 H47 Dy F18 N8 O7.5 P3 -","- C20 H42 Dy F18 N8 O8.5 P3 -","- C40 H84 Dy2 F36 N16 O17 P6 -","2","1","","Silvio Aime; Alessandro Barge; James I. Bruce; Mauro Botta; Judith A. K. Howard; Janet M. Moloney; David Parker; Alvaro S. de Sousa; Mark Woods","NMR, Relaxometric, and Structural Studies of the Hydration and Exchange Dynamics of Cationic Lanthanide Complexes of Macrocyclic Tetraamide Ligands","Journal of the American Chemical Society","1999","121","","5762","5771","10.1021/ja990225d","","","0.71073","MoKα","","0.0271","0.0234","","0.0589","0.0563","","","","1.064","1.06","1.06","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116424","11.018","0.002","20.019","0.004","11.822","0.002","90","","91.3","0.03","90","","2606.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 Cl2 N4 O13 -","- C16 H29 Cl1.99 N4 O12.665 -","- C64 H116 Cl7.96 N16 O50.66 -","4","1","","Silvio Aime; Alessandro Barge; James I. Bruce; Mauro Botta; Judith A. K. Howard; Janet M. Moloney; David Parker; Alvaro S. de Sousa; Mark Woods","NMR, Relaxometric, and Structural Studies of the Hydration and Exchange Dynamics of Cationic Lanthanide Complexes of Macrocyclic Tetraamide Ligands","Journal of the American Chemical Society","1999","121","","5762","5771","10.1021/ja990225d","","","1.54178","CuKα","","0.0888","0.0815","","","0.2293","0.2501","","","","","","1.09","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116425","32.517","0.007","8.723","0.0017","18.638","0.004","90","","106.13","0.03","90","","5078","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H43 N8 O5.5 -","- C20 H43 N8 O5.5 -","- C160 H344 N64 O44 -","8","1","","Silvio Aime; Alessandro Barge; James I. Bruce; Mauro Botta; Judith A. K. Howard; Janet M. Moloney; David Parker; Alvaro S. de Sousa; Mark Woods","NMR, Relaxometric, and Structural Studies of the Hydration and Exchange Dynamics of Cationic Lanthanide Complexes of Macrocyclic Tetraamide Ligands","Journal of the American Chemical Society","1999","121","","5762","5771","10.1021/ja990225d","","","1.54184","CuKα","","0.0952","0.0765","","","0.1956","0.2179","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116426","6.919","0.001","15.315","0.003","23.727","0.004","90","","90","","90","","2514.2","0.7","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tricarbonylchloro(way)technetium(I)","","- C23 H26 Cl N4 O4 Tc -","- C23 H26 Cl N4 O4 Tc -","- C92 H104 Cl4 N16 O16 Tc4 -","4","1","","Roger Alberto; Roger Schibli; August P. Schubiger; Ulrich Abram; H.-J. Pietzsch; B. Johannsen","First Application of fac-[99mTc(OH2)3(CO)3]+ in Bioorganometallic Chemistry: Design, Structure, and in Vitro Affinity of a 5-HT1A Receptor Ligand Labeled with 99mTc","Journal of the American Chemical Society","1999","121","","6076","6077","10.1021/ja990765a","","","1.54184","CuKα","","0.0448","0.0333","","","0.0759","0.0799","","","","","","1.031","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116427","16.072","0.001","7.538","0.001","32.914","0.002","90","","103.349","0.003","90","","3879.8","0.6","220","","220","","","","","","","","by syntheses","2","P 1 21/a 1","-P 2yab","14","","","","- C38 H30 -","- C38 H30 -","- C228 H180 -","6","1.5","","Paul F. van Hutten; Jurjen Wildeman; Auke Meetsma; Georges Hadziioannou","Molecular Packing in Unsubstituted Semiconducting Phenylenevinylene Oligomer and Polymer","Journal of the American Chemical Society","1999","121","","5910","5918","10.1021/ja990934r","","","0.71073","MoKα","","0.238","0.0917","","","0.2114","0.2632","","","","","","0.882","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116428","10.0768","0.0004","11.0129","0.0005","28.318","0.0012","90","","91.302","0.001","90","","3141.8","0.2","173","2","173","2","","","","","","","Dr. S. Lange / Prof. L. Que","6","P 1 21/n 1","-P 2yn","14","98198a","","","- C28 H28 Cl2 Fe N6 O8 -","- C28 H28 Cl2 Fe N6 O8 -","- C112 H112 Cl8 Fe4 N24 O32 -","4","1","","Steven J. Lange; Hiroyuki Miyake; Lawrence Que","Evidence for a Nonheme Fe(IV)O Species in the Intramolecular Hydroxylation of a Phenyl Moiety","Journal of the American Chemical Society","1999","121","","6330","6331","10.1021/ja990233u","","","0.71073","MoKα","","0.1184","0.0653","","0.1155","0.1002","","","","1.08","1.196","1.196","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116429","9.8427","0.0007","13.982","0.0009","15.5076","0.001","64.763","0.001","77.158","0.001","88.792","0.001","1875.6","0.2","173","2","173","2","","","","","","","S. Lange / Prof. L. Que","6","P -1","-P 1","2","99074a","","","- C48 H41 B Fe N4 O1.5 -","- C48 H41 B Fe N4 O1.5 -","- C96 H82 B2 Fe2 N8 O3 -","2","1","","Steven J. Lange; Hiroyuki Miyake; Lawrence Que","Evidence for a Nonheme Fe(IV)O Species in the Intramolecular Hydroxylation of a Phenyl Moiety","Journal of the American Chemical Society","1999","121","","6330","6331","10.1021/ja990233u","","","0.71073","MoKα","","0.0497","0.0389","","0.1048","0.0993","","","","1.015","1.074","1.074","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116430","8.607","0.003","9.955","0.004","11.415","0.004","90","","111.09","0.04","90","","912.6","0.6","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H25 B F4 O6 Pt -","- C12 H25 B F4 O6 Pt -","- C24 H50 B2 F8 O12 Pt2 -","2","1","","Henrik Junicke; Clemens Bruhn; Ralph Kluge; Anthony S. Serianni; Dirk Steinborn","Novel Platinum(IV)-Carbohydrate Complexes: Metal Ion Coordination Behavior of Monosaccharides in Organic Solvents","Journal of the American Chemical Society","1999","121","","6232","6241","10.1021/ja9902726","","","0.71073","MoKα","","0.0582","0.056","","0.1371","0.1353","","","","1.091","1.109","1.109","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116431","9.851","0.002","11.141","0.004","20.418","0.006","90","","90","","90","","2240.9","1.1","220","2","220","2","","","","","","","see experimental","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H31 B F4 O7 Pt -","- C15 H31 B F4 O7 Pt -","- C60 H124 B4 F16 O28 Pt4 -","4","1","","Henrik Junicke; Clemens Bruhn; Ralph Kluge; Anthony S. Serianni; Dirk Steinborn","Novel Platinum(IV)-Carbohydrate Complexes: Metal Ion Coordination Behavior of Monosaccharides in Organic Solvents","Journal of the American Chemical Society","1999","121","","6232","6241","10.1021/ja9902726","","","0.71073","MoKα","","0.0873","0.0581","","0.1436","0.128","","","","0.955","1.021","1.021","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116432","10.096","0.001","11.27","0.001","20.127","0.001","81.47","0.01","75.94","0.01","73.4","0.01","2121.2","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","4,4'-bis[[3'',5''-bis[3''',5'''-bis(benzyloxy)]benzyloxy]phenylethyl]-2,2'-b ipyridine","","- C110 H96 N2 O12 -","- C110 H96 N2 O12 -","- C110 H96 N2 O12 -","1","0.5","","Fritz Vögtle; Marcus Plevoets; Martin Nieger; Gianluca C. Azzellini; Alberto Credi; Luisa De Cola; Valeria De Marchis; Margherita Venturi; Vincenzo Balzani","Dendrimers with a Photoactive and Redox-Active [Ru(bpy)3]2±Type Core: Photophysical Properties, Electrochemical Behavior, and Excited-State Electron-Transfer Reactions","Journal of the American Chemical Society","1999","121","","6290","6298","10.1021/ja990430t","","","0.71073","MoKα","","0.1133","0.0391","","","0.0708","","","","0.763","1.031","1.031","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116433","8.19","0.0004","13.932","0.001","16.002","0.001","90","","99.271","0.003","90","","1802.03","0.19","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","John L. Wood; Alexandra A. Holubec; Brian M. Stoltz; Matthew M. Weiss; Julie A. Dixon; Brian D. Doan; Mohammed F. Shamji; Jennifer M. Chen; Timothy P. Heffron","Application of Reactive Enols in Synthesis: A Versatile, Efficient, and Stereoselective Construction of the Welwitindolinone Carbon Skeleton","Journal of the American Chemical Society","1999","121","","6326","6327","10.1021/ja991022s","","","0.7107","MoKalpha","","","0.0607","","","0.0594","","","","","2.558","2.558","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116434","10.1123","0.0003","12.437","0.001","15.961","0.001","90","","104.98","0.01","90","","1939.1","0.2","183.2","","183.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","John L. Wood; Alexandra A. Holubec; Brian M. Stoltz; Matthew M. Weiss; Julie A. Dixon; Brian D. Doan; Mohammed F. Shamji; Jennifer M. Chen; Timothy P. Heffron","Application of Reactive Enols in Synthesis: A Versatile, Efficient, and Stereoselective Construction of the Welwitindolinone Carbon Skeleton","Journal of the American Chemical Society","1999","121","","6326","6327","10.1021/ja991022s","","","0.7107","MoKalpha","","","0.0471","","","0.0648","","","","","2.556","2.556","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116435","13.61","0.001","8.1789","0.0004","15.026","0.001","90","","93.319","0.003","90","","1669.81","0.18","183.2","","183.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","John L. Wood; Alexandra A. Holubec; Brian M. Stoltz; Matthew M. Weiss; Julie A. Dixon; Brian D. Doan; Mohammed F. Shamji; Jennifer M. Chen; Timothy P. Heffron","Application of Reactive Enols in Synthesis: A Versatile, Efficient, and Stereoselective Construction of the Welwitindolinone Carbon Skeleton","Journal of the American Chemical Society","1999","121","","6326","6327","10.1021/ja991022s","","","0.7107","MoKalpha","","","0.0664","","","0.0605","","","","","2.063","2.063","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116436","35.29","0.01","8.897","0.009","11.656","0.008","90","","103.03","0.05","90","","3565","5","296.2","","296.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Cl2 N O3 -","- C19 H23 Cl2 N O3 -","- C152 H184 Cl16 N8 O24 -","8","1","","John L. Wood; Alexandra A. Holubec; Brian M. Stoltz; Matthew M. Weiss; Julie A. Dixon; Brian D. Doan; Mohammed F. Shamji; Jennifer M. Chen; Timothy P. Heffron","Application of Reactive Enols in Synthesis: A Versatile, Efficient, and Stereoselective Construction of the Welwitindolinone Carbon Skeleton","Journal of the American Chemical Society","1999","121","","6326","6327","10.1021/ja991022s","","","0.7107","MoKalpha","","","0.0504","","","0.0525","","","","","1.501","1.501","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116437","8.1052","0.0003","9.418","0.0002","13.4027","0.0004","101.22","0.002","107.306","0.002","97.417","0.002","938.82","0.05","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Br N O3 -","- C22 H20 Br N O3 -","- C44 H40 Br2 N2 O6 -","2","1","","John L. Wood; Alexandra A. Holubec; Brian M. Stoltz; Matthew M. Weiss; Julie A. Dixon; Brian D. Doan; Mohammed F. Shamji; Jennifer M. Chen; Timothy P. Heffron","Application of Reactive Enols in Synthesis: A Versatile, Efficient, and Stereoselective Construction of the Welwitindolinone Carbon Skeleton","Journal of the American Chemical Society","1999","121","","6326","6327","10.1021/ja991022s","","","0.7107","MoKalpha","","","0.0349","","","0.0315","","","","","1.571","1.571","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116438","7.282","0.001","16.256","0.001","10.196","0.001","90","","91.46","0.01","90","","1206.6","0.2","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","John L. Wood; Alexandra A. Holubec; Brian M. Stoltz; Matthew M. Weiss; Julie A. Dixon; Brian D. Doan; Mohammed F. Shamji; Jennifer M. Chen; Timothy P. Heffron","Application of Reactive Enols in Synthesis: A Versatile, Efficient, and Stereoselective Construction of the Welwitindolinone Carbon Skeleton","Journal of the American Chemical Society","1999","121","","6326","6327","10.1021/ja991022s","","","0.7107","MoKalpha","","","0.0445","","","0.0683","","","","","4.051","4.051","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116439","5.395","0.002","4.887","0.002","4.986","0.002","90","","90","","90","","131.46","0.09","200","","200","","","","","","","","","3","P m n 21","P 2ac -2","31","","borane ammonia","","- B H6 N -","- B H6 N -","- B2 H12 N2 -","2","0.5","","Wim T. Klooster; Thomas F. Koetzle; Per E. M. Siegbahn; Thomas B. Richardson; Robert H. Crabtree","Study of the N-H...H-B Dihydrogen Bond Including the Crystal Structure of BH3NH3 by Neutron Diffraction","Journal of the American Chemical Society","1999","121","","6337","6343","10.1021/ja9825332","","neutron","1.0462","neutron","","0.2833","0.1664","","0.1602","0.1093","","","","1.0467","1.0158","1.0158","","","","","has coordinates","282086","2023-03-28","13:50:54",""
"4116440","20.8935","0.0018","19.52","0.0018","25.113","0.002","90","","90.331","0.009","90","","10241.9","1.5","180","2","180","2","","","","","","","synthetic route","6","I 1 2/a 1","-I 2ya","15","","","","- C52 H92 I2 P2 Ru S -","- C52 H92 P2 Ru Si2 -","- C416 H736 P16 Ru8 Si16 -","8","1","","Fabien Delpech; Sylviane Sabo-Etienne; Jean-Claude Daran; Bruno Chaudret; Khansaa Hussein; Colin J. Marsden; Jean-Claude Barthelat","Ruthenium Complexes Containing Two Ru-(η2-Si-H) Bonds: Synthesis, Spectroscopic Properties, Structural Data, Theoretical Calculations, and Reactivity Studies","Journal of the American Chemical Society","1999","121","","6668","6682","10.1021/ja990199j","","","0.71073","MoKα","","","0.0257","","","0.0313","","","","","0.9675","0.9675","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116441","12.7187","0.0016","19.1092","0.0016","18.068","0.002","90","","90.594","0.013","90","","4391.1","0.8","160","2","160","2","","","","","","","synthetic route","6","C 1 c 1","C -2yc","9","","","","- C42 H86 I2 P2 Ru S -","- C42 H86 P2 Ru Si2 -","- C168 H344 P8 Ru4 Si8 -","4","1","","Fabien Delpech; Sylviane Sabo-Etienne; Jean-Claude Daran; Bruno Chaudret; Khansaa Hussein; Colin J. Marsden; Jean-Claude Barthelat","Ruthenium Complexes Containing Two Ru-(η2-Si-H) Bonds: Synthesis, Spectroscopic Properties, Structural Data, Theoretical Calculations, and Reactivity Studies","Journal of the American Chemical Society","1999","121","","6668","6682","10.1021/ja990199j","","","0.71073","MoKα","","","0.022","","","0.0247","","","","","1.0293","1.0293","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116442","9.907","0.001","10.9279","0.0012","24.785","0.003","99.037","0.011","99.503","0.011","100.28","0.011","2555.4","0.5","160","2","180","2","","","","","","","synthetic route","6","P -1","-P 1","2","","","","- C54 H80 I2 P2 Ru S -","- C54 H80 P2 Ru Si2 -","- C108 H160 P4 Ru2 Si4 -","2","1","","Fabien Delpech; Sylviane Sabo-Etienne; Jean-Claude Daran; Bruno Chaudret; Khansaa Hussein; Colin J. Marsden; Jean-Claude Barthelat","Ruthenium Complexes Containing Two Ru-(η2-Si-H) Bonds: Synthesis, Spectroscopic Properties, Structural Data, Theoretical Calculations, and Reactivity Studies","Journal of the American Chemical Society","1999","121","28","6668","6682","10.1021/ja990199j","","","0.71073","MoKα","","","0.0318","","","0.0355","","","","","","","1.0781","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116443","18.072","0.003","10.7807","0.0011","20.773","0.003","90","","106.855","0.018","90","","3873.3","1","150","2","150","2","","","","","","","synthetic route","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 I2 P2 Ru S -","- C42 H50 P2 Ru Si2 -","- C168 H200 P8 Ru4 Si8 -","4","1","","Fabien Delpech; Sylviane Sabo-Etienne; Jean-Claude Daran; Bruno Chaudret; Khansaa Hussein; Colin J. Marsden; Jean-Claude Barthelat","Ruthenium Complexes Containing Two Ru-(η2-Si-H) Bonds: Synthesis, Spectroscopic Properties, Structural Data, Theoretical Calculations, and Reactivity Studies","Journal of the American Chemical Society","1999","121","28","6668","6682","10.1021/ja990199j","","","0.71073","MoKα","","","0.0268","","","0.0278","","","","","1.0645","1.0645","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116444","20.272","0.002","19.862","0.003","24.91","0.003","90","","93.943","0.014","90","","10006","2","180","2","180","2","","","","","","","synthetic route","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H93 O2.5 P2 Ru Si3 -","- C44 H93 O2.5 P2 Ru Si3 -","- C352 H744 O20 P16 Ru8 Si24 -","8","1","","Fabien Delpech; Sylviane Sabo-Etienne; Jean-Claude Daran; Bruno Chaudret; Khansaa Hussein; Colin J. Marsden; Jean-Claude Barthelat","Ruthenium Complexes Containing Two Ru-(η2-Si-H) Bonds: Synthesis, Spectroscopic Properties, Structural Data, Theoretical Calculations, and Reactivity Studies","Journal of the American Chemical Society","1999","121","28","6668","6682","10.1021/ja990199j","","","0.71073","MoKα","","","0.0326","","","0.04","","","","","1.0951","1.0951","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116445","7.2873","0.0017","13.992","0.002","10.872","0.004","90","","92.45","0.02","90","","1107.5","0.5","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 B Cl2 F4 N2 S4 -","- C4 B Cl2 F4 N2 S4 -","- C16 B4 Cl8 F16 N8 S16 -","4","1","","T. M. Barclay; L. Beer; A. W. Cordes; R. C. Haddon; M. I. Itkis; R. T. Oakley; K. E. Preuss; R. W. Reed","trans-4,4'-Dichloro-1,1',2,2',3,3'-tetrathiadiazafulvalene (DC-TAF) and Its 1:1 Radical Cation Salts [DC-TAF][X]: Preparation and Solid-State Properties of BF4-, ClO4-, and FSO3- Derivatives","Journal of the American Chemical Society","1999","121","","6657","6663","10.1021/ja990933z","","","0.7107","MolybdenumKα","","","0.039","","","0.046","","","","","1.01","1.01","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116446","7.3774","0.0011","14.1757","0.0018","10.942","0.002","90","","91.732","0.015","90","","1143.8","0.3","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 Cl2 F N2 O2 S5 -","- C4 Cl2 F2 N2 O2 S5 -","- C16 Cl8 F8 N8 O8 S20 -","4","1","","T. M. Barclay; L. Beer; A. W. Cordes; R. C. Haddon; M. I. Itkis; R. T. Oakley; K. E. Preuss; R. W. Reed","trans-4,4'-Dichloro-1,1',2,2',3,3'-tetrathiadiazafulvalene (DC-TAF) and Its 1:1 Radical Cation Salts [DC-TAF][X]: Preparation and Solid-State Properties of BF4-, ClO4-, and FSO3- Derivatives","Journal of the American Chemical Society","1999","121","","6657","6663","10.1021/ja990933z","","","0.7107","MolybdenumKα","","","0.047","","","0.054","","","","","1.15","1.15","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116447","7.3684","0.0014","14.0572","0.0019","10.942","0.002","90","","91.937","0.017","90","","1132.7","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 Cl3 N2 O4 S4 -","- C4 Cl3 N2 O4 S4 -","- C16 Cl12 N8 O16 S16 -","4","1","","T. M. Barclay; L. Beer; A. W. Cordes; R. C. Haddon; M. I. Itkis; R. T. Oakley; K. E. Preuss; R. W. Reed","trans-4,4'-Dichloro-1,1',2,2',3,3'-tetrathiadiazafulvalene (DC-TAF) and Its 1:1 Radical Cation Salts [DC-TAF][X]: Preparation and Solid-State Properties of BF4-, ClO4-, and FSO3- Derivatives","Journal of the American Chemical Society","1999","121","","6657","6663","10.1021/ja990933z","","","0.7093","MolybdenumKα","","","0.044","","0.049","","","","","","1.02","1.02","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116448","7.9364","0.0005","7.9364","0.0005","14.4339","0.001","90","","90","","120","","787.34","0.09","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","dititanium hexaniobium dodecaoxide","","- Nb6 O12 Ti2 -","- Nb6 O12 Ti2.16 -","- Nb18 O36 Ti6.48 -","3","0.166667","","Ekaterina V. Anokhina; Michael W. Essig; Cynthia S. Day; Abdessadek Lachgar","Ti2Nb6O12, a Novel Niobium Oxide Cluster Compound with ""Chevrel Phase"" Intercluster Connectivity Type","Journal of the American Chemical Society","1999","121","","6827","6833","10.1021/ja990759e","","","0.71073","MoKα","","0.0219","0.018","","","0.0342","0.0349","","","","","","1.116","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116449","17.0767","0.0003","9.1342","0.0003","16.3666","0.0005","90","","101.481","0.0016","90","","2501.81","0.12","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H34 N8 Ni O8 -","- C21 H28 N8 Ni O8 -","- C84 H112 N32 Ni4 O32 -","4","1","","Ann J. Stemmler; Cynthia J. Burrows","The Sal-XH Motif for Metal-Mediated Oxidative DNA-Peptide Cross-Linking","Journal of the American Chemical Society","1999","121","","6956","6957","10.1021/ja991164m","","","0.71069","MoKα","","0.0339","0.0334","","","0.0969","0.0974","","","","","","1.089","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116450","23.966","0.006","9.581","0.002","19.106","0.004","90","","104.763","0.005","90","","4242.3","1.6","213","2","213","2","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(2,2'-dipyridylamidinato)dichromium(II)","","- C42 H36 Cl4 Cr2 N12 -","- C42 H36 Cl4 Cr2 N12 -","- C168 H144 Cl16 Cr8 N48 -","4","0.5","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou","Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes","Journal of the American Chemical Society","1999","121","","6856","6861","10.1021/ja9912675","","","0.71073","MoKα","","0.0564","0.051","","0.1319","0.1255","","","","1.038","1.047","1.047","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116451","27.2495","0.0008","16.4863","0.0013","29.413","0.002","90","","110.416","0.005","90","","12383.6","1.4","213","2","213","2","","","","","","","synthesized","5","I 1 2/a 1","-I 2ya","15","","Tetrakis(2,6-diphenyliminopiperidinato)dichromium(II)","","- C72 H72 Cr2 N12 O -","- C72 H72 Cr2 N12 O -","- C576 H576 Cr16 N96 O8 -","8","1","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou","Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes","Journal of the American Chemical Society","1999","121","","6856","6861","10.1021/ja9912675","","","0.71073","MoKα","","0.0751","0.0583","","0.1555","0.1325","","","","1.094","1.109","1.109","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116452","14.198","0.002","14.638","0.007","18.118","0.012","108.97","0.02","109.53","0.04","95.27","0.03","3270","3","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Tetrakis(2,6-diphenyliminopiperidinato)dichromium(II)","","- C76 H74 Cr2 N12 O2 -","- C76 H64 Cr2 N12 O2 -","- C152 H128 Cr4 N24 O4 -","2","1","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou","Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes","Journal of the American Chemical Society","1999","121","","6856","6861","10.1021/ja9912675","","","0.71073","MoKα","","0.0716","0.0598","","0.1588","0.1467","","","","1.057","1.065","1.065","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116453","27.197","0.003","16.467","0.008","29.511","0.01","90","","110.43","0.02","90","","12385","8","213","2","213","2","","","","","","","synthesized","5","I 1 2/a 1","-I 2ya","15","","Tetrakis(2,6-diphenyliminopiperidinato)dichromium(II)","","- C69 H66 Cl2 Cr2 N12 -","- C69.017 H64 Cl2.034 Cr2 N12 -","- C552.136 H512 Cl16.272 Cr16 N96 -","8","1","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou","Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes","Journal of the American Chemical Society","1999","121","","6856","6861","10.1021/ja9912675","","","0.71073","MoKα","","0.091","0.0704","","0.189","0.1596","","","","1.084","1.095","1.095","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116454","9.8649","0.0007","10.1338","0.0008","20.561","0.003","77.592","0.015","80.5","0.02","81.137","0.01","1964.9","0.4","213","2","213","2","","","","","","","synthesized","4","P -1","-P 1","2","","Tetrakas(2-phenyliminopiperidinato)dichromium(II)","","- C44 H52 Cr2 N8 -","- C44 H52 Cr2 N8 -","- C88 H104 Cr4 N16 -","2","1","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou","Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes","Journal of the American Chemical Society","1999","121","","6856","6861","10.1021/ja9912675","","","0.71073","MoKα","","0.0565","0.0493","","0.1262","0.1171","","","","1.121","1.114","1.114","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116455","18.1","0.004","11.706","0.002","16.595","0.003","90","","102.48","0.03","90","","3433","1.2","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H64 Cr4 N24 -","- C80 H64 Cr4 N24 -","- C160 H128 Cr8 N48 -","2","0.25","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou","Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes","Journal of the American Chemical Society","1999","121","","6856","6861","10.1021/ja9912675","","","0.71073","MoKα","","0.1001","0.0686","","0.156","0.133","","","","1.209","1.231","1.231","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116456","18.009","0.003","5.917","0.001","29.989","0.006","90","","99.23","0.01","90","","3154.2","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C136 H152 N8 O32 -","8","2","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.1777","0.0626","","0.1351","0.1009","","","","1.002","1.234","1.234","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116457","14.448","0.001","8.3839","0.0008","12.563","0.001","90","","112.41","0.01","90","","1406.8","0.2","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.0868","0.0491","","0.1216","0.1048","","","","1.032","1.124","1.124","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116458","6.154","0.004","11.495","0.015","12.322","0.01","96.24","0.09","102.65","0.06","97.01","0.08","835.9","1.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.3303","0.1338","","0.2479","0.202","","","","1.768","2.827","2.827","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116459","12.162","0.002","6.282","0.001","21.198","0.002","90","","90.53","0.01","90","","1619.5","0.4","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.0919","0.0506","","0.1153","0.0958","","","","1.052","1.113","1.113","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116460","11.82","0.001","7.5952","0.0007","36.186","0.005","90","","90","","90","","3248.6","0.6","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C144 H168 N8 O32 -","8","1","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.1213","0.0517","","0.1107","0.0885","","","","1.011","1.152","1.152","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116461","6.34","0.0005","12.796","0.001","9.4006","0.0006","90","","101.502","0.006","90","","747.32","0.1","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C34 H38 N2 O8 -","2","1","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.0512","0.0399","","0.1047","0.0978","","","","1.047","1.067","1.067","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116462","6.1423","0.0004","9.9509","0.0008","13.63","0.001","74.383","0.007","88.256","0.007","73.228","0.006","767.19","0.1","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C34 H38 N2 O8 -","2","1","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.0924","0.0495","","0.1193","0.0996","","","","0.995","1.053","1.053","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116463","3.9424","0.0002","7.2936","0.0004","24.6902","0.0011","90","","94.038","0.003","90","","708.19","0.06","161","2","161","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O5 -","- C7 H8 O5 -","- C28 H32 O20 -","4","1","","Scott Lovell; Paramjeet Subramony; Bart Kahr","Poppy Acid: Synthesis and Crystal Chemistry","Journal of the American Chemical Society","1999","121","","7020","7025","10.1021/ja990402a","","","0.7107","MoKα","","0.0693","0.0534","","","0.1542","0.1688","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116464","15.9821","0.0004","6.3658","0.0001","19.6955","0.0005","90","","90","","90","","2003.8","0.08","161","2","161","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","meconic acid","","","- C7 H10 O10 -","- C7 H10 O10 -","- C56 H80 O80 -","8","1","","Scott Lovell; Paramjeet Subramony; Bart Kahr","Poppy Acid: Synthesis and Crystal Chemistry","Journal of the American Chemical Society","1999","121","","7020","7025","10.1021/ja990402a","","","0.7107","MoKα","","0.0578","0.0473","","","0.1426","0.1579","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116465","12.2591","0.0006","9.8938","0.0005","16.2499","0.0004","90","","95.791","0.0003","90","","1960.88","0.15","161","2","161","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","meconic acid","","","- C7 H10 O10 -","- C7 H10 O10 -","- C56 H80 O80 -","8","1","","Scott Lovell; Paramjeet Subramony; Bart Kahr","Poppy Acid: Synthesis and Crystal Chemistry","Journal of the American Chemical Society","1999","121","","7020","7025","10.1021/ja990402a","","","0.7107","MoKα","","0.0664","0.0451","","","0.1184","0.1278","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116466","10.2025","0.0002","6.7648","0.0002","18.0353","0.0006","90","","102.846","0.002","90","","1213.6","0.06","161","2","161","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Br O6 -","- C11 H11 Br O6 -","- C44 H44 Br4 O24 -","4","1","","Scott Lovell; Paramjeet Subramony; Bart Kahr","Poppy Acid: Synthesis and Crystal Chemistry","Journal of the American Chemical Society","1999","121","","7020","7025","10.1021/ja990402a","","","0.7107","MoKα","","0.07","0.058","","","0.1596","0.1656","","","","","","1.141","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116467","10.3391","0.0002","12.8377","0.0006","14.0874","0.0006","90","","101.049","0.002","90","","1835.16","0.12","161","2","161","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 K O8 -","- C7 H5 K O8 -","- C56 H40 K8 O64 -","8","2","","Scott Lovell; Paramjeet Subramony; Bart Kahr","Poppy Acid: Synthesis and Crystal Chemistry","Journal of the American Chemical Society","1999","121","","7020","7025","10.1021/ja990402a","","","0.7107","MoKα","","0.0747","0.0488","","","0.1325","0.146","","","","","","1.034","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116468","6.554","0.002","16.73","0.004","9.633","0.002","90","","106","0.02","90","","1015.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 K O9 -","- C7 H7 K O9 -","- C28 H28 K4 O36 -","4","1","","Scott Lovell; Paramjeet Subramony; Bart Kahr","Poppy Acid: Synthesis and Crystal Chemistry","Journal of the American Chemical Society","1999","121","","7020","7025","10.1021/ja990402a","","","0.7093","Mo-Kα","","0.0904","0.0439","","","0.1002","0.1348","","","","","","1.117","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116469","14.841","0.008","21.055","0.016","29.308","0.016","90","","90","","90","","9158","10","154","2","154","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C~60~^.^2Co(OEP)^.^CHCl~3~","","","- C133 H89 Cl3 Co2 N8 -","- C133 H89 Cl3 Co2 N8 -","- C532 H356 Cl12 Co8 N32 -","4","1","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","0.71073","MoKα","","0.1299","0.0823","","0.1969","0.1711","","","","1.109","1.212","1.212","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116470","14.833","0.004","20.936","0.005","29.515","0.009","90","","90","","90","","9166","4","156","2","156","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C~60~^.^2Zn(OEP)^.^CHCl~3~","","","- C133 H89 Cl3 N8 Zn2 -","- C133 H89 Cl3 N8 Zn2 -","- C532 H356 Cl12 N32 Zn8 -","4","1","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","0.71073","MoKα","","0.1062","0.0689","","","0.128","0.1483","","","","","","1.15","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116471","14.846","0.003","21.06","0.005","29.249","0.008","90","","90","","90","","9145","4","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Co(OEP)]~2~C~60~O^.^CHCl~3~","","","- C133 H89 Cl3 Co2 N8 O -","- C133 H89 Cl2.994 Co2 N8 O0.727 -","- C532 H356 Cl11.976 Co8 N32 O2.908 -","4","1","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","1.54178","CuKα","","0.1133","0.0689","","0.1844","0.1548","","","","1.063","1.122","1.122","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116472","14.359","0.0002","14.628","0.0002","18.7817","0.0002","89.879","0.001","87.452","0.001","61.097","0.001","3449.32","0.08","156","2","156","2","","","","","","","","5","P -1","-P 1","2","C~70~^.^Co(OEP)^.^CHCl~3~^.^benzene","","","- C113 H50 Cl3 Co N4 -","- C113 H50 Cl3 Co N4 -","- C226 H100 Cl6 Co2 N8 -","2","1","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","0.71073","MoKα","","0.1649","0.1019","","0.3097","0.2549","","","","1.081","1.251","1.251","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116473","14.412","0.002","14.723","0.002","18.882","0.002","89.579","0.011","86.987","0.01","60.562","0.01","3483.6","0.8","130","2","130","2","","","","","","","","5","P -1","-P 1","2","C~70~^.^Ni(OEP)^.^CHCl~3~^.^benzene","","","- C113 H50 Cl3 N4 Ni -","- C113 H50 Cl3 N4 Ni -","- C226 H100 Cl6 N8 Ni2 -","2","1","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","1.54178","CuKα","","0.1645","0.0986","","","0.2464","0.3056","","","","","","1.02","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116474","18.951","0.004","20.784","0.004","15.81","0.003","90","","90","","90","","6227","2","130","2","130","2","","","","","","","","5","C m c m","-C 2c 2","63","C~60~^.^ClFe(OEP)^.^CHCl~3~","","","- C97 H45 Cl4 Fe N4 -","- C97 H48 Cl4 Fe N4 -","- C388 H192 Cl16 Fe4 N16 -","4","0.25","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","1.54178","CuKα","","0.144","0.1258","","","0.3252","0.3435","","","","","","1.052","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116475","24.271","0.005","15.199","0.002","17.27","0.002","90","","108.974","0.011","90","","6024.7","1.7","130","2","130","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","(C~60~OC~60~)^.^2Co(OEP)^.^1.2CHCl~3~^.^0.8benzene","","","- C198 H94 Cl3.6 Co2 N8 O -","- C201.9 H94 Cl3.6 Co2 N8 O -","- C403.8 H188 Cl7.2 Co4 N16 O2 -","2","0.25","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","1.54178","CuKα","","0.2366","0.1508","","","0.3887","0.4554","","","","","","1.439","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116476","14.402","0.006","14.654","0.007","18.836","0.011","90.088","0.01","87.45","0.014","61.38","0.007","3485","3","156","2","156","2","","","","","","","","5","P -1","-P 1","2","C~70~^.^Cu(OEP)^.^CHCl~3~^.^benzene","","","- C113 H50 Cl3 Cu N4 -","- C113 H50 Cl3 Cu N4 -","- C226 H100 Cl6 Cu2 N8 -","2","1","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","0.71073","MoKα","","0.2197","0.1262","","","0.3233","0.3829","","","","","","1.14","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116477","5.723","0.003","9.58","0.006","9.67","0.006","97.79","0.02","104.12","0.02","91.26","0.02","508.6","0.5","293","1","293","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N4 Ni S6 -","- C18 H20 N4 Ni0.5 S10 -","- C18 H20 N4 Ni0.5 S10 -","1","0.5","","Maria Carla Aragoni; Massimiliano Arca; Francesco Demartin; Francesco A. Devillanova; Alessandra Garau; Francesco Isaia; Francesco Lelj; Vito Lippolis; Gaetano Verani","New [M(R,R'timdt)2] Metal-Dithiolenes and Related Compounds (M = Ni, Pd, Pt; R,R'timdt = Monoanion of Disubstituted Imidazolidine-2,4,5-trithiones): An Experimental and Theoretical Investigation","Journal of the American Chemical Society","1999","121","","7098","7107","10.1021/ja990827x","","","0.71073","MoKα","","0.107","0.043","","","0.048","","","","1.076","1.388","1.388","","","","","has coordinates","176338","2020-10-21","18:00:00",""
"4116478","15.419","0.002","15.799","0.002","12.989","0.001","90","0","126.14","0.01","90","0","2555.3","0.6","293","1","293","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N4 S6 -","- C22 H20 N4 S6 -","- C88 H80 N16 S24 -","4","0.5","","Maria Carla Aragoni; Massimiliano Arca; Francesco Demartin; Francesco A. Devillanova; Alessandra Garau; Francesco Isaia; Francesco Lelj; Vito Lippolis; Gaetano Verani","New [M(R,R'timdt)2] Metal-Dithiolenes and Related Compounds (M = Ni, Pd, Pt; R,R'timdt = Monoanion of Disubstituted Imidazolidine-2,4,5-trithiones): An Experimental and Theoretical Investigation","Journal of the American Chemical Society","1999","121","","7098","7107","10.1021/ja990827x","","","0.71073","MoKα","","0.039","0.026","","","0.033","","","","0.864","1.07","1.07","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116479","15.036","0.003","9.582","0.003","26.118","0.008","90","","102.23","0.02","90","","3677.5","1.8","296.2","","296.2","","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C25 H27 Br Cl2 F12 Mn N2 O7 -","- C25 H27 Br Cl2 F12 Mn N2 O7 -","- C100 H108 Br4 Cl8 F48 Mn4 N8 O28 -","4","1","","Fumiyasu Iwahori; Katsuya Inoue; Hiizu Iwamura","Mn(II)-Induced Formation and Structural Elucidation of a [3 + 3] Benzene Dimer Derivative from m-Phenylenebis(N-tert-butylaminoxyl)","Journal of the American Chemical Society","1999","121","","7264","7265","10.1021/ja9844534","","","0.7107","MoKα","","0.1445","0.0714","","0.0803","0.078","","","","3.305","4.468","4.468","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116480","4.9976","0.0009","10.802","0.004","12.494","0.004","81.28","0.03","82.871","0.019","83.31","0.02","658.2","0.3","294","","294","","","","","","","","?","3","P -1","-P 1","2","","","","- C30 H24 N6 -","- C30 H24 N6 -","- C30 H24 N6 -","1","0.5","","James L. Foley; Lian Li; Daniel J. Sandman; Michael J. Vela; Bruce M. Foxman; Rick Albro; Craig J. Eckhardt","Side Group Interactions in a Polydiacetylene Single Crystal","Journal of the American Chemical Society","1999","121","","7262","7263","10.1021/ja990436i","","","1.54178","CuKα","","","0.0652","","","0.086","","","","","0.9666","0.9666","","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4116481","4.935","0.002","10.861","0.007","12.373","0.012","82.77","0.07","83.84","0.07","83.25","0.05","650.5","0.8","294","","294","","","","","","","","?","3","P -1","-P 1","2","","","","- C15 H12 N3 -","- C15 H12 N3 -","- C30 H24 N6 -","2","1","","James L. Foley; Lian Li; Daniel J. Sandman; Michael J. Vela; Bruce M. Foxman; Rick Albro; Craig J. Eckhardt","Side Group Interactions in a Polydiacetylene Single Crystal","Journal of the American Chemical Society","1999","121","","7262","7263","10.1021/ja990436i","","","1.54178","CuKα","","","0.0845","","","0.1013","","","","","1.4143","1.4143","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116482","4.93","0.003","10.839","0.013","12.33","0.01","83.41","0.08","84.08","0.07","83.24","0.08","647.3","1","294","","294","","","","","","","","?","3","P -1","-P 1","2","","","","- C15 H12 N3 -","- C30 H24 N6 -","- C30 H24 N6 -","1","0.5","","James L. Foley; Lian Li; Daniel J. Sandman; Michael J. Vela; Bruce M. Foxman; Rick Albro; Craig J. Eckhardt","Side Group Interactions in a Polydiacetylene Single Crystal","Journal of the American Chemical Society","1999","121","","7262","7263","10.1021/ja990436i","","","1.54178","CuKα","","","0.0847","","","0.1056","","","","","1.1783","1.1783","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116483","4.9192","0.0016","10.847","0.005","12.21","0.01","84.49","0.06","84.7","0.05","83.1","0.03","641.6","0.6","294","","294","","","","","","","","?","3","P -1","-P 1","2","","","","- C15 H12 N3 -","- C15 H12 N3 -","- C30 H24 N6 -","2","1","","James L. Foley; Lian Li; Daniel J. Sandman; Michael J. Vela; Bruce M. Foxman; Rick Albro; Craig J. Eckhardt","Side Group Interactions in a Polydiacetylene Single Crystal","Journal of the American Chemical Society","1999","121","","7262","7263","10.1021/ja990436i","","","1.54178","CuKα","","","0.0904","","","0.1158","","","","","1.1492","1.1492","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116484","4.9085","0.0014","10.89","0.01","12.007","0.005","86.44","0.05","85.68","0.03","83.19","0.05","634.6","0.7","294","","294","","","","","","","","?","3","P -1","-P 1","2","","","","- C15 H12 N3 -","- C15 H12 N3 -","- C30 H24 N6 -","2","1","","James L. Foley; Lian Li; Daniel J. Sandman; Michael J. Vela; Bruce M. Foxman; Rick Albro; Craig J. Eckhardt","Side Group Interactions in a Polydiacetylene Single Crystal","Journal of the American Chemical Society","1999","121","","7262","7263","10.1021/ja990436i","","","1.54178","CuKα","","","0.0914","","","0.1043","","","","","1.1617","1.1617","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116485","4.9067","0.0005","10.9054","0.0009","11.8787","0.0015","87.517","0.009","86.25","0.01","83.147","0.008","629.33","0.12","294","","294","","","","","","","","?","3","P -1","-P 1","2","","","","- C15 H12 N3 -","- C15 H12 N3 -","- C30 H24 N6 -","2","1","","James L. Foley; Lian Li; Daniel J. Sandman; Michael J. Vela; Bruce M. Foxman; Rick Albro; Craig J. Eckhardt","Side Group Interactions in a Polydiacetylene Single Crystal","Journal of the American Chemical Society","1999","121","","7262","7263","10.1021/ja990436i","","","1.54178","CuKα","","","0.0801","","","0.1063","","","","","1.0335","1.0335","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116486","4.9052","0.0003","10.921","0.001","11.833","0.002","87.908","0.011","86.45","0.01","83.132","0.007","627.86","0.13","294","","294","","","","","","","","?","3","P -1","-P 1","2","","","","- C15 H12 N3 -","- C15 H12 N3 -","- C30 H24 N6 -","2","1","","James L. Foley; Lian Li; Daniel J. Sandman; Michael J. Vela; Bruce M. Foxman; Rick Albro; Craig J. Eckhardt","Side Group Interactions in a Polydiacetylene Single Crystal","Journal of the American Chemical Society","1999","121","","7262","7263","10.1021/ja990436i","","","1.54178","CuKα","","","0.0781","","","0.1087","","","","","0.976","0.976","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116487","9.751","0.001","12.457","0.001","10.542","0.001","90","","110.63","0.01","90","","1198.4","0.2","300","2","300","2","","","","","","","synthetic","5","P 1 21/n 1","-P 2yn","14","","Hexakis(carbonyl)iron(II) undecafluorodiantimonate(V),","","- C6 F22 Fe O6 Sb4 -","- C6 F22 Fe O6 Sb4 -","- C12 F44 Fe2 O12 Sb8 -","2","0.5","","Eduard Bernhardt; Bianca Bley; Rudolf Wartchow; Helge Willner; Eckhard Bill; Peter Kuhn; Iona H. T. Sham; Matthias Bodenbinder; Raimund Bröchler; Friedhelm Aubke","Hexakis(carbonyl)iron(II) Undecafluorodiantimonate(V), [Fe(CO)6][Sb2F11]2, and -Hexafluoroantimonate(V), [Fe(CO)6][SbF6]2, Their Syntheses, and Spectroscopic and Structural Characterization by Single Crystal X-ray Diffraction and Normal Coordinate Analysis","Journal of the American Chemical Society","1999","121","","7188","7200","10.1021/ja990958y","","","0.71073","MoKα","","0.0585","0.0282","","0.0532","","0.0483","","","0.843","","","0.958","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116488","8.258","0.001","8.258","0.001","12.471","0.002","90","","90","","90","","850.5","0.2","300","2","300","2","","","","","","","synthetic","5","P 4/m n c","-P 4 2n","128","","Hexakis(carbonyl)iron(II) hexafluoroantimonate(V),","","- C6 F12 Fe O6 Sb2 -","- C6 F12 Fe O6 Sb2 -","- C12 F24 Fe2 O12 Sb4 -","2","0.125","","Eduard Bernhardt; Bianca Bley; Rudolf Wartchow; Helge Willner; Eckhard Bill; Peter Kuhn; Iona H. T. Sham; Matthias Bodenbinder; Raimund Bröchler; Friedhelm Aubke","Hexakis(carbonyl)iron(II) Undecafluorodiantimonate(V), [Fe(CO)6][Sb2F11]2, and -Hexafluoroantimonate(V), [Fe(CO)6][SbF6]2, Their Syntheses, and Spectroscopic and Structural Characterization by Single Crystal X-ray Diffraction and Normal Coordinate Analysis","Journal of the American Chemical Society","1999","121","","7188","7200","10.1021/ja990958y","","","0.71073","MoKα","","0.0377","0.0259","","0.0668","","0.0626","","","1.026","","","1.13","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116489","10.526","0.003","10.774","0.003","10.818","0.005","90","","90","","90","","1226.8","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5S,S(S))-4-(tert-butylsulfinyl)bicyclo(3.3.0)oct-1-en-3-one","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C48 H72 O8 S4 -","4","1","","Javier Adrio; Juan C. Carretero","The tert-Butylsulfinyl Group as a Highly Efficient Chiral Auxiliary in Asymmetric Pauson-Khand Reactions","Journal of the American Chemical Society","1999","121","","7411","7412","10.1021/ja990546p","","","1.54178","CuKα","","0.0364","0.0353","","0.1055","0.1026","","","","0.586","0.582","0.582","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116490","13.352","0.001","14.035","0.001","20.269","0.002","90","","106.599","0.002","90","","3640","0.5","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 Cd Cl2 N6 O9 Pt -","- C33 H36 Cd Cl2 N6 O9 Pt -","- C132 H144 Cd4 Cl8 N24 O36 Pt4 -","4","1","","Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito","The First Examples of Platinum(II)-Cadmium(II) Bonds: The Role of Strong Field Ligands in Making Dative Pt\ρightarrowM Bonds","Journal of the American Chemical Society","1999","121","","7405","7406","10.1021/ja991053n","","","0.7107","MoKα","","0.1093","0.0506","","","","0.1452","","","","","","0.779","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116491","20.966","0.002","11.314","0.001","16.582","0.002","90","","120.944","0.002","90","","3373.6","0.6","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C20 H34 Cd Cl2 N6 O8 Pt -","- C23 H34 Cd Cl2 N6 O9 Pt -","- C92 H136 Cd4 Cl8 N24 O36 Pt4 -","4","1","","Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito","The First Examples of Platinum(II)-Cadmium(II) Bonds: The Role of Strong Field Ligands in Making Dative Pt\ρightarrowM Bonds","Journal of the American Chemical Society","1999","121","","7405","7406","10.1021/ja991053n","","","0.7107","MoKα","","0.0615","0.0373","","","","0.0876","","","","","","0.941","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116492","9.108","0.001","10.059","0.001","13.633","0.001","90","","97.023","0.001","90","","1239.6","0.2","150","0.1","150","0.1","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 F6 N2 O2 U2 -","- C4 H6 F6 N2 O4 U2 -","- C16 H24 F24 N8 O16 U8 -","4","0.5","","P. S. Halasyamani; S. M. Walker; D. O'Hare","The First Open Framework Actinide Material (C4N2H12)U2O4F6 (MUF-1)","Journal of the American Chemical Society","1999","121","","7415","7416","10.1021/ja9912271","","","0.71073","MoKα","","0.0403","0.0399","","0.1031","0.1029","","","","1.103","1.103","1.103","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116493","23.282","0.002","16.787","0.002","15.0481","0.0014","90","","90","","90","","5881.3","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Me5CpRe)2[Co2(CO)5]B4H4","","- C25 H34 B4 Co2 O5 Re2 -","- C25 H34 B4 Co2 O5 Re2 -","- C200 H272 B32 Co16 O40 Re16 -","8","1","","Sundargopal Ghosh; Maoyu Shang; Thomas P. Fehlner","A Novel Coordinated Inorganic Benzene: Synthesis and Characterization of {η5-C5Me5Re}2{μ-η6:η6-B4H4Co2(CO)5}","Journal of the American Chemical Society","1999","121","","7451","7452","10.1021/ja991306c","","","0.71073","MoKα","","0.0752","0.0368","","","0.0757","0.0915","","","","","","1","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116494","10.556","0.0007","12.225","0.0007","11.7344","0.0008","90","","105.213","0.002","90","","1461.22","0.16","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Andrew S. Kende; Terrence L. Smalley; He Huang","Total Synthesis of (\±)-Isostemofoline","Journal of the American Chemical Society","1999","121","","7431","7432","10.1021/ja991528a","","","0.71073","MoKα","","0.0866","0.0603","","0.1289","0.1179","","","","1.152","1.211","1.211","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116495","8.962","0.003","11.569","0.002","12.316","0.002","90","","105.48","0.01","90","","1230.6","0.5","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H17 N2 O6.5 V -","- C8 H16 N2 O6.5 V -","- C32 H64 N8 O26 V4 -","4","1","","Kawabe, Kenji; Tadokoro, Makoto; Ichimura, Akio; Kojima, Yoshitane; Takino, Toshikazu; Sakurai, Hiromu","Stereospecific and Structure-Dependent Insulin-Mimetic Oxovanadium(IV) Complexes with N,N'-Ethylenebis(amino acids)","Journal of the American Chemical Society","1999","121","34","7937","7938","10.1021/ja984225+","","","0.7107","MoKα","","0","0","","","0","0.0515","","","","","","1.525","","","","has coordinates","270160","2021-10-29","11:54:26",""
"4116496","7.6043","0.0005","9.049","0.001","6.7747","0.0009","99.2","0.01","102.186","0.008","78.951","0.009","443.75","0.08","296.2","","296.2","","","","","","","","","6","P 1","P 1","1","","","","- C12 H24 N2 O6 S2 V -","- C12 H24 N2 O6 S2 V -","- C12 H24 N2 O6 S2 V -","1","1","","Kawabe, Kenji; Tadokoro, Makoto; Ichimura, Akio; Kojima, Yoshitane; Takino, Toshikazu; Sakurai, Hiromu","Stereospecific and Structure-Dependent Insulin-Mimetic Oxovanadium(IV) Complexes with N,N'-Ethylenebis(amino acids)","Journal of the American Chemical Society","1999","121","34","7937","7938","10.1021/ja984225+","","","1.5418","CuKα","","0.0276","0.0276","","","0.0382","0.0382","","","","","","1.36","","","","has coordinates","270160","2021-10-29","11:54:27",""
"4116497","15.8","0.002","16.424","0.004","8.073","0.002","90","","90","","90","","2094.9","0.8","23","","23","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl Ru S2 Ti -","- C80 H108 Cl4 Ru4 S8 Ti4 -","- C80 H108 Cl4 Ru4 S8 Ti4 -","","","","Shin-ichiro Kabashima; Shigeki Kuwata; Masanobu Hidai","Electron-Deficient Early-Late Heterobimetallic Sulfido Clusters. Unusual Reactivities of Ti2Ru2S4 Cubane-Type Clusters with Four Cyclopentadienyl Coligands","Journal of the American Chemical Society","1999","121","","7837","7845","10.1021/ja990034a","","","0.7107","MoKalpha","","","0.028","","","0.022","","","","","2.46","2.46","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116498","16.799","0.001","19.335","0.002","10.035","0.001","90","","90","","90","","3259.5","0.5","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H40 Ru2 S4 Ti2 -","- C30 H40 Ru2 S4 Ti2 -","- C120 H160 Ru8 S16 Ti8 -","4","0.5","","Shin-ichiro Kabashima; Shigeki Kuwata; Masanobu Hidai","Electron-Deficient Early-Late Heterobimetallic Sulfido Clusters. Unusual Reactivities of Ti2Ru2S4 Cubane-Type Clusters with Four Cyclopentadienyl Coligands","Journal of the American Chemical Society","1999","121","","7837","7845","10.1021/ja990034a","","","0.7107","MoKα","","0","0","","","0","0.024","","","","","","2.704","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116499","20.284","0.004","11.094","0.004","21.909","0.004","90","","105.36","0.02","90","","4754","2","296.2","","296.2","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 F12 N2 O2 P2 Ru2 S4 Ti2 -","- C36 H54 F12 N2 O2 P2 Ru2 S4 Ti2 -","- C144 H216 F48 N8 O8 P8 Ru8 S16 Ti8 -","4","1","","Shin-ichiro Kabashima; Shigeki Kuwata; Masanobu Hidai","Electron-Deficient Early-Late Heterobimetallic Sulfido Clusters. Unusual Reactivities of Ti2Ru2S4 Cubane-Type Clusters with Four Cyclopentadienyl Coligands","Journal of the American Chemical Society","1999","121","","7837","7845","10.1021/ja990034a","","","0.7107","MoKα","","0.046","0.046","","","0.0355","0.0355","","","","","","1.855","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116500","10.398","0.004","18.263","0.005","19.474","0.004","90","","92.55","0.03","90","","3694.4","1.9","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H42 Cl4 Ru2 S4 Ti2 -","- C31 H42 Cl4 Ru2 S4 Ti2 -","- C124 H168 Cl16 Ru8 S16 Ti8 -","4","1","","Shin-ichiro Kabashima; Shigeki Kuwata; Masanobu Hidai","Electron-Deficient Early-Late Heterobimetallic Sulfido Clusters. Unusual Reactivities of Ti2Ru2S4 Cubane-Type Clusters with Four Cyclopentadienyl Coligands","Journal of the American Chemical Society","1999","121","","7837","7845","10.1021/ja990034a","","","0.7107","MoKα","","0.0478","0.0478","","","0.032","0.032","","","","","","1.632","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116501","9.857","0.002","19.792","0.002","17.774","0.002","90","","91.72","0.01","90","","3466","0.9","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 Cl5 Ru2 S4 Ti2 -","- C26 H37 Cl5 Ru2 S4 Ti2 -","- C104 H148 Cl20 Ru8 S16 Ti8 -","4","1","","Shin-ichiro Kabashima; Shigeki Kuwata; Masanobu Hidai","Electron-Deficient Early-Late Heterobimetallic Sulfido Clusters. Unusual Reactivities of Ti2Ru2S4 Cubane-Type Clusters with Four Cyclopentadienyl Coligands","Journal of the American Chemical Society","1999","121","","7837","7845","10.1021/ja990034a","","","0.7107","MoKα","","0.0439","0.0439","","","0.0336","0.0336","","","","","","1.602","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116502","20.75","0.001","17.0434","0.0009","17.1877","0.0009","90","","124.79","0.01","90","","4991.9","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H76 Cl2 O4 Si Ti -","- C54 H76 Cl2 O4 Si Ti -","- C216 H304 Cl8 O16 Si4 Ti4 -","4","0.5","","Oleg V. Ozerov; Folami T. Ladipo; Brian O. Patrick","Highly Regioselective Alkyne Cyclotrimerization Catalyzed by Titanium Complexes Supported by Proximally Bridged p-tert-Butylcalix[4]arene Ligands","Journal of the American Chemical Society","1999","121","","7941","7942","10.1021/ja990740b","","","0.71073","MoKα","","0.1549","0.1231","","0.2649","0.2505","","","","1.194","1.258","1.258","","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116503","11.5028","0.0001","12.4083","0.0001","12.4609","0.0002","106.587","0.001","93.1","0.001","116.809","0.001","1486.17","0.04","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H31 B0.5 N0.5 P2 Pd -","- C32.75 H29.5 B0.25 N0.5 P2 Pd -","- C65.5 H59 B0.5 N P4 Pd2 -","2","1","","Robert A. Stockland; Gordon K. Anderson; Nigam P. Rath","Reductive Elimination of Alkanes and Arenes from [Pd2R2(μ-H)(μ-dppm)2]PF6 Complexes","Journal of the American Chemical Society","1999","121","","7945","7946","10.1021/ja990815b","","","0.71073","MoKα","","0.0689","0.0436","","0.1445","0.1181","","","","1.069","1.145","1.145","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116504","11.7906","0.0014","12.4046","0.001","23.7952","0.0018","90","0.006","90","0.008","90","0.008","3480.2","0.6","293","2","293","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","none","Zinc(II)-2-devinyl-2-carboximinopyropheophorbide a methyl ester chloroform solvate","","- C34 H34 Cl3 N5 O4 Zn -","- C34 H34 Cl3 N5 O4 Zn -","- C136 H136 Cl12 N20 O16 Zn4 -","4","1","","Spencer Knapp; Buwen Huang; Thomas J. Emge; Suzie Sheng; Karsten Krogh-Jespersen; Joseph A. Potenza; Harvey J. Schugar","A Pyropheophorbide Dimer with Single Pyrrole π Overlap and a Low-Energy Q Absorption","Journal of the American Chemical Society","1999","121","","7977","7978","10.1021/ja991632s","","","1.54184","CuKα","","0.0766","0.0646","","","0.1569","0.163","","","","","","1.002","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116505","17.876","0.001","10.73","0.001","37.935","0.002","90","","96.75","0.01","90","","7225.9","0.9","110","1","110","1","","","","","","","Synthesized in the laboratory of Mark S. Meier","3","P 1 21/c 1","-P 2ybc","14","","7,8-dichloromethanohomo70-fullerene","","- C73.61 H5.78 Cl2 -","- C73.612 H5.776 Cl2 -","- C588.896 H46.208 Cl16 -","8","2","","Andrew F. Kiely; Robert C. Haddon; Mark S. Meier; John P. Selegue; Carolyn Pratt Brock; Brian O. Patrick; Guan-Wu Wang; Yongsheng Chen","The First Structurally Characterized Homofullerene (Fulleroid)","Journal of the American Chemical Society","1999","121","","7971","7972","10.1021/ja991692y","","","0.71073","MoKα","","0.175","0.089","","0.144","0.126","","","","1.1","1.25","1.25","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116506","8.3256","0.0009","20.008","0.002","21.468","0.002","90","","93.725","0.01","90","","3568.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H45 B2 N10 Sm -","- C33.5 H41 B2 N10 Sm -","- C134 H164 B8 N40 Sm4 -","4","1","","I. Lopes; G. Y. Lin; A. Domingos; R. McDonald; N. Marques; J. Takats","Unprecedented Transformation of a Hydrotris(pyrazolyl)borate Ligand at a Metal Center: Synthesis and Rearrangement of the First Mixed Tp/Cp Lanthanide Complex, Sm(TpMe2)2(Cp)","Journal of the American Chemical Society","1999","121","","8110","8111","10.1021/ja984227u","","","0.71073","MoKα","","0.1151","0.0653","","0.2281","0.136","","","","1.106","1.117","1.117","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116507","9.8344","0.0011","15.8217","0.0016","18.058","0.002","103.464","0.002","106.315","0.002","90.169","0.002","2615.5","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H67 B2 N12 Sm -","- C53 H67 B2 N12 Sm -","- C106 H134 B4 N24 Sm2 -","2","1","","I. Lopes; G. Y. Lin; A. Domingos; R. McDonald; N. Marques; J. Takats","Unprecedented Transformation of a Hydrotris(pyrazolyl)borate Ligand at a Metal Center: Synthesis and Rearrangement of the First Mixed Tp/Cp Lanthanide Complex, Sm(TpMe2)2(Cp)","Journal of the American Chemical Society","1999","121","","8110","8111","10.1021/ja984227u","","","0.71073","MoKα","","0.1089","0.0675","","","0.1446","0.1636","","","","","","0.936","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116508","16.7314","0.0002","17.3877","0.0003","46.0307","0.0006","90","","90","","90","","13391.3","0.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","o-Cl-HABI","","","- C42 H28 Cl2 N4 -","- C42 H28 Cl2 N4 -","- C672 H448 Cl32 N64 -","16","2","","Masaki Kawano; Tomokatsu Sano; Jiro Abe; Yuji Ohashi","The First in Situ Direct Observation of the Light-Induced Radical Pair from a Hexaarylbiimidazolyl Derivative by X-ray Crystallography","Journal of the American Chemical Society","1999","121","","8106","8107","10.1021/ja9903173","","","0.71073","MoKα","","0.0622","0.0409","","","0.0924","0.101","","","","","","1.005","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116509","16.6975","0.0003","17.3715","0.0003","45.9434","0.0003","90","","90","","90","","13326.4","0.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","o-Cl-HABI & lophine radical","","","- C42 H28 Cl2 N4 -","- C42 H28 Cl2 N4 -","- C672 H448 Cl32 N64 -","16","2","","Masaki Kawano; Tomokatsu Sano; Jiro Abe; Yuji Ohashi","The First in Situ Direct Observation of the Light-Induced Radical Pair from a Hexaarylbiimidazolyl Derivative by X-ray Crystallography","Journal of the American Chemical Society","1999","121","","8106","8107","10.1021/ja9903173","","","0.71073","MoKα","","0.0795","0.0535","","","0.1117","0.121","","","","","","1.08","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116510","11.647","0.004","11.986","0.003","12.047","0.006","103.25","0.03","106.01","0.03","109.91","0.02","1419.5","1.1","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 N3 Ni O2 S10 -","- C20 H21 N3 Ni O2 S10 -","- C40 H42 N6 Ni2 O4 S20 -","2","1","","Hiroyuki Imai; Takeo Otsuka; Toshio Naito; Kunio Awaga; Tamotsu Inabe","M(dmit)2 Salts with Nitronyl Nitroxide Radical Cations (M = Ni and Au, dmit = 1,3-Dithiol-2-thione-4,5-dithiolate). Nonmagnetic Single-Chain Formation vs Antiferromagnetic Spin-Ladder-Chain Formation of M(dmit)2","Journal of the American Chemical Society","1999","121","","8098","8103","10.1021/ja991058k","","","0.71073","MoKα","","","0.045","","","0.048","","","","","1.453","1.453","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116511","14.42","0.005","16.544","0.004","12.741","0.003","92.71","0.02","100.13","0.02","103.61","0.02","2895.6","1.4","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Au N3 O2 S10 -","- C20 H21 Au0.75 N3 O2 S10 -","- C80 H84 Au3 N12 O8 S40 -","4","2","","Hiroyuki Imai; Takeo Otsuka; Toshio Naito; Kunio Awaga; Tamotsu Inabe","M(dmit)2 Salts with Nitronyl Nitroxide Radical Cations (M = Ni and Au, dmit = 1,3-Dithiol-2-thione-4,5-dithiolate). Nonmagnetic Single-Chain Formation vs Antiferromagnetic Spin-Ladder-Chain Formation of M(dmit)2","Journal of the American Chemical Society","1999","121","","8098","8103","10.1021/ja991058k","","","0.7107","MoKα","","0","0.082","","","0","0.0577","","","","","","3.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116512","13.6792","0.0006","14.7758","0.0007","20.9824","0.0012","90","","90","","90","","4241","0.4","220","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H74 N2 P6 Ru2 Si2 -","- C24 H74 N2 P6 Ru2 Si2 -","- C96 H296 N8 P24 Ru8 Si8 -","4","0.5","","Vladimir K. Dioumaev; Karl Plössl; Patrick J. Carroll; Donald H. Berry","Formation and Interconversion of Ruthenium-Silene and 16-Electron Ruthenium Silyl Complexes","Journal of the American Chemical Society","1999","121","","8391","8392","10.1021/ja984363z","","","0.7107","MoKα","","0.0512","0.048","","0.109","0.1069","","","","1.108","1.118","1.118","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116513","27.086","0.005","15.533","0.003","14.207","0.003","90","","104.31","0.03","90","","5792","2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Zr -","- C36 H40 Zr -","- C288 H320 Zr8 -","8","1","","Paul-Michael Pellny; Frank G. Kirchbauer; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactivity of Permethylzirconocene and Permethyltitanocene toward Disubstituted 1,3-Butadiynes: η4- vs η2-Complexation or C-C Coupling with the Permethyltitanocene","Journal of the American Chemical Society","1999","121","","8313","8323","10.1021/ja991046z","","","0.71073","MoKα","","0.063","0.0326","","0.0801","0.0744","","","","0.919","1.116","1.116","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116514","10.595","0.002","18.22","0.004","15.891","0.003","90","","94.5","0.03","90","","3058.2","1.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Si2 Zr -","- C30 H48 Si2 Zr -","- C120 H192 Si8 Zr4 -","4","1","","Paul-Michael Pellny; Frank G. Kirchbauer; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactivity of Permethylzirconocene and Permethyltitanocene toward Disubstituted 1,3-Butadiynes: η4- vs η2-Complexation or C-C Coupling with the Permethyltitanocene","Journal of the American Chemical Society","1999","121","","8313","8323","10.1021/ja991046z","","","0.71073","MoKα","","0.0653","0.049","","0.1348","0.1266","","","","1.057","1.128","1.128","","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116515","11.237","0.002","11.534","0.002","13.691","0.003","76.36","0.03","67.09","0.03","74.46","0.03","1557.3","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H48 Si2 Ti -","- C30 H48 Si2 Ti -","- C60 H96 Si4 Ti2 -","2","1","","Paul-Michael Pellny; Frank G. Kirchbauer; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactivity of Permethylzirconocene and Permethyltitanocene toward Disubstituted 1,3-Butadiynes: η4- vs η2-Complexation or C-C Coupling with the Permethyltitanocene","Journal of the American Chemical Society","1999","121","","8313","8323","10.1021/ja991046z","","","0.71073","MoKα","","0.0564","0.0442","","0.1355","0.128","","","","0.999","1.067","1.067","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116516","26.632","0.005","8.931","0.002","25.953","0.005","90","","109.16","0.03","90","","5831","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Ti -","- C36 H40 Ti -","- C288 H320 Ti8 -","8","2","","Paul-Michael Pellny; Frank G. Kirchbauer; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactivity of Permethylzirconocene and Permethyltitanocene toward Disubstituted 1,3-Butadiynes: η4- vs η2-Complexation or C-C Coupling with the Permethyltitanocene","Journal of the American Chemical Society","1999","121","","8313","8323","10.1021/ja991046z","","","0.71073","MoKα","","0.0831","0.0461","","0.1108","0.1023","","","","0.861","1.051","1.051","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116517","17.064","0.003","8.838","0.002","21.308","0.004","90","","107.7","0.03","90","","3061.4","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 O2 Ti -","- C37 H40 O2 Ti -","- C148 H160 O8 Ti4 -","4","1","","Paul-Michael Pellny; Frank G. Kirchbauer; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactivity of Permethylzirconocene and Permethyltitanocene toward Disubstituted 1,3-Butadiynes: η4- vs η2-Complexation or C-C Coupling with the Permethyltitanocene","Journal of the American Chemical Society","1999","121","","8313","8323","10.1021/ja991046z","","","0.71073","MoKα","","0.0983","0.0452","","0.0998","0.0885","","","","0.817","1.053","1.053","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116518","17.104","0.003","17.173","0.003","48.17","0.01","90","","90","","90","","14149","5","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C32 H48 O4 Si2 Zr -","- C32 H48 O4 Si2 Zr -","- C512 H768 O64 Si32 Zr16 -","16","0.5","","Paul-Michael Pellny; Frank G. Kirchbauer; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactivity of Permethylzirconocene and Permethyltitanocene toward Disubstituted 1,3-Butadiynes: η4- vs η2-Complexation or C-C Coupling with the Permethyltitanocene","Journal of the American Chemical Society","1999","121","","8313","8323","10.1021/ja991046z","","","0.71073","MoKα","","0.0458","0.0345","","0.0925","0.0886","","","","0.976","1.054","1.054","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116519","10.567","0.002","12.213","0.002","13.991","0.003","92.07","0.03","100.15","0.03","114.87","0.03","1600.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H48 O2 Si2 Ti -","- C31 H48 O2 Si2 Ti -","- C62 H96 O4 Si4 Ti2 -","2","1","","Paul-Michael Pellny; Frank G. Kirchbauer; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactivity of Permethylzirconocene and Permethyltitanocene toward Disubstituted 1,3-Butadiynes: η4- vs η2-Complexation or C-C Coupling with the Permethyltitanocene","Journal of the American Chemical Society","1999","121","","8313","8323","10.1021/ja991046z","","","0.71073","MoKα","","0.0499","0.0403","","0.1269","0.1171","","","","1.082","1.109","1.109","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116520","31.235","0.004","10.637","0.001","8.579","0.003","90","","90","","90","","2850.3","1.1","132","","132","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1572","0.0631","","0.0919","","0.0696","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116521","31.263","0.004","10.668","0.001","8.604","0.004","90","","90","","90","","2869.6","1.4","175","","175","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1705","0.0673","","0.0978","","0.0717","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116522","31.276","0.003","10.687","0.001","8.62","0.003","90","","90","","90","","2881.2","1.1","190","","132","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1891","0.0746","","0.1027","","0.0781","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116523","31.284","0.002","10.702","0.0006","8.629","0.002","90","","90","","90","","2889","0.7","204","","132","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.222","0.0809","","0.113","","0.0852","","","","","","1.314","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116524","31.292","0.002","10.7148","0.0006","8.637","0.002","90","","90","","90","","2895.9","0.7","219","","219","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1829","0.0677","","0.0911","","0.0705","","","","","","1.223","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116525","31.317","0.002","10.7471","0.0007","8.66","0.002","90","","90","","90","","2914.7","0.7","250","","250","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.2061","0.0779","","0.1123","","0.0849","","","","","","1.221","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116526","31.333","0.002","10.7715","0.0007","8.677","0.002","90","","90","","90","","2928.5","0.7","273","","273","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1434","0.0606","","0.0819","","0.0669","","","","","","1.406","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116527","31.378","0.002","10.8387","0.0006","8.714","0.002","90","","90","","90","","2963.6","0.7","324","","324","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1657","0.0611","","0.0836","","0.0659","","","","","","1.376","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116528","9.42","0.003","12.022","0.004","18.224","0.003","73.26","0.018","82.468","0.02","74.29","0.03","1899.4","1","295.2","","295","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H46 N2 -","- C46 H37 N2 -","- C92 H74 N4 -","2","1","","Joshua J. Pak; Timothy J. R. Weakley; Michael M. Haley","Stepwise Assembly of Site Specifically Functionalized Dehydrobenzo[18]annulenes","Journal of the American Chemical Society","1999","121","","8182","8192","10.1021/ja991749g","","","0.71073","MoKα","","0.21","0.096","","0.099","","0.093","","","2.28","","","3.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116529","10.023","0.001","13.922","0.002","16.577","0.002","74.555","0.009","86.062","0.009","79.597","0.01","2192.5","0.5","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H46 Cl2 N4 O4 -","- C47 H46 Cl2 N4 O4 -","- C94 H92 Cl4 N8 O8 -","2","1","","Joshua J. Pak; Timothy J. R. Weakley; Michael M. Haley","Stepwise Assembly of Site Specifically Functionalized Dehydrobenzo[18]annulenes","Journal of the American Chemical Society","1999","121","","8182","8192","10.1021/ja991749g","","","0.71073","MoKα","","","0.1011","","","0.0534","","","","","1.69","1.69","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116530","9.7761","0.001","31.232","0.004","10.954","0.003","90","","114.464","0.014","90","","3044.3","1","294","","294","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C38 H28 N2 O2 -","- C38 H28 N2 O2 -","- C152 H112 N8 O8 -","4","1","","Joshua J. Pak; Timothy J. R. Weakley; Michael M. Haley","Stepwise Assembly of Site Specifically Functionalized Dehydrobenzo[18]annulenes","Journal of the American Chemical Society","1999","121","","8182","8192","10.1021/ja991749g","","","0.71073","MoKα","","0.079","0.053","","0.098","","0.045","","","1.26","","","1.27","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116531","10.7692","0.0018","11.4492","0.0029","14.3082","0.0017","70.552","0.016","78.929","0.012","64.781","0.017","1502.4","0.5","273","","273","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H28 N2 O2 -","- C38 H28 N2 O2 -","- C76 H56 N4 O4 -","2","1","","Joshua J. Pak; Timothy J. R. Weakley; Michael M. Haley","Stepwise Assembly of Site Specifically Functionalized Dehydrobenzo[18]annulenes","Journal of the American Chemical Society","1999","121","","8182","8192","10.1021/ja991749g","","","0.71073","MoKα","","0.316","0.147","","0.082","","0.067","","","1.17","","","1.37","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116532","33.401","0.007","33.401","0.007","9.241","0.004","90","","90","","120","","8928","5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","ZnDachPO","zinc(1,2-diaminocyclohexane)phosphate","","- C6 H21 N2 O14 P3 Zn3 -","- C6 H21 N2 O14 P3 Zn3 -","- C108 H378 N36 O252 P54 Zn54 -","18","1","","Guo-Yu Yang; Slavi C. Sevov","Zinc Phosphate with Gigantic Pores of 24 Tetrahedra","Journal of the American Chemical Society","1999","121","","8389","8390","10.1021/ja991985r","","","0.71073","MoKα","","0.0704","0.0523","","","0.1471","0.1592","","","","","","1.101","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116533","16.6797","0.0008","14.6412","0.0007","21.2925","0.001","90","","112.26","0.001","90","","4812.3","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H76 Na14 O110 P2 U2 W18 -","- Na12.8 O110 P2 U2 W18 -","- Na25.6 O220 P4 U4 W36 -","2","0.5","","Kee-Chan Kim; Michael T. Pope","Cation-Directed Structure Changes in Polyoxometalate Chemistry. Equilibria between Isomers of Bis(9-tungstophosphatodioxouranate(VI)) Complexes","Journal of the American Chemical Society","1999","121","","8512","8517","10.1021/ja9909125","","","0.71073","MoKα","","0.061","0.0549","","","0.1407","0.1458","","","","","","1.156","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116534","12.601","0.0017","20.175","0.003","35.124","0.008","90","","99.056","0.019","90","","8818","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- H94 N14 O91 P2 U2 W18 -","- O105 P2 U2 W18 -","- O420 P8 U8 W72 -","4","1","","Kee-Chan Kim; Michael T. Pope","Cation-Directed Structure Changes in Polyoxometalate Chemistry. Equilibria between Isomers of Bis(9-tungstophosphatodioxouranate(VI)) Complexes","Journal of the American Chemical Society","1999","121","","8512","8517","10.1021/ja9909125","","","0.71073","MoKα","","0.0839","0.0563","","","0.1346","0.1449","","","","","","1.069","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116535","11.3537","0.0014","15.0288","0.0018","15.6424","0.0018","90","","104.358","0.002","90","","2585.7","0.5","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1,2-bis(2-methyl-6-nitro-1-benzothiophen-3-yl)perfluorocyclopentene (2a-b)","3-(3,3,4,4,5,5-hexafluoro-2-(2-methyl-6-nitrobenzo[b]thiophen-3- yl)cyclopent-1-enyl)-2-methyl-6-nitrobenzo[b]thiophene","","- C26 H18 F6 N2 O5 S2 -","- C26 H18 F6 N2 O5 S2 -","- C104 H72 F24 N8 O20 S8 -","4","1","","Seiya Kobatake; Motoki Yamada; Taro Yamada; Masahiro Irie","Photochromism of 1,2-Bis(2-methyl-6-nitro-1-benzothiophen-3-yl)perfluorocyclopentene in a Single-Crystalline Phase: Dichroism of the Closed-Ring Form Isomer","Journal of the American Chemical Society","1999","121","","8450","8456","10.1021/ja991013j","","","0.71073","MoKα","","0.1014","0.0852","","","0.2403","0.2498","","","","","","1.154","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116536","9.9409","0.0017","15.748","0.003","14.492","0.003","90","","100.297","0.004","90","","2232.2","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2-bis(2-methyl-6-nitro-1-benzothiophen-3-yl)perfluorocyclopentene (2a-a)","3-(3,3,4,4,5,5-hexafluoro-2-(2-methyl-6-nitrobenzo[b]thiophen-3- yl)cyclopent-1-enyl)-2-methyl-6-nitrobenzo[b]thiophene","","- C23 H12 F6 N2 O4 S2 -","- C23 H12 F6 N2 O4 S2 -","- C92 H48 F24 N8 O16 S8 -","4","1","","Seiya Kobatake; Motoki Yamada; Taro Yamada; Masahiro Irie","Photochromism of 1,2-Bis(2-methyl-6-nitro-1-benzothiophen-3-yl)perfluorocyclopentene in a Single-Crystalline Phase: Dichroism of the Closed-Ring Form Isomer","Journal of the American Chemical Society","1999","121","","8450","8456","10.1021/ja991013j","","","0.71073","MoKα","","0.0571","0.0413","","","0.1248","0.132","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116537","11.597","0.0009","13.085","0.0011","14.2697","0.0011","83.585","0.001","80.643","0.001","87.451","0.001","2122.4","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","(2b)","3,3,4,4,5,5-hexafluoro-15,16-dimethyl-11,20-dinitro-14,17-dithiahexacyclo[14.7.0.0^2,6^.0^7,15^.0^8,13^.0^18,23^]tricosa-1(2),6(7),8(9),10,12,18(19),20,22-octaene","","- C23 H12 F6 N2 O4 S2 -","- C23 H12 F6 N2 O4 S2 -","- C92 H48 F24 N8 O16 S8 -","4","2","","Seiya Kobatake; Motoki Yamada; Taro Yamada; Masahiro Irie","Photochromism of 1,2-Bis(2-methyl-6-nitro-1-benzothiophen-3-yl)perfluorocyclopentene in a Single-Crystalline Phase: Dichroism of the Closed-Ring Form Isomer","Journal of the American Chemical Society","1999","121","","8450","8456","10.1021/ja991013j","","","0.71073","MoKα","","0.0706","0.0416","","","0.0996","0.1145","","","","","","1.01","","","","has coordinates","211399","2020-10-21","18:00:00",""
"4116538","13.4685","0.0007","13.7905","0.0007","19.4425","0.001","106.512","0.001","92.157","0.001","94.53","0.001","3444.6","0.3","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H61 B11 Br6 Fe N4 -","- C72 H61 B11 Br6 Fe N4 -","- C144 H122 B22 Br12 Fe2 N8 -","2","1","","Daniel R. Evans; Nathanael L. P. Fackler; Zuowei Xie; Clifton E. F. Rickard; Peter D. W. Boyd; Christopher A. Reed","π-Arene/Cation Structure and Bonding. Solvation versus Ligand Binding in Iron(III) Tetraphenylporphyrin Complexes of Benzene, Toluene, p-Xylene, and [60]Fullerene","Journal of the American Chemical Society","1999","121","","8466","8474","10.1021/ja9910816","","","0.71073","MoKα","","0.108","0.0565","","0.1083","0.0882","","","","1.034","1.132","1.132","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116539","13.6005","0.0007","14.6761","0.0007","15.9556","0.0008","68.142","0.001","82.499","0.001","75.838","0.001","2863.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H50 Al B F20 N2 -","- C60 H50 Al B F20 N2 -","- C120 H100 Al2 B2 F40 N4 -","2","1","","Catherine E. Radzewich; Ilia A. Guzei; Richard F. Jordan","Three-Coordinate Cationic Aluminum Alkyl Complexes Incorporating β-Diketiminate Ligands","Journal of the American Chemical Society","1999","121","","8673","8674","10.1021/ja991759h","","","0.71073","MoKα","","0.0614","0.0374","","","0.0936","0.1019","","","","","","1.033","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116540","14.07","0.0007","16.6044","0.0009","20.3608","0.0011","99.262","0.001","92.093","0.001","98.103","0.001","4639.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H47 Al B F15 N2 -","- C49 H47 Al B F15 N2 -","- C196 H188 Al4 B4 F60 N8 -","4","2","","Catherine E. Radzewich; Ilia A. Guzei; Richard F. Jordan","Three-Coordinate Cationic Aluminum Alkyl Complexes Incorporating β-Diketiminate Ligands","Journal of the American Chemical Society","1999","121","","8673","8674","10.1021/ja991759h","","","0.71073","MoKα","","0.0625","0.0368","","","0.0898","0.0984","","","","","","1.033","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116541","14.569","0.002","15.0986","0.0014","14.554","0.002","90","","113.14","0.012","90","","2943.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Cl2 Fe N4 -","- C29 H34 Cl2 Fe N4 -","- C116 H136 Cl8 Fe4 N16 -","4","1","","George J. P. Britovsek; Michael Bruce; Vernon C. Gibson; Brian S. Kimberley; Peter J. Maddox; Sergio Mastroianni; Stuart J. McTavish; Carl Redshaw; Gregory A. Solan; Staffan Strömberg; Andrew J. P. White; David J. Williams","Iron and Cobalt Ethylene Polymerization Catalysts Bearing 2,6-Bis(Imino)Pyridyl Ligands: Synthesis, Structures, and Polymerization Studies","Journal of the American Chemical Society","1999","121","","8728","8740","10.1021/ja990449w","","","1.54178","CuKα","","0.1332","0.0685","","0.1801","0.1442","","","","1.028","1.142","1.142","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116542","14.536","0.002","15.273","0.003","14.676","0.002","90","","112.409","0.013","90","","3012.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Br2 Fe N4 -","- C29 H34 Br2 Fe N4 -","- C116 H136 Br8 Fe4 N16 -","4","1","","George J. P. Britovsek; Michael Bruce; Vernon C. Gibson; Brian S. Kimberley; Peter J. Maddox; Sergio Mastroianni; Stuart J. McTavish; Carl Redshaw; Gregory A. Solan; Staffan Strömberg; Andrew J. P. White; David J. Williams","Iron and Cobalt Ethylene Polymerization Catalysts Bearing 2,6-Bis(Imino)Pyridyl Ligands: Synthesis, Structures, and Polymerization Studies","Journal of the American Chemical Society","1999","121","","8728","8740","10.1021/ja990449w","","","1.54178","CuKα","","0.1172","0.0592","","0.1451","0.118","","","","1.021","1.116","1.116","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116543","8.7484","0.0012","9.8655","0.0012","20.97","0.003","84.137","0.012","88.233","0.011","65.676","0.009","1640.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H44 Cl2 Co N3 O0.5 -","- C33 H43 Cl2 Co N3 O0.5 -","- C66 H86 Cl4 Co2 N6 O -","2","1","","George J. P. Britovsek; Michael Bruce; Vernon C. Gibson; Brian S. Kimberley; Peter J. Maddox; Sergio Mastroianni; Stuart J. McTavish; Carl Redshaw; Gregory A. Solan; Staffan Strömberg; Andrew J. P. White; David J. Williams","Iron and Cobalt Ethylene Polymerization Catalysts Bearing 2,6-Bis(Imino)Pyridyl Ligands: Synthesis, Structures, and Polymerization Studies","Journal of the American Chemical Society","1999","121","","8728","8740","10.1021/ja990449w","","","0.71073","MoKα","","0.089","0.0506","","0.1163","0.0991","","","","1.012","1.079","1.079","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116544","14.3725","0.0002","26.2888","0.0001","26.5749","0.0004","73.468","0.001","76.193","0.001","84.178","0.001","9341.7","0.2","173","2","173","2","","","","","","","Prof. R. Beer - Columbia University","8","P -1","-P 1","2","96092","","","- C108 H229 N7 Nb2 O80 P2 W22 Zr -","- C108 H229 N7 Nb2 O80 P2 W22 Zr -","- C216 H458 N14 Nb4 O160 P4 W44 Zr2 -","2","1","","Emil V. Radkov; Victor G. Young; Robert H. Beer","A Polyoxometalate Transfer Reagent: Synthesis, Structure, and Reactivity of Zirconocene Polyoxometalate [(PNbW11O40)2ZrCp2]6-","Journal of the American Chemical Society","1999","121","","8953","8954","10.1021/ja9905039","","","0.71073","MoKα","","0.1019","0.0818","","0.1783","0.1622","","","","1.132","1.161","1.161","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116545","12.2029","0.0015","7.5521","0.0012","25.833","0.003","90","0.015","98.344","0.012","90","0.011","2355.5","0.6","293","2","293","2","","","","","","","synthesis","3","P 1 21/n 1","-P 2yn","14","","4'',3'''-dimethyl-2,2':5,2'':5'',2''':5''',2'''':5'''',2'''''.- sexithiophene","","- C26 H18 S6 -","- C26 H18 S6 -","- C104 H72 S24 -","4","1","","Giovanna Barbarella; Massimo Zambianchi; Luciano Antolini; Paolo Ostoja; Piera Maccagnani; Alessandro Bongini; Elisabeth A. Marseglia; Emilio Tedesco; Giuseppe Gigli; Roberto Cingolani","Solid-State Conformation, Molecular Packing, and Electrical and Optical Properties of Processable β-Methylated Sexithiophenes","Journal of the American Chemical Society","1999","121","","8920","8926","10.1021/ja9916512","","","0.71069","MoKα","","0.1143","0.0629","","0.2011","0.1576","","","","1.032","1.083","1.083","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116546","42.629","0.003","7.7776","0.0005","7.8672","0.0009","90","0.008","98.036","0.007","90","0.007","2582.8","0.4","293","2","293","2","","","","","","","synthesis","3","C 1 2/c 1","-C 2yc","15","","4',3'',4''',3''''-tetramethyl-2,2':5,2'':5'',2''':5''',2'''':5'''',2'''''.- sexithiophene (monoclinic form)","","- C28 H22 S6 -","- C28 H22 S6 -","- C112 H88 S24 -","4","0.5","","Giovanna Barbarella; Massimo Zambianchi; Luciano Antolini; Paolo Ostoja; Piera Maccagnani; Alessandro Bongini; Elisabeth A. Marseglia; Emilio Tedesco; Giuseppe Gigli; Roberto Cingolani","Solid-State Conformation, Molecular Packing, and Electrical and Optical Properties of Processable β-Methylated Sexithiophenes","Journal of the American Chemical Society","1999","121","","8920","8926","10.1021/ja9916512","","","0.71069","MoKα","","0.0695","0.0479","","0.1632","0.1244","","","","1.053","1.052","1.052","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116547","7.595","0.002","7.68","0.002","11.438","0.003","99.47","0.02","91.62","0.02","107.08","0.02","627","0.3","293","2","293","2","","","","","","","synthesis","3","P -1","-P 1","2","","4',3'',4''',3''''-tetramethyl-2,2':5,2'':5'',2''':5''',2'''':5'''',2'''''.- sexithiophene (triclinic form) ?","","- C28 H22 S6 -","- C28 H22 S6 -","- C28 H22 S6 -","1","0.5","","Giovanna Barbarella; Massimo Zambianchi; Luciano Antolini; Paolo Ostoja; Piera Maccagnani; Alessandro Bongini; Elisabeth A. Marseglia; Emilio Tedesco; Giuseppe Gigli; Roberto Cingolani","Solid-State Conformation, Molecular Packing, and Electrical and Optical Properties of Processable β-Methylated Sexithiophenes","Journal of the American Chemical Society","1999","121","","8920","8926","10.1021/ja9916512","","","0.71069","MoKα","","0.0511","0.0388","","0.1165","0.0957","","","","1.053","1.072","1.072","","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4116548","16.037","0.005","24.02","0.006","17.81","0.003","90","","94.74","0.02","90","","6837","3","299.2","","299.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H156 Cl12 N12 O2 -","- C144 H156 Cl12 N12 O2 -","- C288 H312 Cl24 N24 O4 -","2","0.5","","Jun-ichiro Setsune; Yasuyuki Katakami; Noriko Iizuna","[48]Dodecaphyrin-(1.0.1.0.1.0.1.0.1.0.1.0) and [64]Hexadecaphyrin-(1.0.1.0.1.0.1.0.1.0.1.0.1.0.1.0): The Largest Cyclopolypyrroles","Journal of the American Chemical Society","1999","121","","8957","8958","10.1021/ja991669c","","","0.7107","MoKα","","","0.087","","","0.064","","","","","2.193","2.193","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116549","37.73","0.02","37.73","0.02","10.323","0.005","90","","90","","120","","12727","11","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","tetra(p-tolyl)porphyrin-Sn-(α-naphthoxy)2","","- C68 H50 N4 O2 Sn -","- C68 H50 N4 O2 Sn -","- C612 H450 N36 O18 Sn9 -","9","0.5","","Shai Nimri; Ehud Keinan","Antibody-Metalloporphyrin Catalytic Assembly Mimics Natural Oxidation Enzymes","Journal of the American Chemical Society","1999","121","","8978","8982","10.1021/ja990314q","","","0.71069","MoKα","","0.2851","0.0951","","","0.1714","0.2501","","","","","","0.962","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116550","33.441","0.004","10.835","0.0017","25.571","0.003","90","","120.65","0.06","90","","7971","5","150","","","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 Cl6 N8 O4 -","- C26 H32 Cl6 N8 O4 -","- C208 H256 Cl48 N64 O32 -","8","1","","Brigitte J. B. Folmer; Rint P. Sijbesma; Huub Kooijman; Anthony L. Spek; E. W. Meijer","Cooperative Dynamics in Duplexes of Stacked Hydrogen-Bonded Moieties","Journal of the American Chemical Society","1999","121","","9001","9007","10.1021/ja991409v","","","0.71073","MoKα","","0.0802","0.0705","","","0.1903","0.1977","","","","","","1.057","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116551","14.2449","0.0015","14.9691","0.0013","16.573","0.0015","111.565","0.007","91.186","0.008","97.456","0.007","3249.8","0.6","153","","","","","","","","","","see text","4","P -1","-P 1","2","","","","- C30 H44 N10 O6 -","- C30 H44 N10 O6 -","- C120 H176 N40 O24 -","4","2","","Brigitte J. B. Folmer; Rint P. Sijbesma; Huub Kooijman; Anthony L. Spek; E. W. Meijer","Cooperative Dynamics in Duplexes of Stacked Hydrogen-Bonded Moieties","Journal of the American Chemical Society","1999","121","","9001","9007","10.1021/ja991409v","","","0.71073","MoKα","","0.1158","0.0625","","","0.1442","0.1717","","","","","","1.01","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116552","13.7165","0.0003","14.8857","0.0002","16.5289","0.0004","104.403","0.001","109.278","0.001","107.093","0.001","2812.42","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","S2N3-TFA","","","- C58 H36 F15 N3 O10 S2 -","- C58 H36 F15 N3 O10 S2 -","- C116 H72 F30 N6 O20 S4 -","2","1","","Seenichamy Jeyaprakash Narayanan; Bashyam Sridevi; Tavarekere K. Chandrashekar; Ashwani Vij; Raja Roy","Novel Core-Modified Expanded Porphyrins with meso-Aryl Substituents: Synthesis, Spectral and Structural Characterization","Journal of the American Chemical Society","1999","121","","9053","9068","10.1021/ja991472k","","","0.71073","MoKα","","0.0931","0.0739","","","0.1784","0.1926","","","","","","1.197","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116553","29.0002","0.0006","15.0991","0.0004","11.9801","0.0003","90","","105.816","0.001","90","","5047.2","0.2","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","S2N4 Rubyrin","","","- C66 H44 N6 S2 -","- C66 H44 N6 S2 -","- C264 H176 N24 S8 -","4","0.5","","Seenichamy Jeyaprakash Narayanan; Bashyam Sridevi; Tavarekere K. Chandrashekar; Ashwani Vij; Raja Roy","Novel Core-Modified Expanded Porphyrins with meso-Aryl Substituents: Synthesis, Spectral and Structural Characterization","Journal of the American Chemical Society","1999","121","","9053","9068","10.1021/ja991472k","","","0.71073","MoKα","","0.0598","0.0444","","","0.1132","0.121","","","","","","1.045","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116554","16.8453","0.0003","17.1105","0.0002","21.2573","0.0003","91.248","0.001","112.815","0.001","90.368","0.001","5645.58","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Se2N4 Rubyrin","","","- C136 H99 N13 O11 Se4 -","- C136 H99 N13 O11 Se4 -","- C272 H198 N26 O22 Se8 -","2","1","","Seenichamy Jeyaprakash Narayanan; Bashyam Sridevi; Tavarekere K. Chandrashekar; Ashwani Vij; Raja Roy","Novel Core-Modified Expanded Porphyrins with meso-Aryl Substituents: Synthesis, Spectral and Structural Characterization","Journal of the American Chemical Society","1999","121","","9053","9068","10.1021/ja991472k","","","0.71073","MoKα","","0.1164","0.0768","","","0.2041","0.2207","","","","","","1.107","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116555","5.9753","0.0001","13.1916","0.0002","26.6852","0.0006","90","","94.272","0.001","90","","2097.58","0.07","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","SeTripyrrane","","","- C26 H22 N2 Se -","- C26 H22 N2 Se -","- C104 H88 N8 Se4 -","4","1","","Seenichamy Jeyaprakash Narayanan; Bashyam Sridevi; Tavarekere K. Chandrashekar; Ashwani Vij; Raja Roy","Novel Core-Modified Expanded Porphyrins with meso-Aryl Substituents: Synthesis, Spectral and Structural Characterization","Journal of the American Chemical Society","1999","121","","9053","9068","10.1021/ja991472k","","","0.71073","MoKα","","0.1007","0.0629","","","0.0903","0.0995","","","","","","1.121","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116556","18.6416","0.0002","18.8457","0.0004","24.151","0.0004","90","","90","","90","","8484.6","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C86 H74 Au4 F12 P6 S2 -","- C86 H74 Au4 F12 P6 S2 -","- C344 H296 Au16 F48 P24 S8 -","4","0.5","","Jinhua Chen; Tong Jiang; Gang Wei; Ahmed A. Mohamed; Craig Homrighausen; Jeanette A. Krause Bauer; Alice E. Bruce; Mitchell R. M. Bruce","Electrochemical and Chemical Oxidation of Gold(I) Thiolate Phosphine Complexes: Formation of Gold Clusters and Disulfide","Journal of the American Chemical Society","1999","121","","9225","9226","10.1021/ja991986j","","","0.71073","MoKα","","0.1492","0.0365","","0.0498","0.0376","","","","0.804","0.985","0.985","","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116557","14.0845","0.0003","13.2873","0.0002","19.6109","0.0003","90","","97.516","0.001","90","","3638.55","0.11","270","2","270","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H66 Au4 F12 O2 P6 S2 -","- C66 H66 Au4 F12 O2 P6 S2 -","- C132 H132 Au8 F24 O4 P12 S4 -","2","0.5","","Jinhua Chen; Tong Jiang; Gang Wei; Ahmed A. Mohamed; Craig Homrighausen; Jeanette A. Krause Bauer; Alice E. Bruce; Mitchell R. M. Bruce","Electrochemical and Chemical Oxidation of Gold(I) Thiolate Phosphine Complexes: Formation of Gold Clusters and Disulfide","Journal of the American Chemical Society","1999","121","","9225","9226","10.1021/ja991986j","","","0.71073","MoKα","","0.0999","0.053","","0.1476","0.1277","","","","1.002","1.135","1.135","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116558","11.0058","0.0008","12.615","0.001","18.518","0.002","101.804","0.009","100.032","0.007","98.682","0.008","2431.3","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Cs4(K-crypt)2[(Ge9)-(Ge9)](en)6","","- C24 H60 Cs2 Ge9 K N8 O6 -","- C24 H60 Cs2 Ge9 K N8 O6 -","- C48 H120 Cs4 Ge18 K2 N16 O12 -","2","1","","Li Xu; Slavi C. Sevov","Oxidative Coupling of Deltahedral [Ge9]4- Zintl Ions","Journal of the American Chemical Society","1999","121","","9245","9246","10.1021/ja992269s","","","0.71073","MoKα","","0.0828","0.0558","","","0.1536","0.1722","","","","","","1.036","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116559","13.2949","0.0005","13.2949","0.0005","61.02","0.003","90","","90","","120","","9340.6","0.7","200","","","","","","","","","","","8","R -3 :H","-R 3","148","","{4,4',4""-[nitrilotris-[2,1-ethanediyl(N-methylcarboxamido)]]tris[2-(6-N,N diethylcarboxamidopyridine)]} Europium(III) tris(trifluoromethanesulfonate)- hexafluorophosphate hemi acetonitrile.","","- C46 H62.5 Eu F15 N10.5 O15 P S3 -","- C46 H61 Eu F15.001 N10.5 O15 P S3 -","- C276 H366 Eu6 F90.006 N63 O90 P6 S18 -","6","0.333333","","Fabien Renaud; Claude Piguet; Gérald Bernardinelli; Jean-Claude Bünzli; Gérard Hopfgartner","Nine-Coordinate Lanthanide Podates with Predetermined Structural and Electronic Properties: Facial Organization of Unsymmetrical Tridentate Binding Units by a Protonated Covalent Tripod","Journal of the American Chemical Society","1999","121","","9326","9342","10.1021/ja990898w","","","1.54183","CuKα","","","0.065","","","","0.062","","","","","","2.687","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116560","10.156","0.001","10.435","0.001","16.845","0.002","83.97","0.02","75.47","0.02","69.06","0.02","1613.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H47 Cu N3 O2 -","- C36 H47 Cu N3 O2 -","- C72 H94 Cu2 N6 O4 -","2","1","","Phalguni Chaudhuri; Martina Hess; Jochen Müller; Knut Hildenbrand; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Aerobic Oxidation of Primary Alcohols (Including Methanol) by Copper(II)- and Zinc(II)-Phenoxyl Radical Catalysts","Journal of the American Chemical Society","1999","121","","9599","9610","10.1021/ja991481t","","","0.71073","MoKα","","0.0716","0.0455","","0.1102","0.1019","","","","0.954","1.04","1.04","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116561","10.173","0.001","10.44","0.001","16.856","0.002","83.95","0.02","75.41","0.02","69.11","0.02","1618.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H47 N3 O2 Zn -","- C36 H47 N3 O2 Zn -","- C72 H94 N6 O4 Zn2 -","2","1","","Phalguni Chaudhuri; Martina Hess; Jochen Müller; Knut Hildenbrand; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Aerobic Oxidation of Primary Alcohols (Including Methanol) by Copper(II)- and Zinc(II)-Phenoxyl Radical Catalysts","Journal of the American Chemical Society","1999","121","","9599","9610","10.1021/ja991481t","","","0.71073","MoKα","","0.0794","0.0483","","0.1214","0.1111","","","","1.04","1.134","1.134","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116562","13.483","0.003","11.304","0.004","16.667","0.002","90","","113.28","0.01","90","","2333.4","1","150.2","","150.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H40 Si5 -","- C16 H40 Si5 -","- C64 H160 Si20 -","4","1","","Mitsuo Kira; Shintaro Ishida; Takeaki Iwamoto; Chizuko Kabuto","The First Isolable Dialkylsilylene","Journal of the American Chemical Society","1999","121","","9722","9723","10.1021/ja9925305","","","0.7107","MoKα","","0.034","0.034","","","0.0359","0.0358","","","","","","2.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116563","9.718","0.002","10.116","0.002","10.318","0.002","77.67","0.02","69.64","0.02","88.51","0.02","927.7","0.4","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H60 Ga K N2 O8 -","- C30 H60 Ga K N2 O8 -","- C30 H60 Ga K N2 O8 -","1","0.5","","Eva S. Schmidt; Alexander Jockisch; Hubert Schmidbaur","A Carbene Analogue with Low-Valent Gallium as a Heteroatom in a quasi-Aromatic Imidazolate Anion","Journal of the American Chemical Society","1999","121","","9758","9759","10.1021/ja9928780","","","0.71073","MoKα","","0.0717","0.0336","","","0.0751","0.0857","","","","","","1.017","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116564","61.445","0.013","10.441","0.001","29.371","0.01","90","","101.45","0.01","90","","18468","8","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H40 Cl2 Ga2 N4 -","- C20 H40 Cl2 Ga2 N4 -","- C560 H1120 Cl56 Ga56 N112 -","28","3.5","","Eva S. Schmidt; Alexander Jockisch; Hubert Schmidbaur","A Carbene Analogue with Low-Valent Gallium as a Heteroatom in a quasi-Aromatic Imidazolate Anion","Journal of the American Chemical Society","1999","121","","9758","9759","10.1021/ja9928780","","","0.71073","MoKα","","0.1172","0.0615","","","0.1286","0.1436","","","","","","1.056","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116565","9.1858","0.0002","11.7879","0.0002","12.4318","0.0002","90","","102.651","0.001","90","","1313.45","0.04","171","2","171","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Heiko Weiner; Richard G. Finke","An All-Inorganic, Polyoxometalate-Based Catechol Dioxygenase That Exhibits > 100000 Catalytic Turnovers","Journal of the American Chemical Society","1999","121","","9831","9842","10.1021/ja991503b","","","0.71073","MoKα","","0.0777","0.051","","0.1285","0.1132","","","","1.01","1.044","1.044","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116566","10.694","0.0008","10.0875","0.0008","11.8878","0.0009","90","","106.054","0.001","90","","1232.39","0.16","162","2","162","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O2 -","- C13 H20 O2 -","- C52 H80 O8 -","4","1","","Heiko Weiner; Richard G. Finke","An All-Inorganic, Polyoxometalate-Based Catechol Dioxygenase That Exhibits > 100000 Catalytic Turnovers","Journal of the American Chemical Society","1999","121","","9831","9842","10.1021/ja991503b","","","0.71073","MoKα","","0.0859","0.0508","","0.1397","0.1215","","","","1.011","1.084","1.084","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116567","9.7459","0.0007","22.702","0.002","12.0229","0.0009","90","","98.142","0.002","90","","2633.3","0.4","165","2","165","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 O4 -","- C28 H40 O4 -","- C112 H160 O16 -","4","1","","Heiko Weiner; Richard G. Finke","An All-Inorganic, Polyoxometalate-Based Catechol Dioxygenase That Exhibits > 100000 Catalytic Turnovers","Journal of the American Chemical Society","1999","121","","9831","9842","10.1021/ja991503b","","","0.71073","MoKα","","0.2233","0.0876","","0.2172","0.153","","","","0.928","1.028","1.028","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116568","10.4909","0.0001","10.0974","0.0002","13.4891","0.0001","90","","103.372","0.002","90","","1390.17","0.03","164","2","164","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Heiko Weiner; Richard G. Finke","An All-Inorganic, Polyoxometalate-Based Catechol Dioxygenase That Exhibits > 100000 Catalytic Turnovers","Journal of the American Chemical Society","1999","121","","9831","9842","10.1021/ja991503b","","","0.71073","MoKα","","0.1194","0.0532","","0.1383","0.1136","","","","0.917","1.057","1.057","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116569","14.9812","0.0003","16.4516","0.0004","19.8007","0.0004","105.631","0.001","92.076","0.001","109.402","0.001","4390.13","0.17","188","2","188","2","","","","","","","","5","P -1","-P 1","2","[Fe(m-O2CArTol)4(4-tBuC5H4N)2]","","","- C108 H100 Fe2 N2 O8 -","- C108 H100 Fe2 N2 O8 -","- C216 H200 Fe4 N4 O16 -","2","1","","Dongwhan Lee; J. Du Bois; Doros Petasis; Michael P. Hendrich; Carsten Krebs; Boi Hanh Huynh; Stephen J. Lippard","Formation of Fe(III)Fe(IV) Species from the Reaction between a Diiron(II) Complex and Dioxygen: Relevance to Ribonucleotide Reductase Intermediate X","Journal of the American Chemical Society","1999","121","","9893","9894","10.1021/ja9923686","","","0.71073","MoKα","","0.1988","0.0645","","","0.146","0.2116","","","","","","0.77","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116570","14.7583","0.0008","14.9097","0.0008","24.8019","0.0014","91.95","0.001","93.961","0.001","110.962","0.001","5074","0.5","188","2","188","2","","","","","","","","6","P -1","-P 1","2","[Fe2(m-OH)2(m-O2CArTol)2(O2CArTol)2(4-tBuC5H4N2)]","","","- C109.5 H96 Cl6.6 Fe2 N2 O10 -","- C109.075 H96 Cl6.762 Fe2 N2 O10 -","- C218.15 H192 Cl13.524 Fe4 N4 O20 -","2","1","","Dongwhan Lee; J. Du Bois; Doros Petasis; Michael P. Hendrich; Carsten Krebs; Boi Hanh Huynh; Stephen J. Lippard","Formation of Fe(III)Fe(IV) Species from the Reaction between a Diiron(II) Complex and Dioxygen: Relevance to Ribonucleotide Reductase Intermediate X","Journal of the American Chemical Society","1999","121","","9893","9894","10.1021/ja9923686","","","0.71073","MoKα","","0.1143","0.0664","","","0.1755","0.2002","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116571","10.536","0.002","20.451","0.004","27.557","0.006","90","","90","","90","","5938","2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","g-lactam 4","3S-Hydroxy-2R-(1S-hydroxy-2-methyl-propyl)-4R-n-propyl-5- oxo-pyrrolidine-2-carboxylic acid methyl ester","","- C13 H23 N O5 -","- C13 H23 N O5 -","- C208 H368 N16 O80 -","16","4","","François Soucy; Louis Grenier; Mark L. Behnke; Antonia T. Destree; Teresa A. McCormack; Julian Adams; Louis Plamondon","A Novel and Efficient Synthesis of a Highly Active Analogue of clasto-Lactacystin β-Lactone","Journal of the American Chemical Society","1999","121","","9967","9976","10.1021/ja991175f","","","0.71073","MoKα","","0.1156","0.0736","","","0.1714","0.1957","","","","","","1.026","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116572","18.1764","0.0007","24.2486","0.0009","26.3578","0.001","90","","101.013","0.001","90","","11403.3","0.7","293","2","138","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","1","","","- C128 H78 Au2 Cl5.5 N6 O12 P6 Tl -","- C128 H78 Au2 Cl5.5 N6 O12 P6 Tl -","- C512 H312 Au8 Cl22 N24 O48 P24 Tl4 -","4","1","","Vincent J. Catalano; Byron L. Bennett; Heidi M. Kar; Bruce C. Noll","Synthesis and Characterization of Trigonal Gold(I) Cage Complexes: Luminescent Metallocryptates Encapsulating Tl(I) and Na+ Ions","Journal of the American Chemical Society","1999","121","","10235","10236","10.1021/ja991982e","","","0.71073","MoKα","","0.1594","0.0671","","","0.1123","0.1345","","","","","","0.992","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116573","18.4038","0.0018","24.336","0.003","27.089","0.002","90","","101.394","0.006","90","","11893","2","138","2","138","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","2","","","- C125.5 H78 Au2 Cl2 F18 N6 Na O2 P9 -","- C125.5 H78 Au2 Cl2 F18 N6 Na O2 P9 -","- C502 H312 Au8 Cl8 F72 N24 Na4 O8 P36 -","4","1","","Vincent J. Catalano; Byron L. Bennett; Heidi M. Kar; Bruce C. Noll","Synthesis and Characterization of Trigonal Gold(I) Cage Complexes: Luminescent Metallocryptates Encapsulating Tl(I) and Na+ Ions","Journal of the American Chemical Society","1999","121","","10235","10236","10.1021/ja991982e","","","0.71073","MoKα","","0.0974","0.0547","","","0.1349","0.152","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116574","33.03","0.005","15.798","0.003","23.331","0.006","90","","129.357","0.012","90","","9413","4","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","AuMacrocycle","","","- C88 H52 Au2 Cl3 F12 N4 O P6 -","- C88 H52 Au2 Cl3 F12 N4 O P6 -","- C352 H208 Au8 Cl12 F48 N16 O4 P24 -","4","0.5","","Vincent J. Catalano; Byron L. Bennett; Heidi M. Kar; Bruce C. Noll","Synthesis and Characterization of Trigonal Gold(I) Cage Complexes: Luminescent Metallocryptates Encapsulating Tl(I) and Na+ Ions","Journal of the American Chemical Society","1999","121","","10235","10236","10.1021/ja991982e","","","0.71073","MoKα","","0.1517","0.0742","","","0.1688","0.2041","","","","","","1.048","","","","has coordinates,has disorder","286259","2023-09-07","06:04:40",""
"4116575","12.39","0.002","11.8747","0.0008","18.655","0.002","90","","91.79","0.01","90","","2743.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","[3,6-di-tert-butyl-9,10-dimethylbicyclo[6.3.0]undec-4-en-(5-1,8- 11-dienyl)][ 3: 4-1,2-dimethyl-3,4- dimethylenecyclopentenyl]titanium(II)","","- C30 H44 Ti -","- C30 H44 Ti -","- C120 H176 Ti4 -","4","1","","Michal Horáček; Petr Štěpnička; Róbert Gyepes; Ivana Císařová; Miroslav Polášek; Karel Mach; Paul-Michael Pellny; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Novel Addition Reactions of 2,2,7,7-Tetramethyl-3,5-octadiyne to the Methyl Groups of a η5-Pentamethylcyclopentadienyl Ligand","Journal of the American Chemical Society","1999","121","","10638","10639","10.1021/ja991299s","","","0.71069","MoKα","","0.0726","0.0409","","","0.1053","0.1175","","","","","","1.032","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116576","11.0367","0.0004","11.0367","0.0004","30.4227","0.0014","90","","90","","120","","3209.3","0.2","188","2","188","2","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","[Fe(TC-5,5)] (1)","","","- C24 H30 Fe N4 -","- C24 H30 Fe N4 -","- C144 H180 Fe6 N24 -","6","0.5","","Katherine J. Franz; Stephen J. Lippard","NO Disproportionation Reactivity of Fe Tropocoronand Complexes","Journal of the American Chemical Society","1999","121","","10504","10512","10.1021/ja991664f","","","0.71073","MoKα","","0.0879","0.0796","","","0.147","0.1495","","","","","","1.387","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116577","15.4688","0.0002","9.4959","0.0002","18.5944","0.0002","90","","113.551","0.001","90","","2503.83","0.07","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Fe(OTf)(TC-5,5)] (2)","","","- C25 H30 F3 Fe N4 O3 S -","- C25 H30 F3 Fe N4 O3 S -","- C100 H120 F12 Fe4 N16 O12 S4 -","4","1","","Katherine J. Franz; Stephen J. Lippard","NO Disproportionation Reactivity of Fe Tropocoronand Complexes","Journal of the American Chemical Society","1999","121","","10504","10512","10.1021/ja991664f","","","0.71073","MoKα","","0.097","0.0623","","","0.1434","0.1556","","","","","","1.096","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116578","9.21","0.003","10.096","0.005","23.334","0.008","90","","94.58","0.03","90","","2162.8","1.5","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Fe(NO)(TC-5,5)] (3)","","","- C24 H30 Fe N5 O -","- C24 H30 Fe N5 O -","- C96 H120 Fe4 N20 O4 -","4","1","","Katherine J. Franz; Stephen J. Lippard","NO Disproportionation Reactivity of Fe Tropocoronand Complexes","Journal of the American Chemical Society","1999","121","","10504","10512","10.1021/ja991664f","","","0.71073","MoKα","","0.1082","0.0608","","","0.1768","0.1925","","","","","","1.095","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116579","8.503","0.001","9.847","0.001","15.009","0.001","90","","100.17","0.03","90","","1236.9","0.2","150","0.1","150","0.1","","","","","","","hydrothermal synthesis","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H18 F4 N2 O5 U -","- C4 H12 F4 N2 O5 U -","- C16 H48 F16 N8 O20 U4 -","4","1","","Susan M. Walker; P. Shiv Halasyamani; Simon Allen; Dermot O'Hare","From Molecules to Frameworks: Variable Dimensionality in the UO2(CH3COO)2.2H2O/HF(aq)/Piperazine System. Syntheses, Structures, and Characterization of Zero-Dimensional (C4N2H12)UO2F4.3H2O, One-Dimensional (C4N2H12)2U2F12.H2O, Two-Dimensional (C4N2H12)2(U2O4F5)4.11H2O, and Three-Dimensional (C4N2H12)U2O4F6","Journal of the American Chemical Society","1999","121","","10513","10521","10.1021/ja992145f","","","0.71073","MoKα","","0.0363","0.0335","","0.085","0.0832","","","","1.042","1.048","1.048","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116580","11.983","0.001","8.751","0.001","6.412","0.001","91.53","0.004","112.143","0.004","98.444","0.003","613.57","0.13","200","0.2","150","0.2","","","","","","","hydrothermal synthesis","6","P -1","-P 1","2","","","","- C4 H18 F4 N2 O5 U -","- C4 H12 F4 N2 O5 U -","- C8 H24 F8 N4 O10 U2 -","2","1","","Susan M. Walker; P. Shiv Halasyamani; Simon Allen; Dermot O'Hare","From Molecules to Frameworks: Variable Dimensionality in the UO2(CH3COO)2.2H2O/HF(aq)/Piperazine System. Syntheses, Structures, and Characterization of Zero-Dimensional (C4N2H12)UO2F4.3H2O, One-Dimensional (C4N2H12)2U2F12.H2O, Two-Dimensional (C4N2H12)2(U2O4F5)4.11H2O, and Three-Dimensional (C4N2H12)U2O4F6","Journal of the American Chemical Society","1999","121","","10513","10521","10.1021/ja992145f","","","0.71073","MoKα","","0.0472","0.0438","","0.1173","0.1147","","","","1.016","1.036","1.036","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116581","13.017","0.001","12.379","0.001","6.651","0.001","90","","107.68","0.01","90","","1021.1","0.2","150","0.1","150","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8 H26 F12 N4 O U2 -","- C8 H24 F12 N4 O U2 -","- C16 H48 F24 N8 O2 U4 -","2","0.25","","Susan M. Walker; P. Shiv Halasyamani; Simon Allen; Dermot O'Hare","From Molecules to Frameworks: Variable Dimensionality in the UO2(CH3COO)2.2H2O/HF(aq)/Piperazine System. Syntheses, Structures, and Characterization of Zero-Dimensional (C4N2H12)UO2F4.3H2O, One-Dimensional (C4N2H12)2U2F12.H2O, Two-Dimensional (C4N2H12)2(U2O4F5)4.11H2O, and Three-Dimensional (C4N2H12)U2O4F6","Journal of the American Chemical Society","1999","121","","10513","10521","10.1021/ja992145f","","","0.71073","MoKα","","0.0299","0.0293","","","0.0793","0.0798","","","","","","1.208","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116582","17.309","0.005","12.092","0.005","24.399","0.007","90","","90.47","0.02","90","","5107","3","150","0.2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H46 F20 N4 O27 U8 -","- C8 H24 F20 N4 O27 U8 -","- C32 H96 F80 N16 O108 U32 -","4","1","","Susan M. Walker; P. Shiv Halasyamani; Simon Allen; Dermot O'Hare","From Molecules to Frameworks: Variable Dimensionality in the UO2(CH3COO)2.2H2O/HF(aq)/Piperazine System. Syntheses, Structures, and Characterization of Zero-Dimensional (C4N2H12)UO2F4.3H2O, One-Dimensional (C4N2H12)2U2F12.H2O, Two-Dimensional (C4N2H12)2(U2O4F5)4.11H2O, and Three-Dimensional (C4N2H12)U2O4F6","Journal of the American Chemical Society","1999","121","","10513","10521","10.1021/ja992145f","","","0.71073","MoKα","","0.0841","0.0576","","0.1619","0.1552","","","","1.063","1.238","1.238","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116583","9.108","0.001","10.059","0.001","13.633","0.001","90","","97.023","0.001","90","","1239.6","0.2","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 F6 N2 O4 U2 -","- C4 F6 N1.99 O4 U2 -","- C16 F24 N7.96 O16 U8 -","4","0.5","","Susan M. Walker; P. Shiv Halasyamani; Simon Allen; Dermot O'Hare","From Molecules to Frameworks: Variable Dimensionality in the UO2(CH3COO)2.2H2O/HF(aq)/Piperazine System. Syntheses, Structures, and Characterization of Zero-Dimensional (C4N2H12)UO2F4.3H2O, One-Dimensional (C4N2H12)2U2F12.H2O, Two-Dimensional (C4N2H12)2(U2O4F5)4.11H2O, and Three-Dimensional (C4N2H12)U2O4F6","Journal of the American Chemical Society","1999","121","","10513","10521","10.1021/ja992145f","","","0.71073","MoKα","","0.0409","0.0405","","0.1053","0.1051","","","","1.313","1.314","1.314","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116584","8.1477","0.0007","13.8943","0.0012","10.1659","0.0009","90","","109.454","0.01","90","","1085.14","0.18","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","dihydride-triisopropylphosphine-1,3,5-trimethylbenzene-iridium(III) tetrafluoro borate","","- C18 H35 B F4 Ir P -","- C18 H35 B F4 Ir P -","- C36 H70 B2 F8 Ir2 P2 -","2","1","","Francisco Torres; Eduardo Sola; Marta Martín; José A. López; Fernando J. Lahoz; Luis A. Oro","C-H Bond Activations by New Labile η6-Arene Complexes of Iridium","Journal of the American Chemical Society","1999","121","","10632","10633","10.1021/ja9923890","","","0.71073","MoKα","","0.0367","0.0345","","","0.0816","0.0833","","","","","","1.079","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116585","4.9028","0.0004","14.349","0.001","16.165","0.002","90","","90","","90","","1137.21","0.19","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N O3 -","- C11 H16 N O3 -","- C44 H64 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1001","0.0659","","","0.1641","0.1847","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116586","8.2686","0.0008","9.2367","0.0009","17.212","0.002","90","","90","","90","","1314.6","0.2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1064","0.0408","","","0.0507","0.0581","","","","","","0.989","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116587","7.9966","0.0003","9.443","0.0004","19.1856","0.0008","90","","90","","90","","1448.74","0.1","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0481","0.0404","","","0.1063","0.1106","","","","","","1.063","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116588","8.1179","0.0004","23.51","0.001","9.4519","0.0005","90","","92.719","0.001","90","","1801.88","0.15","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","2","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0575","0.0405","","","0.0887","0.0953","","","","","","1.009","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116589","16.277","0.002","30.993","0.004","10.906","0.001","90","","90","","90","","5501.8","1.1","213","2","213","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C224 H336 N16 O48 -","16","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1056","0.0434","","","0.0581","0.0641","","","","","","1.139","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116590","12.3563","0.0002","5.3759","0.0003","13.1034","0.0007","90","","111.416","0.003","90","","810.31","0.07","213","2","213","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O6 -","- C17.001 H18 O6 -","- C34.002 H36 O12 -","2","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0666","0.0411","","","0.093","0.0986","","","","","","1.006","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116591","6.2147","0.0002","15.7066","0.0005","16.6334","0.0002","90","","90","","90","","1623.62","0.08","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0809","0.0589","","","0.1505","0.1643","","","","","","1.043","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116592","4.938","0.0004","15.519","0.001","16.645","0.001","90","","90","","90","","1275.55","0.15","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C48 H76 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1249","0.0657","","","0.136","0.1624","","","","","","1.009","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116593","11.715","0.003","4.965","0.001","12.921","0.004","90","","96.798","0.005","90","","746.3","0.3","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C28 H42 N2 O10 -","2","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1135","0.0736","","","0.1834","0.212","","","","","","1.031","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116594","8.1709","0.0004","9.6189","0.0004","8.9825","0.0001","90","","96.239","0.002","90","","701.8","0.05","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C26 H38 N2 O10 -","2","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0442","0.0371","","","0.09","0.0921","","","","","","1.03","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116595","15.629","0.004","8.23","0.002","9.739","0.002","90","","94.815","0.005","90","","1248.3","0.5","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C48 H76 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1135","0.0527","","","0.0834","0.0975","","","","","","1.039","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116596","16.9921","0.0006","18.2387","0.0008","5.915","0.0003","90","","90","","90","","1833.14","0.14","213","2","213","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C20 H27 N O3 -","- C20 H27 N O3 -","- C80 H108 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1295","0.0553","","","0.1114","0.1287","","","","","","1.064","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116597","5.1736","0.0002","12.1557","0.0006","22.513","0.001","90","","90","","90","","1415.81","0.11","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N O3 -","- C16 H18 N O3 -","- C64 H72 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0936","0.0438","","","0.0782","0.0841","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116598","7.958","0.0004","9.2646","0.0005","25.971","0.001","90","","90","","90","","1914.78","0.16","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1219","0.0399","","","0.0536","0.06","","","","","","1.039","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116599","14.555","0.002","14.555","0.002","11.446","0.002","90","","90","","120","","2099.9","0.5","173","2","293","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C24 H54 N8 -","- C24 H36 N8 -","- C72 H108 N24 -","3","0.333333","","Jineun Kim; Andrew S. Ichimura; Rui H. Huang; Mikhail Redko; Richard C. Phillips; James E. Jackson; James L. Dye","Crystalline Salts of Na-and K-(Alkalides) that Are Stable at Room Temperature","Journal of the American Chemical Society","1999","121","","10666","10667","10.1021/ja992667v","","","0.71073","MoKα","","0.0837","0.072","","0.2505","0.2299","","","","0.982","1.003","1.003","","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116600","17.815","0.004","16.942","0.003","23.136","0.005","90","","90","","90","","6983","3","173","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H59 I K N8 O -","- C26 H60 I K N8 O -","- C208 H480 I8 K8 N64 O8 -","8","1","","Jineun Kim; Andrew S. Ichimura; Rui H. Huang; Mikhail Redko; Richard C. Phillips; James E. Jackson; James L. Dye","Crystalline Salts of Na-and K-(Alkalides) that Are Stable at Room Temperature","Journal of the American Chemical Society","1999","121","","10666","10667","10.1021/ja992667v","","","0.71073","MoKα","","0.0788","0.0521","","0.1271","0.1147","","","","1.036","1.09","1.09","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116601","26.388","0.004","26.388","","26.388","","90","","90","","90","","18375","3","183.2","","183.2","","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C26.33 H53.33 Cl8 O28 P4 Pt4 S8 -","- C29 Cl8 O16 P4 Pt4 S8 -","- C348 Cl96 O192 P48 Pt48 S96 -","12","0.25","","Tadashi Yamaguchi; Haruko Saito; Taro Maki; Tasuku Ito","Syntheses and Structures of Bridge and Chelate Isomers of Tetraplatinum(II) Cluster Complex with Diethyldithiophosphate Ion (Et2dtp) at In-Plane Sites, [Pt4(CH3COO)4(Et2dtp)4], and Their Mutual Isomerization via Cluster Core Rotation","Journal of the American Chemical Society","1999","121","","10738","10742","10.1021/ja990596u","","","0.7107","MoKα","","","0.0461","","","","0.0444","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116602","12.794","0.008","24.99","0.003","14.927","0.003","90","","90","","90","","4772","3","183.2","","183.2","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H52 O16 P4 Pt4 S8 -","- C24 O16 P4 Pt4 S8 -","- C96 O64 P16 Pt16 S32 -","4","0.5","","Tadashi Yamaguchi; Haruko Saito; Taro Maki; Tasuku Ito","Syntheses and Structures of Bridge and Chelate Isomers of Tetraplatinum(II) Cluster Complex with Diethyldithiophosphate Ion (Et2dtp) at In-Plane Sites, [Pt4(CH3COO)4(Et2dtp)4], and Their Mutual Isomerization via Cluster Core Rotation","Journal of the American Chemical Society","1999","121","","10738","10742","10.1021/ja990596u","","","0.7107","MoKα","","","0.0342","","","","0.0374","","","","","","1.477","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116603","10.096","0.004","11.802","0.004","12.42","0.01","90","","108.74","0.06","90","","1401.4","1.4","296","","296","","","","","","","","electrochemical oxidation","4","C 1 2/m 1","-C 2y","12","Ni(ptdt)2 296K","","","- C18 H12 Ni S16 -","- C15 H10 Ni0.25 S16 -","- C30 H20 Ni0.5 S32 -","2","0.25","","Akiko Kobayashi; Hisashi Tanaka; Mieko Kumasaki; Hajime Torii; Bakhyt Narymbetov; Takahumi Adachi","Origin of the High Electrical Conductivity of Neutral [Ni(ptdt)2] (ptdt2-= propylenedithiotetrathiafulvalenedithiolate): A Route to Neutral Molecular Metal","Journal of the American Chemical Society","1999","121","","10763","10771","10.1021/ja9921017","","","0.7107","MoKα","","","0.0873","","","0.1498","","","","","0.14","0.14","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116604","10.058","0.006","11.728","0.006","12.16","0.01","90","","108.11","0.06","90","","1363.3","1.6","90","","90","","","","","","","","electrochemical oxidation","4","C 1 2/m 1","-C 2y","12","Ni(ptdt)2 90K","","","- C18 H12 Ni S16 -","- C15 H10 Ni0.25 S16 -","- C30 H20 Ni0.5 S32 -","2","0.25","","Akiko Kobayashi; Hisashi Tanaka; Mieko Kumasaki; Hajime Torii; Bakhyt Narymbetov; Takahumi Adachi","Origin of the High Electrical Conductivity of Neutral [Ni(ptdt)2] (ptdt2-= propylenedithiotetrathiafulvalenedithiolate): A Route to Neutral Molecular Metal","Journal of the American Chemical Society","1999","121","","10763","10771","10.1021/ja9921017","","","0.7107","MoKα","","","0.0904","","","0.1667","","","","","0.148","0.148","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116605","14.003","0.003","15.695","0.003","12.6","0.004","98.56","0.02","96.49","0.02","69.32","0.02","2556.4","1.2","288.2","","288.2","","","","","","","","","8","P -1","-P 1","2","","","","- C41 H42 Cl6 Cu2 F12 N6 O2 P2 -","- C41 H40 Cl6.01 Cu2 F12 N6 O2 P2 -","- C82 H80 Cl12.02 Cu4 F24 N12 O4 P4 -","2","1","","Masahito Kodera; Kou Katayama; Yoshimitsu Tachi; Koji Kano; Shun Hirota; Shuhei Fujinami; Masatatu Suzuki","Crystal Structure and Reversible O2-Binding of a Room Temperature Stable μ-η2:η2-Peroxodicopper(II) Complex of a Sterically Hindered Hexapyridine Dinucleating Ligand","Journal of the American Chemical Society","1999","121","","11006","11007","10.1021/ja992295q","","","0.7107","MoKα","","","0.0799","","","0.1137","","","","","1.625","1.625","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116606","16.0292","0.0004","19.0713","0.0006","16.8933","0.0005","90","","111.288","0.002","90","","4811.9","0.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 N6 O4 -","- C56 H58 N6 O4 -","- C224 H232 N24 O16 -","4","1","","Pavel Anzenbacher; Karolina Jursíková; Vincent M. Lynch; Philip A. Gale; Jonathan L. Sessler","Calix[4]pyrroles Containing Deep Cavities and Fixed Walls. Synthesis, Structural Studies, and Anion Binding Properties of the Isomeric Products Derived from the Condensation of p-Hydroxyacetophenone and Pyrrole","Journal of the American Chemical Society","1999","121","","11020","11021","10.1021/ja993195n","","","0.71073","MoKα","","0.0787","0.049","","0.1141","0.0991","","","","1.03","1.068","1.068","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116607","10.882","0.0005","20.205","0.0006","19.74","0.0006","90","","105.134","0.002","90","","4189.7","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 N4 O6 -","- C50 H51 N4 O6 -","- C200 H204 N16 O24 -","4","1","","Pavel Anzenbacher; Karolina Jursíková; Vincent M. Lynch; Philip A. Gale; Jonathan L. Sessler","Calix[4]pyrroles Containing Deep Cavities and Fixed Walls. Synthesis, Structural Studies, and Anion Binding Properties of the Isomeric Products Derived from the Condensation of p-Hydroxyacetophenone and Pyrrole","Journal of the American Chemical Society","1999","121","","11020","11021","10.1021/ja993195n","","","0.71073","MoKα","","0.1005","0.0582","","0.1288","0.1107","","","","1.079","1.152","1.152","","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116608","9.453","0.0003","14.998","0.0005","14.672","0.0005","90","","102.922","0.002","90","","2027.46","0.12","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 N4 O4 -","- C50 H52 N4 O6 -","- C100 H104 N8 O12 -","2","0.5","","Pavel Anzenbacher; Karolina Jursíková; Vincent M. Lynch; Philip A. Gale; Jonathan L. Sessler","Calix[4]pyrroles Containing Deep Cavities and Fixed Walls. Synthesis, Structural Studies, and Anion Binding Properties of the Isomeric Products Derived from the Condensation of p-Hydroxyacetophenone and Pyrrole","Journal of the American Chemical Society","1999","121","","11020","11021","10.1021/ja993195n","","","0.71073","MoKα","","0.0845","0.0486","","0.1152","0.0985","","","","0.985","1.031","1.031","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116609","11.1593","0.0004","11.2873","0.0004","25.7805","0.0007","90","","92.901","0.002","90","","3243.11","0.19","153","2","153","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C70 H95 F N6 O6 -","- C70 H95 F N6 O6 -","- C140 H190 F2 N12 O12 -","2","1","","Pavel Anzenbacher; Karolina Jursíková; Vincent M. Lynch; Philip A. Gale; Jonathan L. Sessler","Calix[4]pyrroles Containing Deep Cavities and Fixed Walls. Synthesis, Structural Studies, and Anion Binding Properties of the Isomeric Products Derived from the Condensation of p-Hydroxyacetophenone and Pyrrole","Journal of the American Chemical Society","1999","121","","11020","11021","10.1021/ja993195n","","","0.71073","MoKα","","0.1389","0.0785","","0.1751","0.1492","","","","1.063","1.152","1.152","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116610","10.435","0.002","20.878","0.003","24.207","0.003","68.4","0.1","89.1","0.1","82.8","0.1","4862","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ac-TOAC-(Aib)2-TOAC-Aib-OtBu dihydrate","","- C38 H71 N7 O11 -","- C38 H71 N7 O11 -","- C152 H284 N28 O44 -","4","2","","Alessandra Polese; D. Joe Anderson; Glenn Millhauser; Fernando Formaggio; Marco Crisma; Fernando Marchiori; Claudio Toniolo","First Interchain Peptide Interaction Detected by ESR in Fully Synthetic, Template-Assisted, Two-Helix Bundles","Journal of the American Chemical Society","1999","121","","11071","11078","10.1021/ja992079h","","","1.54178","CuKα","","0.1749","0.0834","","","0.2063","0.2472","","","","","","0.896","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116611","17.7526","0.0003","21.1054","0.0004","17.8629","0.0002","90","","104.505","0.001","90","","6479.47","0.18","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Ca H100 N13 O134 P5 W30 -","- Ca O147 P5 W30 -","- Ca2 O294 P10 W60 -","2","0.5","","Kee-Chan Kim; Michael T. Pope; Gennaro J. Gama; Michael H. Dickman","Slow Proton Exchange in Aqueous Solution. Consequences of Protonation and Hydration within the Central Cavity of Preyssler Anion Derivatives, [|M(H2O)|@P5W30O110]n-","Journal of the American Chemical Society","1999","121","","11164","11170","10.1021/ja992105b","","","0.71073","MoKα","","0.1132","0.084","","","0.2179","0.2382","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116612","17.4987","0.0002","21.5054","0.0003","17.5497","0.0001","90","","104.808","0.001","90","","6384.9","0.12","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Ca H94 K5 O153 P5 W30 -","- Ca K5 O153 P5 W30 -","- Ca2 K10 O306 P10 W60 -","2","0.5","","Kee-Chan Kim; Michael T. Pope; Gennaro J. Gama; Michael H. Dickman","Slow Proton Exchange in Aqueous Solution. Consequences of Protonation and Hydration within the Central Cavity of Preyssler Anion Derivatives, [|M(H2O)|@P5W30O110]n-","Journal of the American Chemical Society","1999","121","","11164","11170","10.1021/ja992105b","","","0.71073","MoKα","","0.0862","0.0589","","","0.1463","0.1632","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116613","16.9079","0.0006","20.9669","0.0007","17.8737","0.0006","90","","113.786","0.001","90","","5798.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- H50 K3 O131 P5 U W30 -","- K3 O131 P5 U W30 -","- K6 O262 P10 U2 W60 -","2","0.5","","Kee-Chan Kim; Michael T. Pope; Gennaro J. Gama; Michael H. Dickman","Slow Proton Exchange in Aqueous Solution. Consequences of Protonation and Hydration within the Central Cavity of Preyssler Anion Derivatives, [|M(H2O)|@P5W30O110]n-","Journal of the American Chemical Society","1999","121","","11164","11170","10.1021/ja992105b","","","0.71073","MoKα","","0.1002","0.0703","","","0.1524","0.1664","","","","","","1.108","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116614","17.6012","0.0008","28.1222","0.0013","24.6158","0.0011","90","","109.311","0.001","90","","11498.9","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H69 K5 O141 P5 W30 Y -","- K5.1 O141 P5 W30 Y -","- K20.4 O564 P20 W120 Y4 -","4","0.5","","Kee-Chan Kim; Michael T. Pope; Gennaro J. Gama; Michael H. Dickman","Slow Proton Exchange in Aqueous Solution. Consequences of Protonation and Hydration within the Central Cavity of Preyssler Anion Derivatives, [|M(H2O)|@P5W30O110]n-","Journal of the American Chemical Society","1999","121","","11164","11170","10.1021/ja992105b","","","0.71073","MoKα","","0.1041","0.0843","","","0.1719","0.1837","","","","","","1.266","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116615","17.464","0.004","17.766","0.003","23.51","0.003","97.351","0.011","98.298","0.008","112.133","0.018","6552","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- H112 N14 Na O138.5 P5 W30 -","- Na O152.5 P5 W30 -","- Na2 O305 P10 W60 -","2","1","","Kee-Chan Kim; Michael T. Pope; Gennaro J. Gama; Michael H. Dickman","Slow Proton Exchange in Aqueous Solution. Consequences of Protonation and Hydration within the Central Cavity of Preyssler Anion Derivatives, [|M(H2O)|@P5W30O110]n-","Journal of the American Chemical Society","1999","121","","11164","11170","10.1021/ja992105b","","","0.71073","MoKα","","0.0851","0.0564","","","0.1214","0.1346","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116616","17.5255","0.0001","21.0554","0.0002","35.5201","0.0003","90","","104.142","0.001","90","","12709.9","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H96 N12 O134 P5 W30 Y -","- O146 P5 W30 Y -","- O584 P20 W120 Y4 -","4","1","","Kee-Chan Kim; Michael T. Pope; Gennaro J. Gama; Michael H. Dickman","Slow Proton Exchange in Aqueous Solution. Consequences of Protonation and Hydration within the Central Cavity of Preyssler Anion Derivatives, [|M(H2O)|@P5W30O110]n-","Journal of the American Chemical Society","1999","121","","11164","11170","10.1021/ja992105b","","","0.71073","MoKα","","0.0939","0.0627","","","0.1428","0.1593","","","","","","1.067","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116617","10.98","0.01","4.862","0.002","17.72","0.01","90","","97.93","0.09","90","","936.9","1.1","210.2","","210.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 N O2 -","- C10 H12 N O2 -","- C40 H48 N4 O8 -","4","1","","Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata","Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates","Journal of the American Chemical Society","1999","121","","11122","11129","10.1021/ja992558g","","","0.7107","MoKα","","0.1149","0.1149","","","0.3131","0.3131","","","","","","1.226","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116618","11.033","0.002","4.936","0.0008","18.011","0.004","90","","95.055","0.005","90","","977","0.3","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cl N O2 -","- C10 H11 Cl N O2 -","- C40 H44 Cl4 N4 O8 -","4","1","","Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata","Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates","Journal of the American Chemical Society","1999","121","","11122","11129","10.1021/ja992558g","","","0.7107","MoKα","","0.0983","0.0983","","","0.2727","0.2727","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116619","8.614","0.002","13.731","0.004","8.795","0.003","90","","103.06","0.02","90","","1013.4","0.5","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H14 N O2 -","- C11 H14 N O2 -","- C44 H56 N4 O8 -","4","1","","Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata","Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates","Journal of the American Chemical Society","1999","121","","11122","11129","10.1021/ja992558g","","","0.7107","MoKα","","0.0444","0.0444","","","0.1263","0.1263","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116620","8.594","0.0006","11.638","0.001","11.158","0.001","90","","110.433","0.002","90","","1045.77","0.15","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H14 N O3 -","- C11 H14 N O3 -","- C44 H56 N4 O12 -","4","1","","Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata","Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates","Journal of the American Chemical Society","1999","121","","11122","11129","10.1021/ja992558g","","","0.7107","MoKα","","0.0469","0.0469","","","0.1543","0.1543","","","","","","1.131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116621","9.366","0.003","10.858","0.004","5.599","0.003","98.043","0.007","98.117","0.006","97.42","0.02","551.7","0.4","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N O3 -","- C11 H14 N O3 -","- C22 H28 N2 O6 -","2","1","","Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata","Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates","Journal of the American Chemical Society","1999","121","","11122","11129","10.1021/ja992558g","","","0.7107","MoKα","","0.1647","0.1647","","","0.4025","0.4025","","","","","","1.722","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116622","21.598","0.006","6.139","0.002","21.58","0.02","90","","112.02","0.05","90","","2653","3","197.2","","197.2","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C96 H112 N8 O24 -","4","1","","Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata","Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates","Journal of the American Chemical Society","1999","121","","11122","11129","10.1021/ja992558g","","","0.7107","MoKα","","0.1166","0.1166","","","0.2975","0.2975","","","","","","1.248","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116623","19.173","0.003","19.173","0.003","17.416","0.004","90","","90","","120","","5544.5","1.8","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C72 H61 Cd3 Cl2 N9 O15 -","- C72 H61 Cd3 Cl1.98 N9 O14.92 -","- C216 H183 Cd9 Cl5.94 N27 O44.76 -","3","0.166667","","Wenbin Lin; Zhiyong Wang; Ling Ma","A Novel Octupolar Metal-Organic NLO Material Based on a Chiral 2D Coordination Network","Journal of the American Chemical Society","1999","121","","11249","11250","10.1021/ja9928327","","","0.71073","MoKα","","0.0493","0.0266","","","0.0596","0.0651","","","","","","0.976","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116624","11.516","0.002","11.715","0.004","17.833","0.005","75.18","0.03","79.67","0.02","87.3","0.02","2288.1","1.1","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H55 Cl4 N7 O4 S -","- C44 H51 N7 O4 S -","- C88 H102 N14 O8 S2 -","2","1","","Jonathan L. Sessler; Daniel Seidel; Vincent Lynch","Synthesis of [28]Heptaphyrin(1.0.0.1.0.0.0) and [32]Octaphyrin(1.0.0.0.1.0.0.0) via a Directed Oxidative Ring Closure: The First Expanded Porphyrins Containing a Quaterpyrrole Subunit","Journal of the American Chemical Society","1999","121","","11257","11258","10.1021/ja992934x","","","0.71073","MoKα","","0.1555","0.0821","","0.2101","0.196","","","","1.028","1.555","1.555","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116625","10.712","0.0003","13.327","0.0003","18.162","0.0006","92.146","0.002","103.245","0.0015","104.125","0.002","2435.51","0.12","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 Cl2 N8 O2 -","- C52 H66 Cl2 N8 O2 -","- C104 H132 Cl4 N16 O4 -","2","1","","Jonathan L. Sessler; Daniel Seidel; Vincent Lynch","Synthesis of [28]Heptaphyrin(1.0.0.1.0.0.0) and [32]Octaphyrin(1.0.0.0.1.0.0.0) via a Directed Oxidative Ring Closure: The First Expanded Porphyrins Containing a Quaterpyrrole Subunit","Journal of the American Chemical Society","1999","121","","11257","11258","10.1021/ja992934x","","","0.71073","MoKα","","0.1571","0.1013","","0.2416","0.2263","","","","1.601","1.934","1.934","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116626","7.902","0.002","8.256","0.003","8.859","0.003","78.4","0.02","76.73","0.02","87.96","0.03","551","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Miguel A. Miranda; Agustin Lahoz; Ramón Martínez-Máñez; Francisco Boscá; José V. Castell; Julia Pérez-Prieto","Enantioselective Discrimination in the Intramolecular Quenching of an Excited Aromatic Ketone by a Ground-State Phenol","Journal of the American Chemical Society","1999","121","","11569","11570","10.1021/ja990823s","","","0.71073","MoKα","","0.0624","0.0327","","0.1365","0.091","","","","0.89","0.878","0.878","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116627","8.056","0.005","8.326","0.005","8.751","0.006","77.78","0.05","78.13","0.05","89.88","0.05","560.9","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Miguel A. Miranda; Agustin Lahoz; Ramón Martínez-Máñez; Francisco Boscá; José V. Castell; Julia Pérez-Prieto","Enantioselective Discrimination in the Intramolecular Quenching of an Excited Aromatic Ketone by a Ground-State Phenol","Journal of the American Chemical Society","1999","121","","11569","11570","10.1021/ja990823s","","","0.71073","MoKα","","0.0532","0.049","","0.1319","0.1271","","","","1.117","1.124","1.124","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116628","7.889","0.005","8.294","0.005","8.727","0.005","79.7","0.05","74.71","0.04","87.15","0.05","541.9","0.6","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H21 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Miguel A. Miranda; Agustin Lahoz; Ramón Martínez-Máñez; Francisco Boscá; José V. Castell; Julia Pérez-Prieto","Enantioselective Discrimination in the Intramolecular Quenching of an Excited Aromatic Ketone by a Ground-State Phenol","Journal of the American Chemical Society","1999","121","","11569","11570","10.1021/ja990823s","","","0.71073","MoKα","","0.0319","0.0297","","0.0874","0.0835","","","","0.815","0.8","0.8","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116629","6.41","0.004","11.37","0.004","9.627","0.005","90","","108","0.04","90","","667.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-bis(4-nitrophenyl)tetrafluorosulfurane","","- C12 H8 F4 N2 O4 S -","- C12 H8 F4 N2 O4 S -","- C24 H16 F8 N4 O8 S2 -","2","0.5","","Peer Kirsch; Matthias Bremer; Annette Kirsch; Jens Osterodt","Bis(4-nitrophenyl)tetrafluorosulfuranes: Synthesis, Isomerization and Structural Characterization","Journal of the American Chemical Society","1999","121","","11277","11280","10.1021/ja9915495","","","0.71073","MoKα","","0.0807","0.0431","","","0.0941","0.1015","","","","","","0.789","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116630","17.481","0.006","9.892","0.003","14.524","0.005","90","","123.879","0.007","90","","2085.1","1.2","160","2","160","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Pt(dmpp)~2~","","","- C14 H36 P4 Pt -","- C14 H36 P4 Pt -","- C56 H144 P16 Pt4 -","4","0.5","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.0223","0.0218","","","0.0508","0.051","","","","","","1.113","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116631","17.7374","0.0002","9.064","","17.9013","0.0002","90","","96.187","0.001","90","","2861.26","0.05","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(dmpe)~2~Ni^II^][PF~6~]~2~^.^CH~3~NO~2~","","","- C13 H35 F12 N Ni O2 P6 -","- C13 H35 F12.06 N Ni O2 P6 -","- C52 H140 F48.24 N4 Ni4 O8 P24 -","4","1","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.0434","0.0315","","","0.0744","0.0805","","","","","","1.047","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116632","17.7301","0.0002","10.9129","0.0001","15.7799","0.0001","90","","90","","90","","3053.2","0.05","162","2","162","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C20 H50 B2 F8 Ni O P4 -","- C20 H50 B2 F8 Ni O P4 -","- C80 H200 B8 F32 Ni4 O4 P16 -","4","0.5","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.0438","0.0316","","","0.0671","0.0731","","","","","","0.914","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116633","9.8371","0.0013","16.764","0.003","14.8801","0.0018","90","","101.136","0.007","90","","2407.7","0.6","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H36 B2 F8 Ni P4 -","- C14 H36 B2 F8 Ni P4 -","- C56 H144 B8 F32 Ni4 P16 -","4","1","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.0354","0.0286","","","0.0672","0.0716","","","","","","1.034","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116634","17.5851","0.0017","9.313","0.001","18.412","0.003","90","","94.269","0.006","90","","3007","0.7","141","2","141","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15.61 H39.73 F12 N0.27 O0.53 P6 Pt -","- C15.6 H39.735 F12 N0.2665 O0.534 P6 Pt -","- C62.4 H158.94 F48 N1.066 O2.136 P24 Pt4 -","4","1","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.0412","0.0332","","","0.0771","0.0805","","","","","","1.047","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116635","19.9406","0.0004","9.0706","0.0002","16.7066","0.0003","90","","97.49","","90","","2995.99","0.1","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni(dmpe)~2~(CH~3~CN)](BF~4~)~2~","","","- C16 H38 F12 N2 Ni P6 -","- C16 H38 F12 N2 Ni P6 -","- C64 H152 F48 N8 Ni4 P24 -","4","1","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.1062","0.056","","","0.1074","0.1349","","","","","","1.144","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116636","10.7503","0.0012","14.2268","0.0019","17.8531","0.0015","93.236","0.006","92.155","0.006","92.39","0.005","2721.6","0.5","169","2","169","2","","","","","","","","7","P -1","-P 1","2","[Ni(dmpp)~2~(CH~3~CN)](BF~4~)~2~","","","- C16 H39 B2 F8 N Ni P4 -","- C16 H38.747 B2 F8 N Ni P4 -","- C64 H154.988 B8 F32 N4 Ni4 P16 -","4","2","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.0899","0.0528","","","0.1142","0.1336","","","","","","1.021","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116637","17.5777","0.0017","9.5357","0.0011","14.7122","0.0016","90","","123.458","0.005","90","","2057.4","0.4","152","2","152","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ni(dmpp)~2~","","","- C14 H36 Ni P4 -","- C14 H36 Ni P4 -","- C56 H144 Ni4 P16 -","4","0.5","","Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois","Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)","Journal of the American Chemical Society","1999","121","","11432","11447","10.1021/ja991888y","","","0.71073","MoKα","","0.0638","0.0442","","","0.0793","0.0874","","","","","","1.463","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116638","12.442","0.0006","18.635","0.0007","28.37","0.001","90","0","90","0","90","0","6577.8","0.5","120","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H108 Ge3 Si7 -","- C45 H108 Ge3 Si7 -","- C180 H432 Ge12 Si28 -","4","1","","Akira Sekiguchi; Norihisa Fukaya; Masaaki Ichinohe; Nozomi Takagi; Shigeru Nagase","Synthesis of Unsymmetrically Substituted Cyclotrigermenes and the First Example of Cis Configuration around the GeGe Double Bond","Journal of the American Chemical Society","1999","121","","11587","11588","10.1021/ja9923080","","","0.71073","xray","","","0.064","","","0.142","","","","","4.933","4.933","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116639","26.387","0.002","17.4364","0.001","13.8016","0.0012","90","","101.65","0.0015","90","","6219.2","0.8","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","o-NHAcSR","","","- C70 H66 Fe N9 O6 S -","- C70 H66 Fe N9 O6 S -","- C280 H264 Fe4 N36 O24 S4 -","4","1","","Noriyuki Suzuki; Tsunehiko Higuchi; Yasuteru Urano; Kazuya Kikuchi; Hidehiro Uekusa; Yuji Ohashi; Takeshi Uchida; Teizo Kitagawa; Tetsuo Nagano","Novel Iron Porphyrin-Alkanethiolate Complex with Intramolecular NH...S Hydrogen Bond: Synthesis, Spectroscopy, and Reactivity","Journal of the American Chemical Society","1999","121","","11571","11572","10.1021/ja992511v","","","1.54184","CuKα","","0.2092","0.0541","","","0.1131","0.1364","","","","","","0.698","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116640","18.831","0.002","18.831","0.002","13.075","0.002","90","0.01","90","0.01","90","0.01","4636.5","1","153","5","153","5","","","","","","","","6","P 4","P 4","75","","","","- C37 H52.5 Nd O6.5 Se4.5 Yb -","- C37 H50 Nd O6.5 Se4.5 Yb -","- C148 H200 Nd4 O26 Se18 Yb4 -","4","1","","Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan","Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2)","Journal of the American Chemical Society","1999","121","","11713","11719","10.1021/ja991437d","","","0.71073","MoKα","","0.1763","0.0811","","","0.2079","0.2332","","","","","","1.265","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116641","18.544","0.003","18.544","0.003","24.015","0.004","90","0.02","90","0.02","90","0.02","8258","2","153","5","153","5","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H22.5 O2.5 Se2.25 Sm -","- C17 H20 O2.5 Se2.25 Sm -","- C272 H320 O40 Se36 Sm16 -","16","1","","Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan","Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2)","Journal of the American Chemical Society","1999","121","","11713","11719","10.1021/ja991437d","","","0.71073","MoKα","","0.1796","0.0637","","","0.1131","0.1292","","","","","","0.957","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116642","18.289","0.003","18.289","0.003","24.299","0.014","90","0.02","90","0.02","90","0.02","8128","5","153","5","153","5","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H22.5 O2.5 Se2.25 Yb -","- C17 H20 O2.5 Se2.25 Yb -","- C272 H320 O40 Se36 Yb16 -","16","1","","Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan","Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2)","Journal of the American Chemical Society","1999","121","","11713","11719","10.1021/ja991437d","","","0.71073","MoKα","","0.1358","0.0569","","","0.1195","0.1341","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116643","18.493","0.003","18.493","0.003","24.172","0.006","90","0.02","90","0.02","90","0.02","8267","3","153","5","153","5","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H22.5 O2.5 Se2.25 Sm0.61 Yb0.39 -","- C17 H22.5 O2.5 Se2.25 Sm0.6 Yb0.4 -","- C272 H360 O40 Se36 Sm9.6 Yb6.4 -","16","1","","Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan","Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2)","Journal of the American Chemical Society","1999","121","","11713","11719","10.1021/ja991437d","","","0.71073","MoKα","","0.0744","0.0363","","","0.0733","0.0836","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116644","18.465","0.003","18.465","0.003","24.1","0.006","90","0.02","90","0.02","90","0.02","8217","3","153","5","153","5","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H22.5 Nd0.5 O2.5 Se2.25 Yb0.5 -","- C17 H20 Nd0.548 O2.5 Se2.25 Yb0.452 -","- C272 H320 Nd8.768 O40 Se36 Yb7.232 -","16","1","","Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan","Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2)","Journal of the American Chemical Society","1999","121","","11713","11719","10.1021/ja991437d","","","0.71073","MoKα","","0.1618","0.0445","","","0.0554","0.0636","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116645","33.092","0.001","10.215","0.0002","28.944","0.002","90","","103.282","0.003","90","","9522.4","0.8","213","2","213","2","","","","","","","synthesized","6","C 1 2/c 1","-C 2yc","15","","Bis(trans-dichloro-bis(4-tert-butylpyridine))-di-molybdenum (II), D2-isomer, acetone solvate","","- C39 H58 Cl4 Mo2 N4 O -","- C39 H56.5 Cl4 Mo2 N4 O -","- C312 H452 Cl32 Mo16 N32 O8 -","8","1","","F. Albert Cotton; Evgeny V. Dikarev; Jiande Gu; Santiago Herrero; Barbara Modec","Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 5. Experimental and Theoretical Study of the Rotation Conformational Preferences of Mo2Cl4(R-py)4 (R-py = Substituted Pyridine) Molecules","Journal of the American Chemical Society","1999","121","","11758","11761","10.1021/ja992445x","","","0.71073","MoKα","","0.0446","0.0401","","0.1103","0.1028","","","","1.102","1.092","1.092","","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4116646","11.6996","0.001","12.3935","0.0011","15.8708","0.0013","90","","113.34","0.007","90","","2112.9","0.3","150","","150","","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 B Br F4 N2 O Pt -","- C19 H26 B Br F4 N2 O Pt -","- C76 H104 B4 Br4 F16 N8 O4 Pt4 -","4","1","","Albrecht, Martin; Gossage, Robert A.; Spek, Anthony L.; van Koten, Gerard","Metal-Mediated C-C Bond Making and Breaking: First Direct Evidence for a Reversible Migration of a Benzyl Group along a Metal-Carbon Bond","Journal of the American Chemical Society","1999","121","50","11898","11899","10.1021/ja992494+","","","0.71073","MoKα","","0.0359","0.0273","","","0.0622","0.0649","","","","","","1.062","","","","has coordinates","270162","2021-10-29","12:03:03",""
"4116647","13.336","0.011","14.275","0.009","14.095","0.008","90","","106.81","0.05","90","","2569","3","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 N4 O2 Ti -","- C28 H34 N4 O2 Ti -","- C112 H136 N16 O8 Ti4 -","4","1","","Dietrich P. Steinhuebel; Stephen J. Lippard","Synthesis of Unsymmetrical Diolate, Oxametallacyclopentene, Amido-Alkoxide and Thiolato-Alkoxide Complexes Using Dialkyl and Diaryl Titanium Aminotroponiminate Complexes: A Route to Unsymmetrical Vicinal Diols","Journal of the American Chemical Society","1999","121","","11762","11772","10.1021/ja992662y","","","0.71073","MoKα","","0.142","0.0745","","","0.1096","0.1305","","","","","","1.038","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116648","16.222","0.002","15.4521","0.0016","11.8922","0.0017","90","","91.811","0.013","90","","2979.5","0.6","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 N4 O2 Ti -","- C34 H38 N4 O2 Ti -","- C136 H152 N16 O8 Ti4 -","4","1","","Dietrich P. Steinhuebel; Stephen J. Lippard","Synthesis of Unsymmetrical Diolate, Oxametallacyclopentene, Amido-Alkoxide and Thiolato-Alkoxide Complexes Using Dialkyl and Diaryl Titanium Aminotroponiminate Complexes: A Route to Unsymmetrical Vicinal Diols","Journal of the American Chemical Society","1999","121","","11762","11772","10.1021/ja992662y","","","0.71073","MoKα","","0.0446","0.0349","","","0.0928","0.0976","","","","","","1.049","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116649","10.384","0.003","13.028","0.004","13.305","0.005","118.1","0.02","92.91","0.04","110.73","0.02","1432.5","1","188","2","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N4 O2 Ti -","- C32 H34 N4 O2 Ti -","- C64 H68 N8 O4 Ti2 -","2","1","","Dietrich P. Steinhuebel; Stephen J. Lippard","Synthesis of Unsymmetrical Diolate, Oxametallacyclopentene, Amido-Alkoxide and Thiolato-Alkoxide Complexes Using Dialkyl and Diaryl Titanium Aminotroponiminate Complexes: A Route to Unsymmetrical Vicinal Diols","Journal of the American Chemical Society","1999","121","","11762","11772","10.1021/ja992662y","","","0.71073","MoKα","","0.1618","0.0868","","","0.168","0.2031","","","","","","1.016","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116650","13.233","0.004","13.823","0.004","13.863","0.003","60.514","0.015","88.656","0.016","87.332","0.017","2205","1.1","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H51 N5 O3 S Ti -","- C51 H51 N5 O3 S Ti -","- C102 H102 N10 O6 S2 Ti2 -","2","1","","Dietrich P. Steinhuebel; Stephen J. Lippard","Synthesis of Unsymmetrical Diolate, Oxametallacyclopentene, Amido-Alkoxide and Thiolato-Alkoxide Complexes Using Dialkyl and Diaryl Titanium Aminotroponiminate Complexes: A Route to Unsymmetrical Vicinal Diols","Journal of the American Chemical Society","1999","121","","11762","11772","10.1021/ja992662y","","","0.71073","MoKα","","0.1215","0.0595","","","0.1577","0.184","","","","","","0.963","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116651","10.9698","0.0007","13.1873","0.0009","14.63","0.0009","115.08","0.001","94.619","0.001","109.801","0.002","1740","0.2","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 N4 O S Ti -","- C40 H44 N4 O S Ti -","- C80 H88 N8 O2 S2 Ti2 -","2","1","","Dietrich P. Steinhuebel; Stephen J. Lippard","Synthesis of Unsymmetrical Diolate, Oxametallacyclopentene, Amido-Alkoxide and Thiolato-Alkoxide Complexes Using Dialkyl and Diaryl Titanium Aminotroponiminate Complexes: A Route to Unsymmetrical Vicinal Diols","Journal of the American Chemical Society","1999","121","","11762","11772","10.1021/ja992662y","","","0.71073","MoKα","","0.0999","0.0526","","","0.1331","0.1503","","","","","","1.006","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116652","12.5029","0.0002","13.0424","0.0004","18.9793","0.0005","81.7009","0.001","88.3043","0.0015","84.2634","0.0015","3046.8","0.13","298","2","298","2","","","","","","","chemical synthesis","6","P -1","-P 1","2","Fe(oximate)TDCPP.chlorobenzene.0.5heptane","(fluorenoneoximato)iron(III)[5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin]. chlorobenzene.0.5heptane","","- C66.5 H41 Cl9 Fe N5 O -","- C57 H28 Cl8 Fe N5 O -","- C114 H56 Cl16 Fe2 N10 O2 -","2","1","","Wang, Charles C.-Y.; M. Ho, Douglas; Groves, John T.","Models of Nitric Oxide Synthase: Iron(III) Porphyrin-Catalyzed Oxidation of Fluorenone Oxime to Nitric Oxide and Fluorenone","Journal of the American Chemical Society","1999","121","51","12094","12103","10.1021/ja992373+","","","0.71073","MoKα","","0.1155","0.0571","","0.1681","0.149","","","","1.068","1.325","1.325","","","","","has coordinates","270161","2021-10-29","11:58:41",""
"4116653","9.8776","0.0006","11.9206","0.0006","17.4262","0.0012","90","","101.55","0.003","90","","2010.3","0.2","298","2","298","2","","","","","","","chemical synthesis","4","P 1 21/n 1","-P 2yn","14","","O-(9-nitro-9-fluorenyl)fluorenone oxime","","- C26 H16 N2 O3 -","- C26 H16 N2 O3 -","- C104 H64 N8 O12 -","4","1","","Wang, Charles C.-Y.; M. Ho, Douglas; Groves, John T.","Models of Nitric Oxide Synthase: Iron(III) Porphyrin-Catalyzed Oxidation of Fluorenone Oxime to Nitric Oxide and Fluorenone","Journal of the American Chemical Society","1999","121","51","12094","12103","10.1021/ja992373+","","","0.71073","MoKα","","0.0772","0.0569","","0.1529","0.1407","","","","1.092","1.203","1.203","","","","","has coordinates,has disorder","270161","2021-10-29","11:58:43",""
"4116654","15.53","0.02","18.45","0.01","24.71","0.01","107.73","0.04","101.23","0.05","101.55","0.06","6354","10","193","","193","","","","","","","","?","8","P -1","-P 1","2","","","","- C94 H182 Cl2 Li6 O20 S4 Si4 Ti4 -","- C94 H182 Cl2 Li6 O20 S4 Si4 Ti4 -","- C188 H364 Cl4 Li12 O40 S8 Si8 Ti8 -","2","1","","Jürgen F. K. Müller; Markus Neuburger; Hans-Peter Weber","Structure Determination of a Lithiated Titanium-Sulfone","Journal of the American Chemical Society","1999","121","","12212","12213","10.1021/ja993048p","","","1.5418","CuKα","","","0.1082","","","0.1259","","","","","1.0586","1.0586","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"5000250","13.456","0.001","17.884","0.002","28.965","0.002","90","","90","","90","","6970.34","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H94 N8 O15 -","- C67 N8 O13 -","- C268 N32 O52 -","4","1","","Renner, Matthew K.; Shen, Ya-Ching; Cheng, Xing-Chung; Jensen, Paul R.; Frankmoelle, Walter; Kauffman, Christopher A.; Fenical, William; Lobkovsky, Emil; Clardy, Jon","Cyclomarins A‒C, New Antiinflammatory Cyclic Peptides Produced by a Marine Bacterium (Streptomyces sp.)","Journal of the American Chemical Society","1999","121","49","11273","11276","10.1021/ja992482o","","","","","","","","","","","","","","","","","","","","","has coordinates","175374","2020-10-21","18:00:00",""
"5000275","9.593","0.005","7.815","0.005","11.342","0.005","90","","99.47","0.04","90","","838.71","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O -","- C19 H25 N O -","- C38 H50 N2 O2 -","2","1","","Williams, Geoffrey M.; Roughley, Stephen D.; Davies, John E.; Holmes, Andrew B.; Adams, Joseph P.","Synthesis of (-)-Histrionicotoxin by a Tandem Process","Journal of the American Chemical Society","1999","121","20","4900","4901","10.1021/ja990138l","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000365","17.172","0.002","18.302","0.003","34.534","0.005","90","","100.363","0.008","90","","10677","2","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C105 H96 Cl10 Mn6 O16 -","- C110.51 H90 Cl6.684 Mn6 O16 -","- C442.04 H360 Cl26.736 Mn24 O64 -","4","1","","Guillem Aromí; Michael J. Knapp; Juan-Pablo Claude; John C. Huffman; David N. Hendrickson; George Christou","High-Spin Molecules: Hexanuclear MnIII Clusters with [Mn6O4X4]6+ (X = Cl-, Br-) Face-Capped Octahedral Cores and S= 12 Ground States","Journal of the American Chemical Society","1999","121","","5489","5499","10.1021/ja983446c","","","0.71069","MoKα","","","0.058","","","","0.0573","","","","","","2.4015","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5000368","13.888","0.003","8.3476","0.0018","24.702","0.005","90","","102.689","0.012","90","","2793.8","1","105.15","","20","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Cl3 Mn O4 -","- C31 H24 Cl3 Mn O4 -","- C124 H96 Cl12 Mn4 O16 -","4","1","","Guillem Aromí; Michael J. Knapp; Juan-Pablo Claude; John C. Huffman; David N. Hendrickson; George Christou","High-Spin Molecules: Hexanuclear MnIII Clusters with [Mn6O4X4]6+ (X = Cl-, Br-) Face-Capped Octahedral Cores and S= 12 Ground States","Journal of the American Chemical Society","1999","121","","5489","5499","10.1021/ja983446c","","","0.71069","MoKα","","","0.0533","","","","0.0456","","","","","","1.4551","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5000391","19.8971","0.0008","6.9274","0.0002","19.4153","0.0008","90","","103.846","0.001","90","","2598.35","","110","2","110","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Hexabenzotriphenylene","Dibenzo(f,j)phenanthro(9,10-s)picene","","- C42 H24 -","- C42 H24 -","- C168 H96 -","4","1","","Lisa Barnett; Douglas M. Ho; Kim K. Baldridge; Robert A. Pascal","The Structure of Hexabenzotriphenylene and the Problem of Overcrowded ""D3h"" Polycyclic Aromatic Compounds","Journal of the American Chemical Society","1999","121","","727","733","10.1021/ja983471i","","","0.71073","MoKα","","0.0962","0.0563","","0.1621","0.1417","","","","1.054","1.176","1.176","","","","","has coordinates","176451","2020-10-21","18:00:00",""