# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T23:21:42+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 = 123 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
"2000099","18.128","0.007","20.224","0.007","26.221","0.009","101.3","0.02","104.07","0.02","102.37","0.02","8790.67","","","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C94.5 H96.5 B2 N6.5 Ni2 O7 S2 -","- C97 H82 B2 N6.5 Ni2 O4.5 S2 -","- C388 H328 B8 N26 Ni8 O18 S8 -","4","2","","Catherine Belle; Catherine Bougault; Marie-Thérèse Averbuch; André Durif; Jean-Louis Pierre; Jean-Marc Latour; Laurent Le Pape","Paramagnetic NMR Investigations of High-Spin Nickel(II) Complexes. Controlled Synthesis, Structural, Electronic, and Magnetic Properties of Dinuclear vs Mononuclear Species","Journal of the American Chemical Society","2001","123","33","8053","8066","10.1021/ja010342k","","","","","","","0.0576","","","0.0576","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"4115409","14.573","0.002","14.5731","","14.953","0.002","90","","90","","90","","3175.6","0.6","296.2","","","","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H42 Fe N4 O8 -","- C32 H42 Fe N4 O8 -","- C128 H168 Fe4 N16 O32 -","4","0.5","","Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao","Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization","Journal of the American Chemical Society","2001","123","","68","75","10.1021/ja002869n","","","0.7107","MoKα","","","0.0515","","","","0.0365","","","","","","3.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115410","9.294","0.001","11.783","0.001","8.924","0.001","98.65","0.01","116.481","0.009","81.41","0.01","861.05","0.17","296.2","","","","","","","","","","","5","P 1","P 1","1","","","","- C32 H46 Fe N4 O8 -","- C32 H46 Fe N4 O8 -","- C32 H46 Fe N4 O8 -","1","1","","Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao","Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization","Journal of the American Chemical Society","2001","123","","68","75","10.1021/ja002869n","","","0.7107","MoKα","","","0.0387","","","","0.0302","","","","","","3.228","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115411","10.8188","0.0007","21.434","0.001","16.306","0.001","90","","90","","90","","3781.2","0.4","296.2","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H42 Fe N4 O8 -","- C38 H42 Fe N4 O8 -","- C152 H168 Fe4 N16 O32 -","4","0.5","","Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao","Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization","Journal of the American Chemical Society","2001","123","","68","75","10.1021/ja002869n","","","0.7107","MoKα","","","0.0555","","","","0.0586","","","","","","2.246","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115412","19.7525","0.0011","9.8664","0.0006","10.9577","0.0006","90","","90","","90","","2135.5","0.2","173","2","173","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","[K(18-crown-6)(toluene)]","","","- C19 H32 K O6 -","- C19 H32 K O6 -","- C76 H128 K4 O24 -","4","1","","Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko","The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts","Journal of the American Chemical Society","2001","123","","189","190","10.1021/ja005580e","","x-ray","0.71073","MoKα","","0.0587","0.0476","","","0.1152","0.1236","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4115413","26.1009","0.0008","16.3832","0.0007","9.13","0.0003","90","","90","","90","","3904.1","0.2","173","2","173","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","[{K(18-crown6)}2(C12H12)]","","","- C36 H60 K2 O12 -","- C36 H60 K2 O12 -","- C144 H240 K8 O48 -","4","0.5","","Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko","The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts","Journal of the American Chemical Society","2001","123","","189","190","10.1021/ja005580e","","x-ray","0.71073","MoKα","","0.0814","0.064","","","0.1542","0.1659","","","","","","1.062","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115414","26.6844","0.0006","8.5157","0.0003","22.0803","0.0005","90","","125.751","0.002","90","","4072","0.2","173","2","173","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","[(18-crown-6)K(OCHCH2)].1/2(C6H6)","","","- C17 H30 K O7 -","- C17 H30 K O7 -","- C136 H240 K8 O56 -","8","1","","Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko","The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts","Journal of the American Chemical Society","2001","123","","189","190","10.1021/ja005580e","","x-ray","0.71073","MoKα","","0.0418","0.0339","","","0.0845","0.0906","","","","","","0.939","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115415","11.787","0.006","36.607","0.009","8.504","0.005","90","","90","","90","","3669","3","296.2","","296.2","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H8 Br2 Fe0.5 S4 Se4 -","- C10 H8 Br1.5 Fe0.25 S4 Se4 -","- C80 H64 Br12 Fe2 S32 Se32 -","8","1","","Hideki Fujiwara; Emiko Fujiwara; Yasuhiro Nakazawa; Bakhyt Zh. Narymbetov; Kiyonori Kato; Hayao Kobayashi; Akiko Kobayashi; Madoka Tokumoto; Patrick Cassoux","A Novel Antiferromagnetic Organic Superconductor κ-(BETS)2FeBr4 [Where BETS = Bis(ethylenedithio)tetraselenafulvalene]","Journal of the American Chemical Society","2001","123","","306","314","10.1021/ja002439x","","","0.7107","MoKα","","","0.053","","","0.0492","","","","","1.416","1.416","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115416","11.7472","0.001","12.1672","0.0011","15.8347","0.0014","99.2118","0.0015","101.262","0.0015","109.507","0.0014","2029.2","0.3","173","2","173","2","","","","","","","Brendan OKeefe","4","P -1","-P 1","2","Fe5(O)(OEt)13","","","- C26 H65 Fe5 O14 -","- C26 H65 Fe5 O14 -","- C52 H130 Fe10 O28 -","2","1","","Brendan J. O'Keefe; Susanne M. Monnier; Marc A. Hillmyer; William B. Tolman","Rapid and Controlled Polymerization of Lactide by Structurally Characterized Ferric Alkoxides","Journal of the American Chemical Society","2001","123","","339","340","10.1021/ja003537l","","","0.71073","MoKα","","0.0907","0.0456","","","0.1048","0.1227","","","","","","0.949","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115417","12.6689","0.0007","19.7686","0.0011","9.9959","0.0005","90","","105.434","0.001","90","","2413.2","0.2","173","2","173","2","","","","","","","Brendan OKeefe","4","P 1 21/c 1","-P 2ybc","14","Fe2(OCMe2Ph)6","","","- C54 H66 Fe2 O6 -","- C27 H33 Fe O3 -","- C108 H132 Fe4 O12 -","4","1","","Brendan J. O'Keefe; Susanne M. Monnier; Marc A. Hillmyer; William B. Tolman","Rapid and Controlled Polymerization of Lactide by Structurally Characterized Ferric Alkoxides","Journal of the American Chemical Society","2001","123","","339","340","10.1021/ja003537l","","","0.71073","MoKα","","0.0473","0.0324","","","0.0729","0.078","","","","","","1.026","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115418","8.4817","0.0011","11.1925","0.0015","16.342","0.003","90","","98.482","0.012","90","","1534.4","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H38 F2 N2 Si3 -","- C32 H38 F2 N2 Si3 -","- C64 H76 F4 N4 Si6 -","2","1","","Eike Gellermann; Uwe Klingebiel; Mathias Noltemeyer; Stefan Schmatz","Silyl Group Insertion into the N-N Bond: Experimental and Quantum Chemical Results","Journal of the American Chemical Society","2001","123","","378","382","10.1021/ja001173r","","","0.71073","MoKα","","0.0601","0.0497","","0.1288","0.1166","","","","1.035","1.026","1.026","","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115419","15.76","0.0003","15.76","0.0003","15.76","0.0003","90","","90","","90","","3914.43","0.13","293","2","293","2","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C24 H30 Cl Cu3 N13 O14 -","- C24 H18 Cl Cu3 N13.02 O12.04 -","- C96 H72 Cl4 Cu12 N52.08 O48.16 -","4","0.0833333","","Leandro C. Tabares; Jorge A. R. Navarro; Juan M. Salas","Cooperative Guest Inclusion by a Zeolite Analogue Coordination Polymer. Sorption Behavior with Gases and Amine and Group 1 Metal Salts","Journal of the American Chemical Society","2001","123","","383","387","10.1021/ja002624a","","","0.71073","MoKα","","0.1114","0.0649","","","0.1911","0.2233","","","","","","1.084","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115420","9.7616","0.0002","15.8832","0.0004","18.6844","0.0003","90","","96.205","0.001","90","","2879.96","0.1","223.2","","223.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 Br N2 Ru2 -","- C28 H47 Br N2 Ru2 -","- C112 H188 Br4 N8 Ru8 -","4","1","","Hideo Kondo; Yoshitaka Yamaguchi; Hideo Nagashima","(η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(X)(η5-C5Me5): An Unusual Bonding Mode of μ2-Amidinate Ligand Providing the First Unequivocal Evidence for Coordinating Ability of π-Conjugate Electrons of the Amidinate Ligands to Transition Metals","Journal of the American Chemical Society","2001","123","","500","501","10.1021/ja003250o","","","0.7107","MoKα","","0.0592","0.0413","","","0.1013","0.1065","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115421","9.5292","0.0005","23.655","0.001","17.134","0.001","90","","103.147","0.002","90","","3761","0.3","296.2","","223.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H58 Br N3 -","- C38 H58 Br N3 Ru2 -","- C152 H232 Br4 N12 Ru8 -","4","1","","Hideo Kondo; Yoshitaka Yamaguchi; Hideo Nagashima","(η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(X)(η5-C5Me5): An Unusual Bonding Mode of μ2-Amidinate Ligand Providing the First Unequivocal Evidence for Coordinating Ability of π-Conjugate Electrons of the Amidinate Ligands to Transition Metals","Journal of the American Chemical Society","2001","123","","500","501","10.1021/ja003250o","","","0.7107","MoKα","","0.0519","0.036","","","0.0975","0.1134","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115422","7.1894","0.0011","12.3968","0.0019","7.6376","0.0011","90","","93.202","0.003","90","","679.64","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","aplydactone","(1R,3S,6S,8R,11S)-8-bromo-3,7,7-trimethyltetracyclo[4.4.2.01,6.03,11] dodecan-4-one","","- C15 H21 Br O -","- C15 H21 Br O -","- C30 H42 Br2 O2 -","2","1","","Sergey N. Fedorov; Oleg S. Radchenko; Larisa K. Shubina; Anatoly I. Kalinovsky; Andrey V. Gerasimenko; Dmitry Y. Popov; Valentin A. Stonik","Aplydactone, a New Sesquiterpenoid with an Unprecedented Carbon Skeleton from the Sea Hare Aplysia dactylomela, and Its Cargill-Like Rearrangement","Journal of the American Chemical Society","2001","123","","504","505","10.1021/ja003254t","","","0.71073","MoKα","","0.0288","0.0273","","","0.0665","0.067","","","","","","1.012","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115423","12.757","0.002","9.726","0.002","17.8576","0.0007","90","","103.358","0.0007","90","","2155.7","0.6","180.2","","180.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 F22 O4 Pt Sb4 -","- C4 F22 O4 Pt Sb4 -","- C16 F88 O16 Pt4 Sb16 -","4","1","","Helge Willner; Matthias Bodenbinder; Raimund Bröchler; Germaine Hwang; Steven J. Rettig; James Trotter; Britta von Ahsen; Ulrich Westphal; Volker Jonas; Walter Thiel; Friedhelm Aubke","Superelectrophilic Tetrakis(carbonyl)palladium(II)- and -platinum(II) Undecafluorodiantimonate(V), [Pd(CO)4][Sb2F11]2 and [Pt(CO)4][Sb2F11]2: Syntheses, Physical and Spectroscopic Properties, Their Crystal, Molecular, and Extended Structures, and Density Functional Calculations: An Experimental, Computational, and Comparative Study","Journal of the American Chemical Society","2001","123","","588","602","10.1021/ja002360s","","","0.7107","MoKα","","0.0532","0.025","","0.0479","","0.022","","","1.16","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115424","12.583","0.002","9.8172","0.0009","17.9895","0.0009","90","","103.118","0.001","90","","2164.2","0.4","180.2","","180.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 F22 O4 Pd Sb4 -","- C4 F22 O4 Pd Sb4 -","- C16 F88 O16 Pd4 Sb16 -","4","1","","Helge Willner; Matthias Bodenbinder; Raimund Bröchler; Germaine Hwang; Steven J. Rettig; James Trotter; Britta von Ahsen; Ulrich Westphal; Volker Jonas; Walter Thiel; Friedhelm Aubke","Superelectrophilic Tetrakis(carbonyl)palladium(II)- and -platinum(II) Undecafluorodiantimonate(V), [Pd(CO)4][Sb2F11]2 and [Pt(CO)4][Sb2F11]2: Syntheses, Physical and Spectroscopic Properties, Their Crystal, Molecular, and Extended Structures, and Density Functional Calculations: An Experimental, Computational, and Comparative Study","Journal of the American Chemical Society","2001","123","","588","602","10.1021/ja002360s","","","0.7107","MoKα","","0.056","0.025","","0.0466","","0.022","","","1.115","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115425","14.805","0.0006","14.805","0.0006","41.608","0.002","90","","90","","120","","7898.1","0.6","203","2","203","2","","","","","","","","7","P 61","P 61","169","","","","- C53 H50 Ag2 Cl2 N4 O11 Pt2 -","- C53 H50 Ag2 Cl2 N4 O11 Pt2 -","- C318 H300 Ag12 Cl12 N24 O66 Pt12 -","6","1","","Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito","A Helical Metal-Metal Bonded Chain via the Pt\ρightarrowAg Dative Bond","Journal of the American Chemical Society","2001","123","","743","744","10.1021/ja002906a","","","0.71069","MoKα","","0.0579","0.0405","","","0.1035","0.1132","","","","","","0.748","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115426","16.7243","0.0009","23.9731","0.0012","16.9345","0.0009","90","","90.625","0.001","90","","6789.2","0.6","213","2","213","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C63 H54 Ag2 Cl2 N6 O11 Pt3 S6 -","- C63 H54 Ag2 Cl2 N6 O11 Pt3 S6 -","- C252 H216 Ag8 Cl8 N24 O44 Pt12 S24 -","4","1","","Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito","A Helical Metal-Metal Bonded Chain via the Pt\ρightarrowAg Dative Bond","Journal of the American Chemical Society","2001","123","","743","744","10.1021/ja002906a","","","0.71069","MoKα","","0.0734","0.033","","","0.0833","0.1097","","","","","","0.63","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115427","17.933","0.004","28.314","0.006","29.459","0.006","90","","104.82","0.03","90","","14460","6","110","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H76 F60 N42 Ni5 Sb10 -","- C86 H70 Cl6.734 F59.388 N42 Ni5 Sb6.684 -","- C344 H280 Cl26.936 F237.552 N168 Ni20 Sb26.736 -","4","0.5","","Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar","Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons","Journal of the American Chemical Society","2001","123","","773","774","10.1021/ja002960r","","","0.71073","MoKα","","0.152","0.116","","","0.3645","0.4099","","","","","","1.069","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115428","13.924","0.005","17.071","0.005","21.94","0.005","94.458","0.005","92.51","0.005","97.79","0.005","5144","3","110","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H68 B8 F32 N36 Zn4 -","- C73 H68 B8 F32 N35 Zn4 -","- C146 H136 B16 F64 N70 Zn8 -","2","1","","Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar","Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons","Journal of the American Chemical Society","2001","123","","773","774","10.1021/ja002960r","","","0.71069","MoKα","","0.1335","0.0695","","","0.2017","0.2614","","","","","","1.035","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115429","20.377","0.004","16.634","0.003","28.283","0.006","90","","102.3","0.03","90","","9366","3","110","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H65 Cl8 N35 O32 Zn4 -","- C30 H20 Cl3.2 N13.2 O14.32 Zn1.6 -","- C300 H200 Cl32 N132 O143.2 Zn16 -","10","1.25","","Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar","Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons","Journal of the American Chemical Society","2001","123","","773","774","10.1021/ja002960r","","","0.71073","MoKα","","0.1284","0.0764","","","0.2218","0.261","","","","","","1.024","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115430","15.082","0.003","31.922","0.006","22.305","0.005","90","","104.11","0.03","90","","10415","4","110","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H73 Cl8 N36 Ni4 O33 -","- C76 H70 Cl8 N36 Ni4 O33 -","- C304 H280 Cl32 N144 Ni16 O132 -","4","1","","Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar","Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons","Journal of the American Chemical Society","2001","123","","773","774","10.1021/ja002960r","","","0.71073","MoKα","","0.197","0.0605","","","0.1477","0.2047","","","","","","0.874","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115431","10.133","0.002","9.684","0.002","38.1","0.01","90","","90.86","0.02","90","","3738.3","1.5","298.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 N9 O13 Pt2 -","- C26 N9 O13 Pt2 -","- C104 N36 O52 Pt8 -","4","1","","Yong-Shou Lin; Hanae Misawa; Jun Yamada; Kazuko Matsumoto","Synthesis of Ketonylplatinum(III) Dinuclear Complexes: Observation of the Competitive Radical vs Electrophilic Displacement in Pt(III)-Promoted C-H Bond Activation of Ketones","Journal of the American Chemical Society","2001","123","","569","575","10.1021/ja9943041","","","0.7107","MoKα","","","0.0683","","","","0.0723","","","","","","1.554","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115432","10.105","0.002","17.225","0.003","9.522","0.002","104.5","0.01","96.9","0.02","73.07","0.02","1533.1","0.5","298.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H39 N9 O13 Pt2 -","- C15 H38 N9 O13 Pt2 -","- C30 H76 N18 O26 Pt4 -","2","1","","Yong-Shou Lin; Hanae Misawa; Jun Yamada; Kazuko Matsumoto","Synthesis of Ketonylplatinum(III) Dinuclear Complexes: Observation of the Competitive Radical vs Electrophilic Displacement in Pt(III)-Promoted C-H Bond Activation of Ketones","Journal of the American Chemical Society","2001","123","","569","575","10.1021/ja9943041","","","0.7107","MoKα","","","0.0314","","","","0.0338","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115433","14.2877","0.0002","21.2552","0.0004","8.2422","0.0002","90","","90","","90","","2503.06","0.08","158","2","158","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C16 H41 Ge N Si4 -","- C16 H41 Ge N Si4 -","- C64 H164 Ge4 N4 Si16 -","4","","","Karla A. Miller; Thomas W. Watson; John E. Bender; Mark M. Banaszak Holl; Jeff W. Kampf","Intermolecular C-H Insertions and Cyclization Reactions Involving a Stable Germylene","Journal of the American Chemical Society","2001","123","","982","983","10.1021/ja0026408","","","0.71073","MoKα","","0.0635","0.0502","","","0.1174","0.1268","","","","","","1.07","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115434","11.175","0.0007","17.992","0.001","25.141","0.002","94.951","0.004","101.792","0.003","90.832","0.004","4927","0.6","150","","","","","","","","","","?","4","P -1","-P 1","2","","","","- C105 H72 Br2 Cl18 -","- C104.5 H72 Br2 Cl18.2 -","- C209 H144 Br4 Cl36.4 -","2","1","","Sepas Setayesh; Andrew C. Grimsdale; Tanja Weil; Volker Enkelmann; Klaus Müllen; Farideh Meghdadi; Emil J. W. List; Günther Leising","Polyfluorenes with Polyphenylene Dendron Side Chains: Toward Non-Aggregating, Light-Emitting Polymers","Journal of the American Chemical Society","2001","123","","946","953","10.1021/ja0031220","","","0.71073","MoKα","","","0.0828","","","","0.088","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115435","8.969","0.0007","12.5676","0.0009","15.6444","0.0012","90","","95.293","0.006","90","","1755.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O4 Se2 -","- C18 H18 O4 Se2 -","- C72 H72 O16 Se8 -","4","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.0934","0.0455","","","0.0886","0.1049","","","","","","1.018","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115436","10.7903","0.0011","15.1341","0.0012","17.7815","0.0014","90","","90","","90","","2903.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Fe2 N2 Se2 -","- C28 H36 Fe2 N2 Se2 -","- C112 H144 Fe8 N8 Se8 -","4","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.1318","0.0536","","0.129","0.0978","","","","1.054","1.154","1.154","","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115437","33.198","0.004","33.198","0.004","10.5639","0.0015","90","","90","","120","","10083","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H24 N2 O2 Se2 -","- C22 H24 N2 O2 Se2 -","- C396 H432 N36 O36 Se36 -","18","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.1336","0.05","","0.1092","0.0837","","","","1.03","1.113","1.113","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115438","8.778","0.003","12.643","0.003","20.268","0.004","90","","90","","90","","2249.3","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O2 Se2 -","- C22 H22 N2 O2 Se2 -","- C88 H88 N8 O8 Se8 -","4","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.09","0.0456","","0.1033","0.0869","","","","1.061","1.14","1.14","","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115439","7.6738","0.001","11.0274","0.0011","26.127","0.003","90","","90","","90","","2210.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 Se2 -","- C24 H24 N2 Se2 -","- C96 H96 N8 Se8 -","4","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.1525","0.0564","","0.1661","0.1015","","","","1.033","1.058","1.058","","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115440","18.912","0.003","17.042","0.003","24.318","0.004","90","","95.99","0.01","90","","7795","2","103.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H49 N11 O13.5 S Y -","- C28 H44 N11 O13.5 S Y -","- C224 H352 N88 O108 S8 Y8 -","8","2","","Shin Aoki; Hiroki Kawatani; Teruhiro Goto; Eiichi Kimura; Motoo Shiro","A Double-Functionalized Cyclen with Carbamoyl and Dansyl Groups (Cyclen = 1,4,7,10-Tetraazacyclododecane): A Selective Fluorescent Probe for Y3+ and La3+","Journal of the American Chemical Society","2001","123","","1123","1132","10.1021/ja0033786","","","1.5418","CuKalpha","","","0.0993","","","","0.2288","","","","","","1.481","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115441","35.361","0.001","13.7298","0.0005","18.5998","0.0006","90","","119.073","0.002","90","","7892.4","0.5","123.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H51 N11 O14 S Zn -","- C28 H45 N11 O14 S Zn -","- C224 H360 N88 O112 S8 Zn8 -","8","1","","Shin Aoki; Hiroki Kawatani; Teruhiro Goto; Eiichi Kimura; Motoo Shiro","A Double-Functionalized Cyclen with Carbamoyl and Dansyl Groups (Cyclen = 1,4,7,10-Tetraazacyclododecane): A Selective Fluorescent Probe for Y3+ and La3+","Journal of the American Chemical Society","2001","123","","1123","1132","10.1021/ja0033786","","","0.7107","MoKalpha","","","0.0837","","","","0.138","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115442","4.3486","0.0003","4.3486","0.0003","44.579","0.008","90","","90","","90","","843","0.17","295","2","295","2","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","neodymium gallium antimonide","neodymium gallium antimonide","","- Ga Nd Sb2 -","- Ga Nd Sb2 -","- Ga8 Nd8 Sb16 -","8","0.25","","Allison M. Mills; Arthur Mar","Layered Rare-Earth Gallium Antimonides REGaSb2 (RE= La-Nd, Sm)","Journal of the American Chemical Society","2001","123","","1151","1158","10.1021/ja003705+","","","0.71073","MoKα","","0.0462","0.0339","","","0.0684","0.0731","","","","","","1.104","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115443","4.3087","0.0005","22.093","0.004","4.3319","0.0004","90","","90","","90","","412.36","0.1","295","2","295","2","","","","","","","","3","C 2 2 21","C 2c 2","20","samarium gallium antimonide","samarium gallium antimonide","","- Ga Sb2 Sm -","- Ga Sb2 Sm -","- Ga4 Sb8 Sm4 -","4","0.5","","Allison M. Mills; Arthur Mar","Layered Rare-Earth Gallium Antimonides REGaSb2 (RE= La-Nd, Sm)","Journal of the American Chemical Society","2001","123","","1151","1158","10.1021/ja003705+","","","0.71073","MoKα","","0.0318","0.0293","","","0.0722","0.0737","","","","","","1.055","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115444","26.372","0.003","25.257","0.003","15.9775","0.0016","90","","103.804","0.002","90","","10335","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H18 Ag24 B2 F53 N3 O39 -","- C36 Ag24 B2 F53 N3.86 O39 -","- C144 Ag96 B8 F212 N15.44 O156 -","4","0.5","","Quan-Ming Wang; Thomas C. W. Mak","Elliptic Column Consolidated by Acetylide Dianion, Cyanide, and Trifluoroacetate in a Novel Quadruple Salt of Silver(I)","Journal of the American Chemical Society","2001","123","","1501","1502","10.1021/ja0028727","","","0.71073","MoKα","","0.1235","0.0657","","","0.1996","0.2311","","","","","","0.953","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115445","13.348","0.001","15.716","0.002","17.509","0.002","70.287","0.001","84.608","0.001","69.442","0.001","3236.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","00240","","","- C76 H85 Fe N4 O5 -","- C76 H85 Fe N4 O5 -","- C152 H170 Fe2 N8 O10 -","2","1","","Chen-Yu Yeh; Christopher J. Chang; Daniel G. Nocera","""Hangman"" Porphyrins for the Assembly of a Model Heme Water Channel","Journal of the American Chemical Society","2001","123","","1513","1514","10.1021/ja003245k","","","0.71073","MoKα","","0.1251","0.0545","","","0.1184","0.1473","","","","","","1.033","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4115446","6.845","0.002","17.687","0.008","10.888","0.004","90","","98.28","0.02","90","","1304.4","0.9","297.2","","297.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H F12 I O2 -","- C8 H F12 I O2 -","- C32 H4 F48 I4 O8 -","4","1","","Takayuki Kawashima; Kazuhisa Hoshiba; Naokazu Kano","Synthesis, Structure, and Reactions of a Tricoordinate 1,2-Iodoxetane","Journal of the American Chemical Society","2001","123","","1507","1508","10.1021/ja003393a","","","0.7107","MoKα","","0.0493","0.0505","","0.075","","0.0766","","","0.724","","","0.72","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115447","8.764","0.005","11.259","0.005","14.458","0.005","90","","93.13","0.02","90","","1424.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 I3 N2 S2 -","- C6 H10 I3 N2 S2 -","- C24 H40 I12 N8 S8 -","4","0.5","","Francesco Bigoli; Paola Deplano; Maria Laura Mercuri; Maria Angela Pellinghelli; Gloria Pintus; Angela Serpe; Emanuele F. Trogu","N,N'-Dimethylpiperazinium-2,3-dithione Triiodide, [Me2Pipdt]I3, as a Powerful New Oxidation Agent toward Metallic Platinum. Synthesis and X-ray Structures of the Reagent and the Product [Pt(Me2Pipdt)2](I3)2","Journal of the American Chemical Society","2001","123","","1788","1789","10.1021/ja0056015","","","0.71073","MoKα","","0.067","0.0447","","","0.1419","0.1509","","","","","","1.043","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115448","9.072","0.006","13.303","0.005","12.611","0.005","90","","107.99","0.02","90","","1447.5","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 I6 N4 Pt S4 -","- C12 H20 I6 N4 Pt S4 -","- C24 H40 I12 N8 Pt2 S8 -","2","0.5","","Francesco Bigoli; Paola Deplano; Maria Laura Mercuri; Maria Angela Pellinghelli; Gloria Pintus; Angela Serpe; Emanuele F. Trogu","N,N'-Dimethylpiperazinium-2,3-dithione Triiodide, [Me2Pipdt]I3, as a Powerful New Oxidation Agent toward Metallic Platinum. Synthesis and X-ray Structures of the Reagent and the Product [Pt(Me2Pipdt)2](I3)2","Journal of the American Chemical Society","2001","123","","1788","1789","10.1021/ja0056015","","","0.71073","MoKα","","0.1365","0.0506","","","0.1248","0.1393","","","","","","0.676","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115449","22.81","0.005","13.15","0.003","27.67","0.006","90","","113.48","0.03","90","","7612","3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H86 Cd4 Cl4 N2 O Se6 -","- C64 H86 Cd4 Cl4 N2 O Se6 -","- C256 H344 Cd16 Cl16 N8 O4 Se24 -","4","1","","V. N. Soloviev; A. Eichhöfer; D. Fenske; U. Banin","Size-Dependent Optical Spectroscopy of a Homologous Series of CdSe Cluster Molecules","Journal of the American Chemical Society","2001","123","","2354","2364","10.1021/ja003598j","","","0.71073","MoKα","","0.0708","0.0513","","","0.1372","0.151","","","","","","0.685","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115450","25.441","0.004","25.441","0.004","20.308","0.004","90","","90","","90","","13144","4","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C108 H144 Cd10 P4 Se16 -","- C108 H144 Cd10 P4 Se16 -","- C432 H576 Cd40 P16 Se64 -","4","0.25","","V. N. Soloviev; A. Eichhöfer; D. Fenske; U. Banin","Size-Dependent Optical Spectroscopy of a Homologous Series of CdSe Cluster Molecules","Journal of the American Chemical Society","2001","123","","2354","2364","10.1021/ja003598j","","","0.71073","MoKα","","0.0716","0.0528","","","0.1462","0.1594","","","","","","1.107","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115451","32.664","0.004","32.664","0.004","32.664","0.004","90","","90","","90","","34850","7","200","2","200","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C300 H304 Cd25 Cl4 O6 P4 Se41 -","- C276 Cd25 Cl4 O6 P4 Se41 -","- C1104 Cd100 Cl16 O24 P16 Se164 -","4","0.0833333","","V. N. Soloviev; A. Eichhöfer; D. Fenske; U. Banin","Size-Dependent Optical Spectroscopy of a Homologous Series of CdSe Cluster Molecules","Journal of the American Chemical Society","2001","123","","2354","2364","10.1021/ja003598j","","","0.71073","MoKα","","0.0645","0.0476","","","0.1311","0.1447","","","","","","1.013","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115452","16.7447","0.0006","18.4217","0.0007","17.3976","0.0005","90","","116.619","0.001","90","","4797.7","0.3","296.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H68 B Ca N O7 -","- C51 H67 B Ca N O7 -","- C204 H268 B4 Ca4 N4 O28 -","4","1","","Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi","Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes","Journal of the American Chemical Society","2001","123","","2165","2175","10.1021/ja0036110","","","0.7107","MoKα","","","0.0649","","","","0.1706","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115453","13.2719","0.0009","15.321","0.001","12.3308","0.0007","108.05","0.003","94.392","0.002","99.524","0.002","2329.1","0.3","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H66 B Mg N O6 -","- C50 H66 B Mg N O6 -","- C100 H132 B2 Mg2 N2 O12 -","2","1","","Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi","Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes","Journal of the American Chemical Society","2001","123","","2165","2175","10.1021/ja0036110","","","0.7107","MoKα","","","0.0761","","","","0.1633","","","","","","1.489","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115454","19.3828","0.0009","17.9403","0.0008","30.596","0.001","90","","107.374","0.0008","90","","10153.8","0.7","296.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H140 B2 N2 O15 Sr2 -","- C102 H133 B2 N2 O15 Sr2 -","- C408 H532 B8 N8 O60 Sr8 -","4","1","","Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi","Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes","Journal of the American Chemical Society","2001","123","","2165","2175","10.1021/ja0036110","","","0.7107","MoKα","","","0.113","","","","0.2484","","","","","","1.482","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115455","35.486","0.002","17.9443","0.0009","17.8958","0.0008","90","","104.803","0.001","90","","11017.3","1","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H78 B Ca N O9 -","- C53 H78 B Ca N O9 -","- C424 H624 B8 Ca8 N8 O72 -","8","1","","Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi","Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes","Journal of the American Chemical Society","2001","123","","2165","2175","10.1021/ja0036110","","","0.7107","MoKα","","","0.0757","","","","0.1804","","","","","","1.307","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115456","20.11351","0.00022","19.92999","0.00026","13.40977","0.00019","90","","90","","90","","5375.47","0.12","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O2 Si -","- O2 Si -","- O192 Si96 -","96","12","","Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò","Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study","Journal of the American Chemical Society","2001","123","","2204","2212","10.1021/ja003657t","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4115457","20.07147","0.00028","19.90742","0.00032","13.38532","0.00023","90","","90","","90","","5348.39","0.15","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O2 Si -","- O2 Si -","- O192 Si96 -","96","12","","Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò","Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study","Journal of the American Chemical Society","2001","123","","2204","2212","10.1021/ja003657t","powder diffraction","","","","","","","","","","","","","1.54","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4115458","20.12825","0.00031","19.9449","0.0004","13.41945","0.00026","90","","90","","90","","5387.32","0.17","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O2 Si -","- O2 Si -","- O192 Si96 -","96","12","","Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò","Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study","Journal of the American Chemical Society","2001","123","","2204","2212","10.1021/ja003657t","powder diffraction","","","","","","","","","","","","","1.57","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4115459","6.0506","0.0006","17.507","0.002","22.199","0.002","90","","90","","90","","2351.5","0.4","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 O2 -","- C27 H42 O2 -","- C108 H168 O8 -","4","1","","Teck-Peng Loh; Qi-Ying Hu; Li-Ting Ma","Formation of Tetrahydrofuran from Homoallylic Alcohol via a Tandem Sequence: 2-Oxonia [3,3]-Sigmatropic Rearrangement/Cyclization Catalyzed by In(OTf)3","Journal of the American Chemical Society","2001","123","","2450","2451","10.1021/ja005831j","","","0.71073","MoKα","","0.1264","0.0721","","","0.1474","0.1689","","","","","","0.981","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115460","10.552","0.006","18.024","0.011","13.083","0.008","90","","98.296","0.012","90","","2462","3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","compound 34","","","- C23 H40 O6 -","- C23 H40 O6 -","- C92 H160 O24 -","4","2","","Kenji Kinoshita; Paul G Williard; Chaitan Khosla; David E. Cane","Precursor-Directed Biosynthesis of 16-Membered Macrolides by the Erythromycin Polyketide Synthase","Journal of the American Chemical Society","2001","123","","2495","2502","10.1021/ja004139l","","","0.71073","MoKα","","0.1527","0.0829","","","0.1929","0.2361","","","","","","1.009","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115461","21.523","0.002","23.449","0.003","7.3211","0.0008","90","","90","","90","","3694.9","0.7","183","2","183","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C144 H176 N48 O48 -","16","1","","Lakshmaiah Gingipalli; Peter C. Dedon","Reaction of cis- and trans-2-Butene-1,4-dial with 2'-Deoxycytidine to Form Stable Oxadiazabicyclooctaimine Adducts","Journal of the American Chemical Society","2001","123","","2664","2665","10.1021/ja0056421","","","0.71073","MoKα","","0.0465","0.0435","","","0.096","0.0971","","","","","","1.145","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115462","27.8463","0.0014","36.2391","0.0016","18.928","0.001","90","","90","","90","","19100.7","1.6","200","3","200","3","","","","","","","crystal provided by K. Severin","7","P c c n","-P 2ab 2ac","56","Ru-C5H3NO2-C10H14-NaCl","","","- C48 H54 Cl N3 Na O6 Ru3 -","- C48 H54 Cl N3 Na O6 Ru3 -","- C768 H864 Cl16 N48 Na16 O96 Ru48 -","16","2","","Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin","A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+","Journal of the American Chemical Society","2001","123","","2699","2700","10.1021/ja005804t","","","0.71073","MoKα","","0.0518","0.0395","","","0.1078","0.1128","","","","","","0.994","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115463","9.8458","0.0007","11.7704","0.0008","21.5444","0.0015","97.819","0.008","90.981","0.008","100.83","0.008","2427.2","0.3","200","3","200","3","","","","","","","crystal provided by K. Severin","5","P -1","-P 1","2","Ru-C5H3NO2-C10H14","","","- C48.5 H65 N3 O11 Ru3 -","- C48.5 H55 N3 O11 Ru3 -","- C97 H110 N6 O22 Ru6 -","2","1","","Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin","A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+","Journal of the American Chemical Society","2001","123","","2699","2700","10.1021/ja005804t","","","0.71073","MoKα","","0.0276","0.0235","","","0.0632","0.0646","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115464","11.1892","0.0002","14.4902","0.00029","18.7244","0.0004","105.12","0.0009","95.4252","0.0009","102.472","0.0008","2824.7","0.1","200","2","200","3","","","","","","","crystal provided by K. Severin","7","P -1","-P 1","2","Ru-C5H3NO2-C10H14-LiCl","","","- C59 H69 Cl Li N3 O7 Ru3 -","- C59 H69 Cl Li N3 O7 Ru3 -","- C118 H138 Cl2 Li2 N6 O14 Ru6 -","2","1","","Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin","A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+","Journal of the American Chemical Society","2001","123","","2699","2700","10.1021/ja005804t","","","0.71073","MoKα","","0.0588","0.038","","","0.1064","0.1498","","","","","","1.198","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115465","10.9561","0.0009","8.4306","0.0005","21.382","0.002","90","","94.836","0.011","90","","1967.9","0.3","220","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dibutylamino-thiophen-2-ylmethylene-4-methyl-2,6-dioxo- 1,2,5,6-tetrahydropyridine-3-carbonitrile","","","- C20 H25 N3 O2 S -","- C20 H25 N3 O2 S -","- C80 H100 N12 O8 S4 -","4","1","","Frank Würthner; Sheng Yao; Joachim Schilling; Rüdiger Wortmann; Mesfin Redi-Abshiro; Erwin Mecher; Francisco Gallego-Gomez; Klaus Meerholz","ATOP Dyes. Optimization of a Multifunctional Merocyanine Chromophore for High Refractive Index Modulation in Photorefractive Materials","Journal of the American Chemical Society","2001","123","","2810","2824","10.1021/ja002321g","","","0.71073","MoKα","","0.0658","0.0405","","","0.0975","0.1043","","","","","","0.92","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115466","17.6048","0.0006","17.6048","0.0006","26.653","0.001","90","","90","","120","","7153.8","0.4","173.2","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C98 H80 As3 La O9 -","- C101 H68 As3 La O11 -","- C303 H204 As9 La3 O33 -","3","0.5","","Tetsuhiro Nemoto; Takashi Ohshima; Kentaro Yamaguchi; Masakatsu Shibasaki","Catalytic Asymmetric Epoxidation of Enones Using La-BINOL-Triphenylarsine Oxide Complex: Structural Determination of the Asymmetric Catalyst","Journal of the American Chemical Society","2001","123","","2725","2732","10.1021/ja004201e","","","0.7107","MoKα","","","0.0544","","","","0.082","","","","","","1.845","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115467","9.0758","0.0002","20.0931","0.0005","9.8574","0.0002","90","","109.627","0.002","90","","1693.16","0.07","173.2","","173.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H41 F3 O3 Si -","- C38 H41 F3 O3 Si -","- C76 H82 F6 O6 Si2 -","2","1","","Atsushi Kawachi; Hirofumi Maeda; Hiroshi Nakamura; Noriyuki Doi; Kohei Tamao","Chirality Transfer during the [2,3]-sila-Wittig Rearrangement and Cyclopropanation Reaction of Optically Active [(sec-Allyloxy)silyl]lithiums","Journal of the American Chemical Society","2001","123","","3143","3144","10.1021/ja003749i","","","0.7107","MoKα","","0.0514","0.0514","","","0.0723","0.072","","","","","","0.976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115468","11.1315","0.0011","11.4183","0.0011","12.4438","0.0013","106.269","0.012","105.153","0.012","111.573","0.011","1289","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","[K(cryptand)]H3BCO2H","Potassium (4,7,13,16,21,24-hexaoxa-1,10-diazobicyclo[8.8.8]hexacosane) boranocarbonate","","- C19 H40 B K N2 O8 -","- C19 H40 B K N2 O8 -","- C38 H80 B2 K2 N4 O16 -","2","1","","Roger Alberto; Kirstin Ortner; Nigel Wheatley; Roger Schibli; August P. Schubiger","Synthesis and Properties of Boranocarbonate: A Convenient in Situ CO Source for the Aqueous Preparation of [99mTc(OH2)3(CO)3]+","Journal of the American Chemical Society","2001","123","","3135","3136","10.1021/ja003932b","","","0.71073","MoKα","","0.0878","0.0448","","","0.0988","0.107","","","","","","0.821","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115469","15.134","0.003","47.621","0.008","22.431","0.004","90","","91.947","0.002","90","","16157","5","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C324 H368 B8 Cl4 La4 N20 O52 -","- C324 H278 B8 Cl4 La4 N20 O52 -","- C648 H556 B16 Cl8 La8 N40 O104 -","2","1","","De-Liang Long; Alexander J. Blake; Neil R. Champness; Claire Wilson; Martin Schröder","Lanthanum Coordination Networks Based on Unusual Five-Connected Topologies","Journal of the American Chemical Society","2001","123","","3401","3402","10.1021/ja0030461","","","0.71073","MoKα","","0.111","0.091","","","0.22","0.23","","","","","","1.11","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4115470","48.422","0.007","21.958","0.003","15.814","0.002","90","","90","","90","","16814","4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C92.5 H98 B3 La N5 O12.5 -","- C92.505 H92 B3 La N5 O12.51 -","- C740.04 H736 B24 La8 N40 O100.08 -","8","1","","De-Liang Long; Alexander J. Blake; Neil R. Champness; Claire Wilson; Martin Schröder","Lanthanum Coordination Networks Based on Unusual Five-Connected Topologies","Journal of the American Chemical Society","2001","123","","3401","3402","10.1021/ja0030461","","","0.71073","MoKα","","0.134","0.081","","","0.164","0.192","","","","","","1.147","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4115471","15.963","0.001","11.278","0.001","15.269","0.001","90","","93.842","0.004","90","","2742.7","0.3","123.2","","123.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 O3 P -","- C31 H37 O3 P -","- C124 H148 O12 P4 -","4","1","","Junji Kobayashi; Kei Goto; Takayuki Kawashima","5-Carbaphosphatranes: The First Main Group Atrane Bearing a 1-5 Covalent Bond","Journal of the American Chemical Society","2001","123","","3387","3388","10.1021/ja0056264","","","0.7107","MoKα","","0.0907","0.055","","0.113","","0.058","","","7.541","","","3.84","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115472","23.5389","0.0009","23.5389","0.0009","12.1031","0.0007","90","","90","","90","","6706.1","0.5","153","2","153","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","clathrate-III","","","- Cs3.75 Na0.31 Sn20.33 -","- Cs3.75 Na0.305 Sn20.33 -","- Cs30 Na2.44 Sn162.64 -","8","0.5","","Svilen Bobev; Slavi C. Sevov","Clathrate III of Group 14 Exists After All","Journal of the American Chemical Society","2001","123","","3389","3390","10.1021/ja010010f","","","0.71073","MoKα","","0.0592","0.0546","","","0.0999","0.1041","","","","","","1.304","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115473","23.5566","0.0009","23.5566","0.0009","12.104","0.0009","90","","90","","90","","6716.7","0.6","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","clathrate-III","","","- Cs3.75 Na0.36 Sn20.29 -","- Cs3.75 Na0.37 Sn20.29 -","- Cs30 Na2.96 Sn162.32 -","8","0.5","","Svilen Bobev; Slavi C. Sevov","Clathrate III of Group 14 Exists After All","Journal of the American Chemical Society","2001","123","","3389","3390","10.1021/ja010010f","","","0.71073","MoKα","","0.1037","0.0824","","","0.1534","0.1611","","","","","","1.204","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115474","23.49","0.001","23.49","0.001","12.087","0.001","90","","90","","90","","6669.4","0.7","293","2","293","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","clathrate-III","","","- Cs1.72 Na0.35 Rb2.03 Sn20.31 -","- Cs1.712 Na0.345 Rb2.038 Sn20.305 -","- Cs13.696 Na2.76 Rb16.304 Sn162.44 -","8","0.5","","Svilen Bobev; Slavi C. Sevov","Clathrate III of Group 14 Exists After All","Journal of the American Chemical Society","2001","123","","3389","3390","10.1021/ja010010f","","","0.71073","MoKα","","0.0987","0.0542","","","0.0761","0.0861","","","","","","1.058","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115475","13.06","0.003","19.961","0.006","19.985","0.006","90","","90","","90","","5210","3","291","2","291","2","","","","","","","synthesis as described","6","F 2 2 2","F 2 2","22","","","","- C14 H10 Cl0.5 K0.5 Mo O8 -","- C14 H6 Cl0.5 K0.5 Mo O8 -","- C112 H48 Cl4 K4 Mo8 O64 -","8","0.5","","Teerayuth Liwporncharoenvong; Rudy L. Luck","Quadruply Bonded Dimolybdenum Atoms Surrounded by Dendrons: Preparation, Characterization, and Electrochemistry","Journal of the American Chemical Society","2001","123","","3615","3616","10.1021/ja0155130","","x-ray","0.71073","Mokα","","0.1034","0.079","","","0.2367","0.2517","","","","","","1.212","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115476","23.873","0.005","11.955","0.004","22.234","0.004","90","","116.47","0.01","90","","5680","3","296.2","","296.2","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C53 H69 O3 P Pd2 Ru2 S4 Ti2 -","- C53 H57 O3 P Pd2 Ru2 S4 Ti2 -","- C212 H228 O12 P4 Pd8 Ru8 S16 Ti8 -","4","1","","Shigeki Kuwata; Shin-ichiro Kabashima; Youichi Ishii; Masanobu Hidai","A Ti2Ru2Pd2 Oxo-Sulfido Cluster Synthesized by Linking Two Rationally Preorganized TiRuPdS2 Heterotrimetallic Units with an Oxo Ligand: Its Reaction with an Alkyne","Journal of the American Chemical Society","2001","123","","3826","3827","10.1021/ja0040666","","","0.7107","MoKα","","0.0405","0.0405","","","0.0471","0.0471","","","","","","1.539","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115477","25.129","0.004","25.477","0.004","18.786","0.003","90","","90","","90","","12027","3","294.2","","294.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H71 O6 P Pd2 Ru2 S4 Ti2 -","- C58 H71 O6 P Pd2 Ru2 S4 Ti2 -","- C464 H568 O48 P8 Pd16 Ru16 S32 Ti16 -","8","1","","Shigeki Kuwata; Shin-ichiro Kabashima; Youichi Ishii; Masanobu Hidai","A Ti2Ru2Pd2 Oxo-Sulfido Cluster Synthesized by Linking Two Rationally Preorganized TiRuPdS2 Heterotrimetallic Units with an Oxo Ligand: Its Reaction with an Alkyne","Journal of the American Chemical Society","2001","123","","3826","3827","10.1021/ja0040666","","","0.7107","MoKα","","0.0476","0.0476","","","0.0479","0.0479","","","","","","1.464","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115478","8.598","0.002","12.995","0.003","13.081","0.002","75.36","0.02","87.35","0.02","82.3","0.02","1401.2","0.5","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 F3 O3 S9 -","- C21 H24 F3 O3 S9 -","- C42 H48 F6 O6 S18 -","2","1","","Michel Giffard; Gilles Mabon; Emmanuel Leclair; Nicolas Mercier; Magali Allain; Alain Gorgues; Philippe Molinié; Ojars Neilands; Pnina Krief; Vladimir Khodorkovsky","Oxidation of TTF Derivatives Using (Diacetoxyiodo)benzene: a General Chemical Route toward Cation Radicals, Dications, and Nonstoichiometric Salts","Journal of the American Chemical Society","2001","123","","3852","3853","10.1021/ja0058839","","","0.71073","Mo-Kα","","0.139","0.047","","0.155","","0.069","","","2.697","","","1.152","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115479","21.53","0.007","7.9538","0.0009","15.846","0.006","90","","72.79","0.04","90","","2592.1","1.4","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F6 O7 S10 -","- C14 H8 F6 O7 S10 -","- C56 H32 F24 O28 S40 -","4","1","","Michel Giffard; Gilles Mabon; Emmanuel Leclair; Nicolas Mercier; Magali Allain; Alain Gorgues; Philippe Molinié; Ojars Neilands; Pnina Krief; Vladimir Khodorkovsky","Oxidation of TTF Derivatives Using (Diacetoxyiodo)benzene: a General Chemical Route toward Cation Radicals, Dications, and Nonstoichiometric Salts","Journal of the American Chemical Society","2001","123","","3852","3853","10.1021/ja0058839","","","0.71073","Mo-Kα","","0.183","0.047","","0.223","","0.064","","","4.48","","","1.254","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115480","18.704","0.003","18.704","0.003","3.7792","0.0007","90","","90","","120","","1145","0.3","299","1","299","1","","","","","","","Synthesized in the laboratory of R. C. Haddon.","2","R 3 m :H","R 3 -2""","160","Perchlorophenalenyl","Perchlorophenalenyl","","- C13 Cl9 -","- C13 Cl9 -","- C39 Cl27 -","3","0.166667","","P. A. Koutentis; Y. Chen; Y. Cao; T. P. Best; M. E. Itkis; L. Beer; R. T. Oakley; A. W. Cordes; C. P. Brock; R. C. Haddon","Perchlorophenalenyl Radical","Journal of the American Chemical Society","2001","123","","3864","3871","10.1021/ja0018015","","","0.71073","MoKα","","0.041","0.04","","","0.1","0.1","","","","","","1.07","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115481","13.328","0.0013","17.41","0.0017","29.76","0.003","90","0.009","90","0.009","90","0.009","6905.5","1.2","100","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C56 H98 O36.078 -","- C56 H98 O36.079 -","- C224 H392 O144.316 -","4","1","","John J. Stezowski; William Parker; Sherri Hilgenkamp; Maria Gdaniec","Pseudopolymorphism in Tetradeca-2,6-O-methyl-β-cyclodextrin: The Crystal Structures for Two New Hydrates Conformational Variability in the Alkylated β-Cyclodextrin Molecule","Journal of the American Chemical Society","2001","123","","3919","3926","10.1021/ja002164l","","","0.71073","MoKα","","0.117","0.07","","0.154","","0.116","","","1.154","","","1.29","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4115482","13.976","0.007","20.763","0.007","28.807","0.008","90","","90","","90","","8359","6","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C56 H97 O49.7 -","- C56 H97 O49.7 -","- C224 H388 O198.8 -","4","1","","John J. Stezowski; William Parker; Sherri Hilgenkamp; Maria Gdaniec","Pseudopolymorphism in Tetradeca-2,6-O-methyl-β-cyclodextrin: The Crystal Structures for Two New Hydrates Conformational Variability in the Alkylated β-Cyclodextrin Molecule","Journal of the American Chemical Society","2001","123","","3919","3926","10.1021/ja002164l","","","0.71073","MoKα","","0.133","0.088","","0.166","","0.142","","","1.24","","","1.545","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4115483","12.635","0.004","21.115","0.006","29.197","0.008","91.602","0.006","102.387","0.006","91.953","0.006","7599","4","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","K(K-crypt)5[Bi3Mo2(CO)6]2*3en","","- C108 H204 Bi6 K6 Mo4 N16 O42 -","- C108 H204.04 Bi6 K6 Mo4 N16 O42 -","- C216 H408.08 Bi12 K12 Mo8 N32 O84 -","2","1","","Li Xu; Angel Ugrinov; Slavi C. Sevov","Stabilization of Ozone-like [Bi3]3- in the Heteroatomic closo-Clusters [Bi3Cr2(CO)6]3- and [Bi3Mo2(CO)6]3-","Journal of the American Chemical Society","2001","123","","4091","4092","10.1021/ja0038732","","","0.71073","MoKα","","0.1724","0.1303","","","0.3148","0.3386","","","","","","1.088","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115484","12.679","0.003","17.724","0.002","18.254","0.002","71.31","0.01","81.37","0.03","78.82","0.02","3794.9","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","K(K-crypt)5[Bi3Cr2(CO)6]2*3en","","- C106 H196 Bi6 Cr4 K6 N14 O42 -","- C106 H196.02 Bi6 Cr4 K6 N14 O42 -","- C106 H196.02 Bi6 Cr4 K6 N14 O42 -","1","0.5","","Li Xu; Angel Ugrinov; Slavi C. Sevov","Stabilization of Ozone-like [Bi3]3- in the Heteroatomic closo-Clusters [Bi3Cr2(CO)6]3- and [Bi3Mo2(CO)6]3-","Journal of the American Chemical Society","2001","123","","4091","4092","10.1021/ja0038732","","","0.71073","MoKα","","0.1899","0.0765","","","0.1665","0.2175","","","","","","1.002","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115485","12.4636","0.0007","19.092","0.001","25.5423","0.0014","104.284","0.001","92.547","0.001","100.368","0.001","5768.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H83.5 Mo6 N3 O18.25 -","- C43 H80.14 Mo6 N3 O18.25 -","- C172 H320.56 Mo24 N12 O73 -","4","2","","Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng","An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates","Journal of the American Chemical Society","2001","123","","4083","4084","10.1021/ja004033q","","","0.71073","MoKα","","0.0936","0.054","","","0.1235","0.1437","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115486","12.4358","0.0005","19.0658","0.0008","25.4922","0.0011","103.726","0.001","92.319","0.001","99.787","0.001","5765.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H83 I Mo6 N3 O18.5 -","- C41.5 H80.53 I Mo6 N3 O18.5 -","- C166 H322.12 I4 Mo24 N12 O74 -","4","2","","Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng","An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates","Journal of the American Chemical Society","2001","123","","4083","4084","10.1021/ja004033q","","","0.71073","MoKα","","0.0728","0.0564","","","0.1457","0.1566","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115487","12.1352","0.001","12.4919","0.001","19.6515","0.0016","107.323","0.001","97.324","0.001","100.018","0.001","2749.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H81 Mo6 N3 O18 -","- C40 H81 Mo6 N3 O18 -","- C80 H162 Mo12 N6 O36 -","2","1","","Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng","An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates","Journal of the American Chemical Society","2001","123","","4083","4084","10.1021/ja004033q","","","0.71073","MoKα","","0.0924","0.068","","","0.1549","0.1663","","","","","","1.064","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115488","13.3842","0.0007","17.2197","0.0009","16.3424","0.0009","90","","100.512","0.001","90","","3703.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H114 Mo8 N6 O28 -","- C50 H114 Mo8 N6 O28 -","- C100 H228 Mo16 N12 O56 -","2","0.5","","Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng","An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates","Journal of the American Chemical Society","2001","123","","4083","4084","10.1021/ja004033q","","","0.71073","MoKα","","0.0298","0.0231","","","0.0591","0.0614","","","","","","1.104","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115489","16.633","0.002","14.7594","0.0014","23.571","0.002","90","","90","","90","","5786.5","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","cis-Dimethyl(bis(dicyclohexylphosphino)methane)palladium(II)","","- C27 H52 P2 Pd -","- C27 H52 P2 Pd -","- C216 H416 P16 Pd8 -","8","1","","Steven M. Reid; Joel T. Mague; Mark J. Fink","Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes","Journal of the American Chemical Society","2001","123","","4081","4082","10.1021/ja0056062","","","0.71073","MoKα","","0.1015","0.039","","","0.1004","0.1202","","","","","","1.019","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115490","16.3049","0.0014","19.636","0.002","16.8965","0.0018","90","","105.713","0.01","90","","5207.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Mu-bis(bis(dicyclohexylphosphino)methane)dipalladium(Pd-Pd)","","- C50 H92 P4 Pd2 -","- C50 H92 P4 Pd2 -","- C200 H368 P16 Pd8 -","4","1","","Steven M. Reid; Joel T. Mague; Mark J. Fink","Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes","Journal of the American Chemical Society","2001","123","","4081","4082","10.1021/ja0056062","","","0.71073","MoKα","","0.1303","0.0386","","","0.0948","0.1112","","","","","","1.061","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115491","12.4484","0.0013","11.1542","0.0009","16.7454","0.0013","90","","103.242","0.007","90","","2263.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-Tetramethylbis(mu-bis(dimethylphosphino)methane)dipalladium(II)","","- C7 H20 P2 Pd -","- C7 H20 P2 Pd -","- C56 H160 P16 Pd8 -","8","2","","Steven M. Reid; Joel T. Mague; Mark J. Fink","Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes","Journal of the American Chemical Society","2001","123","","4081","4082","10.1021/ja0056062","","","0.71073","MoKα","","0.0421","0.0241","","","0.062","0.066","","","","","","1.073","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115492","14.687","0.0003","20.6491","0.0003","27.5075","0.0002","90","","90","","90","","8342.3","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C99 H90 Cl4 N4 Ru -","- C99 H90 Cl4 N4 Ru -","- C396 H360 Cl16 N16 Ru4 -","4","1","","Chi-Ming Che; Jie-Sheng Huang; Fu-Wa Lee; Yan Li; Tat-Shing Lai; Hoi-Lun Kwong; Pang-Fei Teng; Wing-Sze Lee; Wai-Cheung Lo; Shie-Ming Peng; Zhong-Yuan Zhou","Asymmetric Inter- and Intramolecular Cyclopropanation of Alkenes Catalyzed by Chiral Ruthenium Porphyrins. Synthesis and Crystal Structure of a Chiral Metalloporphyrin Carbene Complex","Journal of the American Chemical Society","2001","123","","4119","4129","10.1021/ja001416f","","","0.71073","MoKα","","0.1421","0.0808","","0.2101","0.1756","","","","1.017","1.081","1.081","","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115493","14.2648","0.0011","18.1252","0.0014","16.7048","0.0013","90","","98.612","0.002","90","","4270.4","0.6","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C98 H92 Cl6 N4 O2 Ru -","- C98 H81 Cl7 N4 O2 Ru -","- C196 H162 Cl14 N8 O4 Ru2 -","2","1","","Chi-Ming Che; Jie-Sheng Huang; Fu-Wa Lee; Yan Li; Tat-Shing Lai; Hoi-Lun Kwong; Pang-Fei Teng; Wing-Sze Lee; Wai-Cheung Lo; Shie-Ming Peng; Zhong-Yuan Zhou","Asymmetric Inter- and Intramolecular Cyclopropanation of Alkenes Catalyzed by Chiral Ruthenium Porphyrins. Synthesis and Crystal Structure of a Chiral Metalloporphyrin Carbene Complex","Journal of the American Chemical Society","2001","123","","4119","4129","10.1021/ja001416f","","","0.71073","MoKα","","0.0804","0.0614","","","0.1518","0.163","","","","","","0.96","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115494","8.503","0.002","17.34","0.005","6.5329","0.0013","94.07","0.02","110.73","0.02","89.36","0.02","898.5","0.4","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F6 P S16 -","- C24 H24 F6 P0.5 S16 -","- C24 H24 F6 P0.5 S16 -","1","0.5","","Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi","New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-]","Journal of the American Chemical Society","2001","123","","4174","4180","10.1021/ja002290p","","","0.7107","MoKα","","0.0559","0.056","","0.054","","0.054","","","1.985","","","1.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115495","8.523","0.003","17.449","0.005","6.518","0.002","93.95","0.02","110.74","0.02","89.13","0.02","904.3","0.5","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 As F6 S16 -","- C24 H24 As0.5 F6 S16 -","- C24 H24 As0.5 F6 S16 -","1","0.5","","Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi","New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-]","Journal of the American Chemical Society","2001","123","","4174","4180","10.1021/ja002290p","","","0.7107","MoKα","","0.0562","0.056","","0.063","","0.063","","","2.053","","","2.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115496","8.579","0.001","17.636","0.002","6.514","0.001","93.79","0.01","110.75","0.01","89","0.01","919.6","0.2","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F6 S16 Sb -","- C24 H24 F6 S16 Sb0.5 -","- C24 H24 F6 S16 Sb0.5 -","1","0.5","","Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi","New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-]","Journal of the American Chemical Society","2001","123","","4174","4180","10.1021/ja002290p","","","0.7107","MoKα","","0.0377","0.038","","0.034","","0.034","","","1.966","","","1.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115497","7.3915","0.0015","3.7723","0.0008","6.9434","0.0014","90","","90","","90","","193.6","0.07","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Te Zr -","- Te Zr -","- Te4 Zr4 -","4","0.5","","Gissur Örlygsson; Bernd Harbrecht","Structure, Properties, and Bonding of ZrTe (MnP Type), a Low-Symmetry, High-Temperature Modification of ZrTe (WC Type)","Journal of the American Chemical Society","2001","123","","4168","4173","10.1021/ja004164r","","","0.71073","MoKα","","0.0215","0.0212","","","0.0519","0.0519","","","","","","1.208","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115498","13.296","0.001","11.8738","0.0009","19.282","0.002","90","0.005","100.581","0.002","90","0.005","2992.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N2 O4 Pt Se2 -","- C32 H30 N2 O4 Pt Se2 -","- C128 H120 N8 O16 Pt4 Se8 -","4","1","","Vincenzo G. Albano; Magda Monari; Ida Orabona; Achille Panunzi; Francesco Ruffo","Oxidative Additions of E-E Bonds (E = Chalcogen) to Group 10 Metals: ""Tunable"" Cleavage of Se-Se Bonds by Pt(0) Complexes","Journal of the American Chemical Society","2001","123","","4352","4353","10.1021/ja005870v","","","0.71069","MoKα","","0.0766","0.0345","","","0.0616","0.0688","","","","","","0.783","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115499","7.5299","0.0006","12.4646","0.001","21.4301","0.0018","90","","90","","90","","2011.4","0.3","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","bis(guanidinium)-1,4-benzenedisulfonate, tetrahydrofuran clathrate","","","- C12 H24 N6 O7 S2 -","- C12 H24 N6 O7 S2 -","- C48 H96 N24 O28 S8 -","4","0.25","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0333","0.0318","","","0.0875","0.0883","","","","","","1.097","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115500","7.6465","0.0006","11.6218","0.0009","17.625","0.0013","90","","96.211","0.001","90","","1557.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)-1,4-benzenedisulfonate, benzene clathrate","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C52 H68 N12 O12 S4 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0514","0.0418","","","0.113","0.1158","","","","","","1.19","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115501","13.4285","0.0009","12.5989","0.0009","17.785","0.0012","90","","90","","90","","3008.9","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-1,4-benzenedisulfonate, p-xylene clathrate","","","- C12 H18 N3 O3 S -","- C12 H18 N3 O3 S -","- C96 H144 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0498","0.0344","","","0.0971","0.1031","","","","","","1.057","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115502","13.1459","0.0008","12.4292","0.0008","18.8824","0.0012","90","","90","","90","","3085.3","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-1,4-benzenedisulfonate, o-xylene clathrate","","","- C12 H18 N3 O3 S -","- C12 H18 N3 O3 S -","- C96 H144 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0608","0.0424","","","0.1201","0.1276","","","","","","1.081","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115503","13.36","0.001","12.6471","0.001","18.1682","0.0014","90","","90","","90","","3069.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-1,4-benzenedisulfonate, naphthalene clathrate","","","- C14 H16 N3 O3 S -","- C14 H16 N3 O3 S -","- C112 H128 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.055","0.0326","","","0.0795","0.0851","","","","","","1.026","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115504","6.2166","0.0003","7.1847","0.0004","13.1213","0.0007","74.725","0.001","83.331","0.001","85.826","0.001","560.98","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)-2,6-naphthalenedisulfonate, benzene clathrate","","","- C9 H12 N3 O3 S -","- C9 H12 N3 O3 S -","- C18 H24 N6 O6 S2 -","2","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0395","0.0338","","","0.0882","0.0908","","","","","","1.037","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115505","7.2609","0.0009","7.4075","0.0009","13.1537","0.0016","89.189","0.002","77.186","0.002","62.193","0.002","606.91","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)-2,6-naphthalenedisulfonate, benzene clathrate","","","- C10 H14 N3 O3 S -","- C10 H14 N3 O3 S -","- C20 H28 N6 O6 S2 -","2","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0414","0.0343","","","0.0941","0.098","","","","","","1.075","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115506","7.5334","0.0006","12.2651","0.0009","20.6209","0.0016","90","","96.645","0.001","90","","1892.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)-2,6-naphthalenedisulfonate, o-xylene clathrate","","","- C18 H24 N3 O3 S -","- C18 H24 N3 O3 S -","- C72 H96 N12 O12 S4 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0516","0.0403","","","0.111","0.1167","","","","","","1.022","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115507","13.3756","0.0003","12.4586","0.0003","22.304","0.0005","90","","90","","90","","3716.77","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-2,6-naphthalenedisulfonate, 1-methylnaphthalene clathrate","","","- C17 H19 N3 O3 S -","- C17 H19 N3 O3 S -","- C136 H152 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0758","0.0568","","","0.1569","0.1709","","","","","","1.047","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115508","13.4471","0.0004","12.1155","0.0004","23.9856","0.0007","90","","90","","90","","3907.7","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-2,6-naphthalenedisulfonate, pyrene clathrate","","","- C22 H19 N3 O3 S -","- C22 H19 N3 O3 S -","- C176 H152 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0545","0.0371","","","0.0869","0.0927","","","","","","1.019","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115509","13.6864","0.0007","12.4544","0.0007","26.4727","0.0014","90","","90","","90","","4512.4","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-4,4'-biphenyldisulfonate, perylene clathrate","","","- C54 H44 N6 O6 S2 -","- C54 H44 N6 O6 S2 -","- C216 H176 N24 O24 S8 -","4","0.5","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0773","0.0422","","","0.1054","0.1155","","","","","","1.021","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115510","6.2024","0.0004","7.1901","0.0005","15.1836","0.001","80.859","0.001","82.235","0.001","85.208","0.001","661.06","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium) 2,6-anthracenedisulfonate, p-xylene clathrate","","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C24 H30 N6 O6 S2 -","2","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0433","0.0363","","","0.0964","0.0998","","","","","","1.07","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115511","6.2001","0.0005","7.3015","0.0006","15.145","0.0013","103.134","0.002","94.777","0.001","93.607","0.002","662.99","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)-2,6-anthracenedisulfonate, o-xylene clathrate","","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C24 H30 N6 O6 S2 -","2","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0469","0.0381","","","0.1008","0.1047","","","","","","1.064","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115512","7.4472","0.001","9.8732","0.0013","20.756","0.003","90","","94.601","0.003","90","","1521.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium) 2,6-anthracenedisulfonate, pyrene clathrate","","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0679","0.0413","","","0.0967","0.104","","","","","","0.905","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115513","7.4697","0.0008","26.627","0.003","11.8358","0.0012","90","","92.1","0.002","90","","2352.5","0.4","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","bis(guanidinium) 2,6-anthracenedisulfonate, biphenyl clathrate","","","- C52 H50 N6 O6 S2 -","- C52 H50 N6 O6 S2 -","- C104 H100 N12 O12 S4 -","2","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0924","0.0457","","","0.0702","0.0785","","","","","","0.812","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115514","13.7891","0.0012","12.3034","0.001","26.784","0.002","90","","90","","90","","4544","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium) 2,6-anthracenedisulfonate, perylene clathrate","","","- C28 H22 N3 O3 S -","- C28 H22 N3 O3 S -","- C224 H176 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0917","0.0439","","","0.0898","0.0998","","","","","","0.864","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115515","12.6576","0.0012","42.116","0.004","11.5962","0.0011","90","","90","","90","","6181.8","1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","bis(guanidinium) 1,8-octanedisulfonate","","","- C10 H28 N6 O6 S2 -","- C10 H28 N6 O6 S2 -","- C120 H336 N72 O72 S24 -","12","3","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0947","0.0541","","","0.131","0.1455","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115516","14.426","0.0011","7.4303","0.0006","22.4383","0.0017","90","","90","","90","","2405.2","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(guanidinium) 1,8-octanedisulfonate, hexane clathrate","","","- C16 H42 N6 O6 S2 -","- C13.86 H12 N6 O6 S2 -","- C55.44 H48 N24 O24 S8 -","4","0.5","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0967","0.0666","","","0.2163","0.2372","","","","","","1.075","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115517","7.5011","0.0009","12.0916","0.0018","29.989","0.004","84.585","0.011","86.477","0.009","89.229","0.01","2702.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium) 4,4'-diphenyletherdisulfonate, toluene clathrate","","","- C21 H28 N6 O7 S2 -","- C21 H28 N6 O7 S2 -","- C84 H112 N24 O28 S8 -","4","2","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.1195","0.0511","","","0.1035","0.1156","","","","","","0.877","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115518","7.4659","0.0004","13.7874","0.0008","29.0841","0.0016","90","","90","","90","","2993.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis(guanidinium) 4,4'-diphenyletherdisulfonate, acetonitrile clathrate","","","- C20 H29 N9 O7 S2 -","- C20 H29 N9 O7 S2 -","- C80 H116 N36 O28 S8 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0668","0.0564","","","0.1453","0.1493","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115519","7.5839","0.0004","14.228","0.0008","27.7485","0.0016","90","","90","","90","","2994.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis(guanidinium) 4,4'-diphenyletherdisulfonate, mesitylene, methanol clathrate","","","- C24 H36 N6 O8 S2 -","- C24 H36 N6 O8 S2 -","- C96 H144 N24 O32 S8 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0553","0.0408","","","0.1044","0.1095","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115520","7.5013","0.001","20.576","0.003","15.796","0.002","90","","90","","90","","2438.1","0.6","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","bis(guanidinium) mesitylenedisulfonate, aceteone and methanol clathrate","","","- C15 H32 N6 O8 S2 -","- C15 H32 N6 O8 S2 -","- C60 H128 N24 O32 S8 -","4","0.5","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0342","0.0317","","","0.0823","0.0833","","","","","","1.098","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115521","21.1037","0.0008","7.5867","0.0004","19.3182","0.0008","90","","90","","90","","3093","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(guanidinium) 2-methoxy-4,6-dimethyl-1,5-benzenedisulfonate, tetrahydrofuran clathrate","","","- C9.5 H19 N3 O4.5 S -","- C9.5 H19 N3 O4.5 S -","- C76 H152 N24 O36 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.1901","0.0967","","","0.2432","0.2827","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115522","24.365","0.003","28.629","0.004","15.257","0.001","90","","90","","90","","10642","2","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C29 H24 N4 O9 -","- C29 H24 N4 O9 -","- C464 H384 N64 O144 -","16","0.5","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.0881","0.0689","","","0.1821","0.1969","","","","","","1.163","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115523","13.139","0.006","13.139","0.006","23.087","0.013","90","","90","","90","","3986","3","294","2","294","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C39.5 H28 N6 O13 -","- C39.5 H28 N6 O13 -","- C158 H112 N24 O52 -","4","0.5","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.2288","0.1463","","","0.4051","0.4464","","","","","","1.335","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115524","13.055","0.0018","13.055","0.0018","22.754","0.005","90","","90","","90","","3878","1.1","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C29 H19.33 N4.67 O9.33 -","- C29 H19.3333 N4.66667 O9.33333 -","- C174 H116 N28 O56 -","6","0.75","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1339","0.0565","","","0.1046","0.1451","","","","","","1.047","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115525","18.34","0.002","15.68","0.002","18.216","0.002","90","","90","","90","","5238.4","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C57 H39 Br N8 O17 -","- C56 H36 Br N8 O17 -","- C224 H144 Br4 N32 O68 -","4","0.5","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.2805","0.0651","","","0.1732","0.2389","","","","","","0.904","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115526","18.236","0.002","15.685","0.001","18.191","0.001","90","","90","","90","","5203.2","0.7","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28.5 H20 N4 O8.5 -","- C28.5 H18 N4 O8.5 -","- C228 H144 N32 O68 -","8","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1113","0.0792","","","0.1711","0.1884","","","","","","1.218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115527","18.257","0.004","15.668","0.003","18.333","0.004","90","","90","","90","","5244.2","1.9","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H21 N4 O8.5 -","- C29 H21 N4 O8.5 -","- C232 H168 N32 O68 -","8","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.2195","0.0775","","","0.2171","0.2392","","","","","","0.99","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115528","18.246","0.004","15.668","0.003","18.237","0.004","90","","90","","90","","5213.6","1.9","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H21 N4 O8 -","- C29 H21 N4 O8 -","- C232 H168 N32 O64 -","8","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.172","0.055","","","0.1343","0.2","","","","","","1.306","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115529","18.228","0.004","15.645","0.003","18.205","0.004","90","","90","","90","","5191.6","1.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H36 Cl N8 O16 -","- C56 H36 Cl N8 O16 -","- C224 H144 Cl4 N32 O64 -","4","0.5","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1395","0.0605","","","0.1629","0.2103","","","","","","1.153","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115530","22.276","0.001","22.276","0.001","25.348","0.001","90","","90","","120","","10893","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C25.33333 H16.33333 Cl N4 O8 -","- C25.3333 H16.3333 Cl N4 O8 -","- C456 H294 Cl18 N72 O144 -","18","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1455","0.0483","","0.1616","0.1331","","","","1.036","1.284","1.284","","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4115531","15.437","0.002","15.437","0.002","15.437","0.002","93.02","0.01","93.02","0.01","93.02","0.01","3662.8","0.8","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C25.33333 H16.33333 Br N4 O8 -","- C25.3333 H16.3333 Br N4 O8 -","- C152 H98 Br6 N24 O48 -","6","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1067","0.0704","","","0.1301","0.1434","","","","","","1.228","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4115532","15.427","0.002","15.427","0.002","15.427","0.002","91.73","0.01","91.73","0.01","91.73","0.01","3666.4","0.8","293","2","293","2","","","","","","","","4","R -3 :R","-P 3*","148","","","","- C26 H18.33 N4.33 O8.33 -","- C26 H18.34 N4.33333 O8.33333 -","- C156 H110.04 N26 O50 -","6","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.0886","0.0696","","","0.1707","0.1835","","","","","","1.173","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115533","9.968","0.001","13.147","0.001","15.747","0.001","72.4","0.01","80.83","0.01","88.49","0.01","1941.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H40 N4 O8 -","- C43 H40 N4 O8 -","- C86 H80 N8 O16 -","2","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.087","0.0711","","","0.1981","0.2139","","","","","","1.109","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115534","10.9385","0.0006","10.9385","0.0006","15.9633","0.0012","90","","90","","90","","1910","0.2","294","2","294","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C33 H27 N5 O8 -","- C33 H18 N5 O8 -","- C66 H36 N10 O16 -","2","0.25","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1272","0.1071","","","0.2829","0.2888","","","","","","1.946","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115535","18.642","0.003","18.706","0.004","34.164","0.006","90","","97.36","0.05","90","","11815","4","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H26 N4 O8 -","- C33 H26 N4 O8 -","- C528 H416 N64 O128 -","16","2","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.2244","0.0759","","","0.2183","0.2484","","","","","","0.919","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115536","9.886","0.001","37.5","0.004","6.5844","0.0007","90","","90","","90","","2441","0.4","212.8","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 O5 -","- C26 H44 O5 -","- C104 H176 O20 -","4","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.0666","","","","0.1154","","","","","","1.553","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115537","17.829","0.01","18.906","0.004","8.282","0.001","90","","90","","90","","2791.7","1.7","288.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 N O5 -","- C28 H47 N O5 -","- C112 H188 N4 O20 -","4","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.0599","","","","0.1553","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115538","17.772","0.003","19.183","0.003","8.406","0.001","90","","90","","90","","2865.8","0.7","288.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H47 N O5 -","- C28 H46 N O5 -","- C112 H184 N4 O20 -","4","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.1147","","","","0.2602","","","","","","2.199","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115539","14.718","0.003","26.601","0.005","8.294","0.001","90","","90","","90","","3247.2","1","212.7","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 O6 -","- C34 H52 O6 -","- C136 H208 O24 -","4","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.0852","","","","0.229","","","","","","1.217","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115540","14.101","0.002","8.036","0.002","15.75","0.01","90","","114.144","0.004","90","","1628.6","1.1","213.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H52 O6 -","- C36 H55 O6 -","- C72 H110 O12 -","2","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.1013","","","","0.2499","","","","","","1.403","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115541","14.02","0.01","7.933","0.002","15.804","0.004","90","","109.07","0.05","90","","1661.3","1.4","209.8","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H54 O5 -","- C37 H54 O5 -","- C74 H108 O10 -","2","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0","","","","0.1896","","","","","","1.416","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115542","12.4478","0.0004","19.9561","0.0006","17.2865","0.0005","90","","110.752","0.001","90","","4015.5","0.2","293","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Fe(O2CarTol)2(tmeda)]","","","- C48 H50 Fe N2 O4 -","- C48 H50 Fe N2 O4 -","- C192 H200 Fe4 N8 O16 -","4","1","","Dongwhan Lee; Stephen J. Lippard","Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase","Journal of the American Chemical Society","2001","123","","4611","4612","10.1021/ja0100930","","","0.71073","MoKα","","0.0679","0.0406","","","0.0926","0.102","","","","","","1.024","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115543","11.6032","0.0003","14.0661","0.0002","15.2839","0.0004","101.305","0.001","108.13","0.001","108.161","0.001","2130.68","0.09","293","2","188","2","","","","","","","","6","P -1","-P 1","2","[Fe2(m-O2CArTol)2(O2CArTol)2(N,N-Me2en)2]","","","- C94 H92 Cl4 Fe2 N4 O8 -","- C94 H92 Cl3.844 Fe2 N4 O8 -","- C94 H92 Cl3.844 Fe2 N4 O8 -","1","0.5","","Dongwhan Lee; Stephen J. Lippard","Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase","Journal of the American Chemical Society","2001","123","","4611","4612","10.1021/ja0100930","","","0.71073","MoKα","","0.0566","0.0413","","","0.1042","0.112","","","","","","1.015","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115544","11.3953","0.0005","14.7207","0.0007","15.2957","0.0007","77.836","0.001","72.173","0.001","82.162","0.001","2380.64","0.19","188","2","188","2","","","","","","","","5","P -1","-P 1","2","[Fe2(m-O2CArTol)2(O2CArTol)2(N,N-Bn2en)2]","","","- C116 H104 Fe2 N4 O8 -","- C116 H104 Fe2 N4 O8 -","- C116 H104 Fe2 N4 O8 -","1","0.5","","Dongwhan Lee; Stephen J. Lippard","Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase","Journal of the American Chemical Society","2001","123","","4611","4612","10.1021/ja0100930","","","0.71073","MoKα","","0.1258","0.0553","","","0.1184","0.1447","","","","","","0.917","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115545","15.0043","0.0018","16.907","0.002","24.019","0.003","95.57","0.002","108.017","0.002","104.939","0.002","5493.9","1.2","188","2","188","2","","","","","","","","6","P -1","-P 1","2","[Fe2(m-OH)2(m-O2CArTol)(O2CArTol)3(N-Bnen)(N,N-Bn2en)]","","","- C123.5 H109 Cl2 Fe2 N4 O10 -","- C123.5 H109 Cl2 Fe2 N4 O10 -","- C247 H218 Cl4 Fe4 N8 O20 -","2","1","","Dongwhan Lee; Stephen J. Lippard","Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase","Journal of the American Chemical Society","2001","123","","4611","4612","10.1021/ja0100930","","","0.71073","MoKα","","0.0845","0.0546","","","0.157","0.179","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115546","13.1394","0.0001","23.1711","0.0003","5.6267","0.0001","90","","90","","90","","1713.07","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié","Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs","Journal of the American Chemical Society","2001","123","","4469","4474","10.1021/ja010222c","","","0.71069","MoKα","","0.0392","0.0358","","0.0835","0.0814","","","","1.044","1.051","1.051","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115547","12.7757","0.0003","22.5429","0.0005","5.7753","0.0001","90","","90","","90","","1663.29","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C64 H92 N4 O20 -","4","1","","Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié","Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs","Journal of the American Chemical Society","2001","123","","4469","4474","10.1021/ja010222c","","","0.71069","MoKα","","0.051","0.0456","","0.1078","0.1038","","","","1.163","1.168","1.168","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115548","11.5479","0.0014","5.9499","0.0007","14.0742","0.0011","90","","110.759","0.007","90","","904.24","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C32 H56 N4 O10 -","2","1","","Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié","Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs","Journal of the American Chemical Society","2001","123","","4469","4474","10.1021/ja010222c","","","0.71069","MoKα","","0.0631","0.0574","","0.1426","0.1364","","","","1.152","1.158","1.158","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115549","18.549","0.006","5.323","0.002","13.214","0.004","90","","108.631","0.005","90","","1236.3","0.7","288.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 F14 S6 -","- C24 F14 S6 -","- C48 F28 S12 -","2","0.5","","Youichi Sakamoto; Shingo Komatsu; Toshiyasu Suzuki","Tetradecafluorosexithiophene: The First Perfluorinated Oligothiophene","Journal of the American Chemical Society","2001","123","","4643","4644","10.1021/ja015712j","","","0.7107","MoKα","","","0.06","","","","0.1729","","","","","","0.892","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115550","8.774","0.002","11.073","0.003","11.469","0.003","72.3","0.003","68.293","0.003","71.564","0.003","959.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","8,8-Di(methoxymethyl)-2,5,10,10-tetramethyltricyclo[4.3.2.0]undeca-1(6)-ene -3,4-dicarboximide","","- C21 H31 N O4 -","- C21 H31 N O4 -","- C42 H62 N2 O8 -","2","1","","Toshihiro Nishikawa; Hirotada Kakiya; Hiroshi Shinokubo; Koichiro Oshima","Novel [2 + 2 + 2] Annulation of 1,6-Diynes Mediated by Methallylchromate or Methallylmagnesium Chloride under CrCl3 Catalysis","Journal of the American Chemical Society","2001","123","","4629","4630","10.1021/ja015746r","","","0.71073","MoKα","","0.0475","0.0416","","","0.1146","0.1188","","","","","","1.066","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115551","13.3136","0.0017","25.346","0.003","15.93","0.002","90","","105.392","0.002","90","","5182.7","1.1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H26 F20 N4 O2 Os -","- C59 H21 F20 N4 O2 Os -","- C236 H84 F80 N16 O8 Os4 -","4","1","","Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che","Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes","Journal of the American Chemical Society","2001","123","","4843","4844","10.1021/ja003184q","","","0.71073","MoKα","","0.063","0.039","","","0.0994","0.1142","","","","","","0.734","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115552","16.7755","0.0015","15.3103","0.0013","25.012","0.002","90","","95.515","0.002","90","","6394.3","0.9","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H34 Cl2 F20 N4 O2 Os -","- C71 H28 Cl2 F20 N4 O2 Os -","- C284 H112 Cl8 F80 N16 O8 Os4 -","4","1","","Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che","Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes","Journal of the American Chemical Society","2001","123","","4843","4844","10.1021/ja003184q","","","0.71073","MoKα","","0.0701","0.047","","","0.1264","0.1415","","","","","","0.932","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115553","12.792","0.004","18.517","0.006","27.674","0.008","90","","100.532","0.006","90","","6445","3","294","2","294","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C59 H24 Cl2 F20 N6 O4 Os S2 -","- C59 H22 Cl2 F20 N6 O4 Os S2 -","- C236 H88 Cl8 F80 N24 O16 Os4 S8 -","4","1","","Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che","Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes","Journal of the American Chemical Society","2001","123","","4843","4844","10.1021/ja003184q","","","0.71073","MoKα","","0.1177","0.0718","","","0.1775","0.1979","","","","","","1.117","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115554","14.507","0.003","13.088","0.002","12.321","0.003","90","","114.013","0.005","90","","2136.9","0.8","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H12 F20 N4 O3 Os -","- C46 H8 F20 N4 O4 Os -","- C92 H16 F40 N8 O8 Os2 -","2","0.5","","Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che","Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes","Journal of the American Chemical Society","2001","123","","4843","4844","10.1021/ja003184q","","","0.71073","MoKα","","0.0615","0.0366","","","0.0925","0.1132","","","","","","0.748","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115555","12.487","0.002","7.1123","0.0006","13.738","0.002","90","","98.68","0.08","90","","1206.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","9a","(1-((1,1-dimethyl-2-trifluoroacetyl)hydrazonim)methyl-C,O) methyldichlorosilicon(IV)","","- C6 H11 Cl2 F3 N2 O Si -","- C6 H11 Cl2 F3 N2 O Si -","- C24 H44 Cl8 F12 N8 O4 Si4 -","4","1","","Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost","Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons","Journal of the American Chemical Society","2001","123","","4709","4716","10.1021/ja004118r","","","0.71073","MoKα","","0.0458","0.0387","","","0.1075","0.1127","","","","","","1.048","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115556","11.311","0.002","17.41","0.004","19.369","0.004","90","","95.2","0.03","90","","3798.5","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Chloro-bridged disiloxane (15)","bis-[(1-((1,1-dimethyl-2-benzoylhydrazonium)methyl-C,O)methyl]disiloxane dichloride","","- C24.5 H34.5 Cl9.5 N4 O3 Si2 -","- C24.5 H34.5 Cl9.5 N4 O3 Si2 -","- C98 H138 Cl38 N16 O12 Si8 -","4","1","","Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost","Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons","Journal of the American Chemical Society","2001","123","","4709","4716","10.1021/ja004118r","","","0.71073","MoKα","","0.0785","0.0406","","","0.0854","0.0963","","","","","","0.865","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115557","6.1313","0.0011","21.369","0.004","6.79","0.0012","90","","98.496","0.004","90","","879.9","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","11b","(N-(dimethylamino)formimidato-N,O) (1-((1,1-dimethyl-2-formylhydrazonium)methyl-C,O)methylsilicon(IV) chloride","","- C9 H20 Cl4 N4 O2 Si -","- C9 H20 Cl4 N4 O2 Si -","- C18 H40 Cl8 N8 O4 Si2 -","2","1","","Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost","Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons","Journal of the American Chemical Society","2001","123","","4709","4716","10.1021/ja004118r","","","0.71073","MoKα","","0.0904","0.0863","","","0.2323","0.2364","","","","","","1.074","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115558","12.7198","0.0002","12.7198","0.0002","34.1068","0.0002","90","","90","","90","","5518.25","0.13","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H28 Cl2 N2 Si Zr -","- C30 H28 Cl2 N2 Si Zr -","- C240 H224 Cl16 N16 Si8 Zr8 -","8","1","","John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer","Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts","Journal of the American Chemical Society","2001","123","","4763","4773","10.1021/ja004266h","","","0.71073","MoKα","","0.0404","0.0374","","","0.128","0.1323","","","","","","1.135","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115559","9.5183","0.0002","35.7383","0.0003","8.8314","0.0002","90","","91.6932","0.0011","90","","3002.85","0.1","243","2","243","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cl2 S2 Si Zr -","- C32 H30 Cl2 S2 Si Zr -","- C128 H120 Cl8 S8 Si4 Zr4 -","4","1","","John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer","Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts","Journal of the American Chemical Society","2001","123","","4763","4773","10.1021/ja004266h","","","0.71073","MoKα","","0.1318","0.0985","","","0.2486","0.2727","","","","","","1.808","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115560","11.7096","0.0002","12.6751","0.0002","12.7721","0.0002","96.9974","0.0007","106.851","0.0005","100.266","0.0003","1754.64","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H36 Cl4 S2 Si Zr -","- C35 H36 Cl4 S2 Si Zr -","- C70 H72 Cl8 S4 Si2 Zr2 -","2","1","","John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer","Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts","Journal of the American Chemical Society","2001","123","","4763","4773","10.1021/ja004266h","","","0.71073","MoKα","","0.044","0.041","","","0.1926","0.2026","","","","","","0.959","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115561","13.7403","0.0002","17.3226","0.0002","26.3308","0.0003","90","","91.647","0.0002","90","","6264.61","0.14","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33.5 H32 Cl3 N Si Zr -","- C33 H31 Cl2 N Si Zr -","- C264 H248 Cl16 N8 Si8 Zr8 -","8","1","","John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer","Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts","Journal of the American Chemical Society","2001","123","","4763","4773","10.1021/ja004266h","","","0.71073","MoKα","","0.0544","0.0455","","","0.1408","0.1505","","","","","","1.162","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115562","16.9197","0.0007","19.477","0.001","12.7815","0.0005","96.889","0.002","101.353","0.005","75.1","0.009","3980.1","0.3","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H31 N3 S2 -","- C48 H31 N3 S2 -","- C192 H124 N12 S8 -","4","2","","Simi K. Pushpan; Alagar Srinivasan; Venkataramanarao G. Anand; Sundararaman Venkatraman; Tavarekere K. Chandrashekar; Bhavani S. Joshi; Raja Roy; Hiroyuki Furuta","N-Confused Expanded Porphyrin: First Example of a Modified Sapphyrin with an Inverted N-Confused Pyrrole Ring","Journal of the American Chemical Society","2001","123","","5138","5139","10.1021/ja010673x","","","0.7107","MoKα","","0.075","0.075","","0.124","","0.124","","","0.438","","","0.44","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115563","23.7992","0.0014","6.2196","0.0004","4.6385","0.0003","90","","90","","90","","686.6","0.07","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H7 Au Cl N -","- C4 H7 Au Cl N -","- C16 H28 Au4 Cl4 N4 -","4","0.5","","Robert E. Bachman; Michael S. Fioritto; Susan K. Fetics; T. Matthew Cocker","The Structural and Functional Equivalence of Aurophilic and Hydrogen Bonding: Evidence for the First Examples of Rotator Phases Induced by Aurophilic Bonding","Journal of the American Chemical Society","2001","123","","5376","5377","10.1021/ja0056217","","","0.71073","MoKα","","0.1038","0.088","","","0.2092","0.22","","","","","","1.241","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115564","4.4742","0.0002","6.3259","0.0003","10.0957","0.0003","90","","96.167","0.001","90","","284.09","0.02","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H5 Au Cl N -","- C3 H5 Au Cl N -","- C6 H10 Au2 Cl2 N2 -","2","1","","Robert E. Bachman; Michael S. Fioritto; Susan K. Fetics; T. Matthew Cocker","The Structural and Functional Equivalence of Aurophilic and Hydrogen Bonding: Evidence for the First Examples of Rotator Phases Induced by Aurophilic Bonding","Journal of the American Chemical Society","2001","123","","5376","5377","10.1021/ja0056217","","","0.71073","MoKα","","0.0582","0.0538","","","0.1355","0.1383","","","","","","1.042","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115565","10.911","0.001","17.975","0.002","6.865","0.001","90","","90","","90","","1346.4","0.3","298.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N S -","- C14 H23 N S -","- C56 H92 N4 S4 -","4","1","","Ilya D. Gridnev; Masaya Yasutake; Natsuka Higashi; Tsuneo Imamoto","Asymmetric Hydrogenation of Enamides with Rh-BisP* and Rh-MiniPHOS Catalysts. Scope, Limitations, and Mechanism","Journal of the American Chemical Society","2001","123","","5268","5276","10.1021/ja010161i","","","1.5418","CuKα","","","0.0487","","","","0.0658","","","","","","1.708","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115566","5.827","0.005","9.154","0.006","19.59","0.01","90.76","0.03","92.54","0.03","81.82","0.03","1033.3","1.2","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H26 O3 -","- C26 H26 O3 -","- C52 H52 O6 -","2","1","","Frédéric Robert; Anne Milet; Yves Gimbert; Denés Konya; Andrew E. Greene","Regiochemistry in the Pauson-Khand Reaction: Has a Trans Effect Been Overlooked?","Journal of the American Chemical Society","2001","123","","5396","5400","10.1021/ja004170n","","","0.7107","MoKα","","0.0624","0.0624","","0.0566","","0.0566","","","1.987","","","1.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115567","11.1076","0.0009","11.871","0.002","14.655","0.002","80.769","0.005","70.036","0.005","77.303","0.005","1764.2","0.4","173","","173","","","","","","","","Synthetic","4","P -1","-P 1","2","Ti4_BHMPC_ETOH","","","- C66 H86 O26 Ti4 -","- C66 H54 O26 Ti4 -","- C66 H54 O26 Ti4 -","1","0.5","","Adel Rammal; Frédéric Brisach; Marc Henry","Molecular Recognition of Titanium(IV) Alkoxides by 2,6-Bis(hydroxymethyl)-p-cresol in the Crystal Engineering of Hybrid Organic-Inorganic Networks","Journal of the American Chemical Society","2001","123","","5612","5613","10.1021/ja0156136","","","0.71073","Mo-Kα","","0.193","0.082","","0.515","","0.104","","","6.92","","","1.03","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115568","12.8922","0.0004","14.1422","0.0004","22.8758","0.0004","81.271","0.006","77.401","0.006","81.55","0.006","3995.1","0.2","173","","173","","","","","","","","Synthetic","5","P -1","-P 1","2","Ti4_BHMPC_CHCL3","","","- C131 H162 Cl18 O49 Ti8 -","- C131 H108 Cl18 O49 Ti8 -","- C131 H108 Cl18 O49 Ti8 -","1","0.5","","Adel Rammal; Frédéric Brisach; Marc Henry","Molecular Recognition of Titanium(IV) Alkoxides by 2,6-Bis(hydroxymethyl)-p-cresol in the Crystal Engineering of Hybrid Organic-Inorganic Networks","Journal of the American Chemical Society","2001","123","","5612","5613","10.1021/ja0156136","","","0.71073","Mo-Kα","","0.164","0.099","","0.429","","0.122","","","5.682","","","1.264","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115569","18.6794","0.0013","13.5313","0.001","7.6028","0.0006","90","","102.196","0.003","90","","1878.3","0.2","30","2","30","2","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- O64 Si32 -","- O64 Si32 -","- O64 Si32 -","1","0.125","","Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris","Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR","Journal of the American Chemical Society","2001","123","","5453","5459","10.1021/ja015797o","","","0.6942","","","0.1277","0.0752","","","0.1631","0.1864","","","","","","1.035","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115570","18.6504","0.0013","13.4868","0.001","7.6257","0.0006","90","","101.99","0.003","90","","1876.3","0.2","240","2","240","2","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- O64 Si32 -","- O64 Si32 -","- O64 Si32 -","1","0.125","","Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris","Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR","Journal of the American Chemical Society","2001","123","","5453","5459","10.1021/ja015797o","","","0.6944","","","0.0701","0.0578","","","0.128","0.1296","","","","","","2.107","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115571","18.6277","0.0013","13.4777","0.001","7.6305","0.0006","90","","101.927","0.003","90","","1874.3","0.2","340","2","340","2","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- O64 Si32 -","- O64 Si32 -","- O64 Si32 -","1","0.125","","Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris","Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR","Journal of the American Chemical Society","2001","123","","5453","5459","10.1021/ja015797o","","","0.6944","","","0.067","0.0472","","","0.1139","0.1183","","","","","","1.236","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115572","12.195","0.0003","22.04","0.0011","16.888","0.0006","90","","143.526","0.003","90","","2698.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","TpOs[NH-p-C6H4N(c-C5H10)]Cl2","","- C23 H31 B Cl2 N8 O Os -","- C23 H31 B Cl2 N8 O Os -","- C92 H124 B4 Cl8 N32 O4 Os4 -","4","1","","Jake D. Soper; Werner Kaminsky; James M. Mayer","Activation of an Anilido Ligand for Nucleophilic Aromatic Substitution by an Oxidizing Os(IV) Center","Journal of the American Chemical Society","2001","123","","5594","5595","10.1021/ja0159214","","","0.7107","MoKα","","0.0539","0.0321","","","0.0705","0.0766","","","","","","0.977","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115573","8.603","0.0003","27.533","0.0011","10.456","0.0003","90","","97.632","0.002","90","","2454.74","0.15","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","TpOs[NH-p-C6H4N(c-C4H8)]Cl2","","- C21 H26 B Cl2 N9 Os -","- C21 H26 B Cl2 N9 Os -","- C84 H104 B4 Cl8 N36 Os4 -","4","1","","Jake D. Soper; Werner Kaminsky; James M. Mayer","Activation of an Anilido Ligand for Nucleophilic Aromatic Substitution by an Oxidizing Os(IV) Center","Journal of the American Chemical Society","2001","123","","5594","5595","10.1021/ja0159214","","","0.7107","MoKα","","0.0423","0.0317","","","0.0694","0.0729","","","","","","1.006","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115574","10.2133","0.0008","10.3016","0.0008","14.8454","0.0012","96.025","0.001","99.522","0.001","117.543","0.002","1336.1","0.18","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Cl2 Cu O9 S4 -","- C18 H34 Cl2 Cu O9 S4 -","- C36 H68 Cl4 Cu2 O18 S8 -","2","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.099","0.0479","","0.1254","0.1052","","","","0.951","1.076","1.076","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115575","10.8358","0.0005","14.8072","0.0007","17.2021","0.0008","90","","90","","90","","2760","0.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Cl2 Cu O10 S4 -","- C18 H36 Cl2 Cu O10 S4 -","- C72 H144 Cl8 Cu4 O40 S16 -","4","0.5","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.0741","0.0559","","0.1779","0.1647","","","","1.064","1.131","1.131","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115576","20.0273","0.0013","6.996","0.0004","20.2965","0.0013","90","","101.536","0.001","90","","2786.3","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Cl2 Cu O10 S4 -","- C18 H32 Cl2 Cu O10 S4 -","- C72 H128 Cl8 Cu4 O40 S16 -","4","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.1363","0.0739","","0.2492","0.207","","","","1.054","1.218","1.218","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115577","13.0498","0.0007","16.9827","0.0008","23.5634","0.0011","90","","90","","90","","5222.1","0.4","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Cl2 Cu O8 S4 -","- C18 H32 Cl2 Cu O8 S4 -","- C144 H256 Cl16 Cu8 O64 S32 -","8","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.1488","0.096","","0.2979","0.273","","","","1.053","1.264","1.264","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115578","11.537","0.0006","13.7475","0.0007","17.7187","0.0009","90","","101.785","0.001","90","","2751","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H34 Cl2 Cu O9 S4 -","- C18 H33 Cl2 Cu O9 S4 -","- C72 H132 Cl8 Cu4 O36 S16 -","4","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.0823","0.0529","","0.1646","0.1471","","","","1.034","1.125","1.125","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115579","10.916","0.002","15.602","0.003","13.66","0.003","90","","91.87","0.03","90","","2325.2","0.8","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Cl Cu O4 S4 -","- C18 H32 Cl Cu O4 S4 -","- C72 H128 Cl4 Cu4 O16 S16 -","4","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.0595","0.0374","","","0.1035","0.1094","","","","","","0.961","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115580","23.973","0.003","14.04","0.002","6.5655","0.0008","90","","90.352","0.002","90","","2209.8","0.5","298","","298","","","","","","","","synthesis as described","5","C 1 2/m 1","-C 2y","12","","disodium potassium europium octasilicate pentahydrate","","- Eu K Na2 O24 Si8 -","- Eu K Na2 O24 Si8 -","- Eu4 K4 Na8 O96 Si32 -","4","0.5","","Duarte Ananias; Artur Ferreira; João Rocha; Paula Ferreira; José P. Rainho; Cláudia Morais; Luís D. Carlos","Novel Microporous Europium and Terbium Silicates","Journal of the American Chemical Society","2001","123","","5735","5742","10.1021/ja010244z","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0493","2.35","","","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115581","23.945","0.003","14.019","0.002","6.5542","0.0007","90","","90.288","0.003","90","","2200.1","0.5","298","","298","","","","","","","","synthesis as described","5","C 1 2/m 1","-C 2y","12","","disodium potassium terbium octasilicate pentahydrate","","- K Na2 O24 Si8 Tb -","- K Na2 O24 Si8 Tb -","- K4 Na8 O96 Si32 Tb4 -","4","0.5","","Duarte Ananias; Artur Ferreira; João Rocha; Paula Ferreira; José P. Rainho; Cláudia Morais; Luís D. Carlos","Novel Microporous Europium and Terbium Silicates","Journal of the American Chemical Society","2001","123","","5735","5742","10.1021/ja010244z","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.07","2.93","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115582","9.4344","0.0009","27.089","0.003","30.133","0.003","90","","90","","90","","7701","1.4","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38.6 H56.2 N4 O8.4 -","- C38.6 H56.2 N4 O8.4 -","- C308.8 H449.6 N32 O67.2 -","8","1","","Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith","Selective Recognition of an Alkali Halide Contact Ion-Pair","Journal of the American Chemical Society","2001","123","","5847","5848","10.1021/ja0156082","","","0.71073","MoKα","","0.1753","0.0664","","","0.1268","0.1761","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115583","22.6601","0.0014","13.1202","0.0009","27.7671","0.0018","90","","103.732","0.001","90","","8019.3","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.2 H52.4 Cl K N4 O6.6 -","- C39.2 H43 Cl K N4 O6.6 -","- C313.6 H344 Cl8 K8 N32 O52.8 -","8","2","","Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith","Selective Recognition of an Alkali Halide Contact Ion-Pair","Journal of the American Chemical Society","2001","123","","5847","5848","10.1021/ja0156082","","","0.71073","MoKα","","0.1174","0.0806","","","0.2401","0.2644","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115584","23.818","0.002","11.9742","0.0012","26.727","0.003","90","","90","","90","","7622.6","1.3","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H50 Cl N4 Na O6 -","- C38 H50 Cl N4 Na O6 -","- C304 H400 Cl8 N32 Na8 O48 -","8","1","","Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith","Selective Recognition of an Alkali Halide Contact Ion-Pair","Journal of the American Chemical Society","2001","123","","5847","5848","10.1021/ja0156082","","","0.71073","MoKα","","0.0936","0.0498","","","0.1057","0.1456","","","","","","1.048","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115585","11.5136","0.0005","11.5136","0.0005","7.2291","0.0008","90","","90","","90","","958.31","0.12","173","2","173","2","","","","","","","synthesized","5","I 4/m","-I 4","87","","Catena((μ2-ν2:ν2-ethylene)-tetrakis(μ2-trifluoroacetato-O,O')- dirhodium(II,II)","","- C10 H4 F12 O8 Rh2 -","- C10 H4 F12 O8 Rh2 -","- C20 H8 F24 O16 Rh4 -","2","0.125","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina; Robert E. Taylor","A Polymeric Chain in Which μ2,η2:η2-Ethene Symmetrically Bridges Tetra(trifluoroacetato) Dirhodium Molecules","Journal of the American Chemical Society","2001","123","","5831","5832","10.1021/ja0160750","","","0.71073","MoKα","","0.0318","0.0312","","0.0794","0.0781","","","","1.117","1.118","1.118","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115586","12.468","0.002","17.667","0.003","25.111","0.004","79.81","0.02","79.28","0.02","89.99","0.02","5345.9","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H40 Fe N3 O6 -","- C25 H40 Fe N3 O6 -","- C200 H320 Fe8 N24 O48 -","8","4","","Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues","Journal of the American Chemical Society","2001","123","","6025","6039","10.1021/ja004305p","","","0.71073","MoKα","","0.1185","0.0646","","0.18","0.1576","","","","1.053","1.238","1.238","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115587","49.743","0.007","8.8465","0.0012","13.293","0.002","90","","98.9","0.02","90","","5779.2","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H45 Co N3 O7.5 -","- C26 H45 Co N3 O7.5 -","- C208 H360 Co8 N24 O60 -","8","1","","Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues","Journal of the American Chemical Society","2001","123","","6025","6039","10.1021/ja004305p","","","0.71073","MoKα","","0.1022","0.0544","","0.1585","0.1292","","","","1.014","1.12","1.12","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115588","7.3937","0.0006","13.8182","0.0012","17.329","0.002","90","","91.293","0.012","90","","1770","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Fe N3 O4 S -","- C17 H22 Fe N3 O4 S -","- C68 H88 Fe4 N12 O16 S4 -","4","1","","Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues","Journal of the American Chemical Society","2001","123","","6025","6039","10.1021/ja004305p","","","0.71073","MoKα","","0.0294","0.025","","0.0687","0.0671","","","","1.051","1.09","1.09","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115589","27.694","0.005","27.694","0.005","13.188","0.003","90","","90","","120","","8760","3","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C25 H40.33 Co N3 O5.17 S -","- C25 H38 Co N3 O5.16667 S -","- C300 H456 Co12 N36 O62 S12 -","12","1","","Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues","Journal of the American Chemical Society","2001","123","","6025","6039","10.1021/ja004305p","","","0.71073","MoKα","","0.1601","0.0726","","0.2404","0.1652","","","","0.991","1.2","1.2","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115590","13.178","0.002","13.545","0.002","12.6211","0.0012","116.169","0.005","92.716","0.003","98.691","0.005","1982.1","0.5","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H44 N6 O2 -","- C50 H42 N6 O2 -","- C100 H84 N12 O4 -","2","1","","Hiroyuki Furuta; Tomoya Ishizuka; Atsuhiro Osuka; Hirohisa Dejima; Hidenori Nakagawa; Yuichi Ishikawa","NH Tautomerism of N-Confused Porphyrin","Journal of the American Chemical Society","2001","123","","6207","6208","10.1021/ja010237a","","","0.7107","MoKα","","0.0683","0.068","","0.073","","0.073","","","0.177","","","0.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115591","15.2671","0.0002","15.2671","0.0001","48.4117","0.0006","90","0.0007","90","0.0004","120","0.0005","9772.24","0.19","158","2","158","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C45 H66.5 Cu5 La N12.5 O26 -","- C45 H50 Cu5 La N12.5 O28.75 -","- C270 H300 Cu30 La6 N75 O172.5 -","6","1","","Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro","Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions","Journal of the American Chemical Society","2001","123","","6211","6212","10.1021/ja015610t","","","0.71073","MoKα","","0.0559","0.0541","","","0.1228","0.1239","","","","","","1.215","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115592","14.6821","0.0002","38.1937","0.0007","15.6385","0.0002","90","","117.862","0.001","90","","7752.9","0.2","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C96 H163 Cu10 La2 N20 O79 -","- C96 H108 Cu10 La2 N20 O42 -","- C192 H216 Cu20 La4 N40 O84 -","2","1","","Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro","Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions","Journal of the American Chemical Society","2001","123","","6211","6212","10.1021/ja015610t","","","0.71073","MoKα","","0.115","0.109","","","0.2968","0.3009","","","","","","1.055","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115593","15.098","0.003","28.257","0.006","16.887","0.003","90","","102.185","0.003","90","","7042","2","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C107 H128 Cu10 Gd2 N20 O43 -","- C107 H111 Cu10 Gd2 N20 O42.32 -","- C214 H222 Cu20 Gd4 N40 O84.64 -","2","1","","Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro","Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions","Journal of the American Chemical Society","2001","123","","6211","6212","10.1021/ja015610t","","","0.71073","MoKα","","0.082","0.061","","","0.1566","0.166","","","","","","1.066","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115594","5.957","0.001","15.17","0.001","7.964","0.001","90","","90","","90","","719.69","0.16","193","2","193","2","","","","","","","","3","P b c m","-P 2c 2b","57","Tetrafluorochlorine(V+)hexafluoroantimonate(V+)","","","- Cl F10 Sb -","- Cl F10 Sb -","- Cl4 F40 Sb4 -","4","0.5","","Karl O. Christe; Xiongzhi Zhang; Jeffrey A. Sheehy; Robert Bau","Crystal Structure of ClF4+SbF6-, Normal Coordinate Analyses of ClF4+, BrF4+, IF4+, SF4, SeF4, and TeF4, and Simple Method for Calculating the Effects of Fluorine Bridging on the Structure and Vibrational Spectra of Ions in a Strongly Interacting Ionic Solid","Journal of the American Chemical Society","2001","123","","6338","6348","10.1021/ja003347a","","","0.71073","MoKα","","0.0227","0.022","","0.0496","0.0493","","","","1.147","1.158","1.158","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115595","9.507","0.002","17.422","0.002","7.591","0.002","90.68","0.02","105.79","0.02","75.55","0.01","1169.5","0.4","298","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O6 -","- C25.02 H22.236 N2 O6 -","- C50.04 H44.472 N4 O12 -","2","1","","Shigeru Ohba; Hiroyuki Hosomi; Yoshikatsu Ito","In Situ X-ray Observation of Pedal-like Conformational Change and Dimerization of trans-Cinnamamide in Cocrystals with Phthalic Acid","Journal of the American Chemical Society","2001","123","","6349","6352","10.1021/ja0034287","","","0.71073","MoKα","","","0.08","","","","0.223","","","","","","1.54","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115596","9.562","0.003","17.401","0.004","7.523","0.003","90.82","0.02","105.72","0.02","75.51","0.02","1164.7","0.7","298","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C52 H48 N4 O12 -","2","1","","Shigeru Ohba; Hiroyuki Hosomi; Yoshikatsu Ito","In Situ X-ray Observation of Pedal-like Conformational Change and Dimerization of trans-Cinnamamide in Cocrystals with Phthalic Acid","Journal of the American Chemical Society","2001","123","","6349","6352","10.1021/ja0034287","","","0.71073","MoKα","","","0.041","","","","0.181","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115597","10.487","0.003","10.833","0.003","15.804","0.005","96.045","0.015","97.114","0.016","99.466","0.016","1742.8","0.9","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 F Fe N5 O -","- C42 H48 F Fe N5 O -","- C84 H96 F2 Fe2 N10 O2 -","2","1","","George B. Richter-Addo; Ralph A. Wheeler; Christopher Adam Hixson; Li Chen; Masood A. Khan; Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt","Unexpected Nitrosyl-Group Bending in Six-Coordinate {M(NO)}6σ-Bonded Aryl(iron) and -(ruthenium) Porphyrins","Journal of the American Chemical Society","2001","123","","6314","6326","10.1021/ja010276m","","","0.71073","MoKα","","0.0902","0.0628","","","0.1344","0.1496","","","","","","1.039","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115598","10.5223","0.0011","10.8549","0.0014","15.793","0.002","96.051","0.011","97.08","0.01","99.464","0.01","1751.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 F N5 O Ru -","- C42 H48 F N5 O Ru -","- C84 H96 F2 N10 O2 Ru2 -","2","1","","George B. Richter-Addo; Ralph A. Wheeler; Christopher Adam Hixson; Li Chen; Masood A. Khan; Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt","Unexpected Nitrosyl-Group Bending in Six-Coordinate {M(NO)}6σ-Bonded Aryl(iron) and -(ruthenium) Porphyrins","Journal of the American Chemical Society","2001","123","","6314","6326","10.1021/ja010276m","","","0.71073","MoKα","","0.055","0.0394","","0.1158","0.0878","","","","1.053","1.072","1.072","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115599","10.6209","0.0008","10.9386","0.0012","15.9183","0.0015","95.705","0.008","97.009","0.007","99.61","0.007","1796.2","0.3","303","2","303","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 F N5 O Ru -","- C42 H48 F N5 O Ru -","- C84 H96 F2 N10 O2 Ru2 -","2","1","","George B. Richter-Addo; Ralph A. Wheeler; Christopher Adam Hixson; Li Chen; Masood A. Khan; Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt","Unexpected Nitrosyl-Group Bending in Six-Coordinate {M(NO)}6σ-Bonded Aryl(iron) and -(ruthenium) Porphyrins","Journal of the American Chemical Society","2001","123","","6314","6326","10.1021/ja010276m","","","0.71073","MoKα","","0.0814","0.049","","0.1313","0.0982","","","","1.018","1.054","1.054","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115600","8.5581","0.0003","9.8036","0.0003","10.6673","0.0004","64.651","0.001","68.683","0.001","87.56","0.001","746.65","0.05","173","2","173","2","","","","","","","Y. Dong / Prof. L. Que","6","P 1","P 1","1","96026","","","- C25 H30 Cl2 Fe N6 O8 -","- C25 H30 Cl2 Fe N6 O8 -","- C25 H30 Cl2 Fe N6 O8 -","1","1","","Kui Chen; Lawrence Que","Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species","Journal of the American Chemical Society","2001","123","","6327","6337","10.1021/ja010310x","","","0.71073","MoKα","","0.0251","0.0245","","0.063","0.0621","","","","1.061","1.054","1.054","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115601","11.468","0.002","11.835","0.002","12.691","0.002","74.252","0.003","77.657","0.003","68.165","0.003","1526.6","0.4","173","2","173","2","","","","","","","Kui Chen, Prof. L. Que","6","P -1","-P 1","2","99139","","","- C26 H31.5 Cl2 Fe N6.5 O8 -","- C26 H31.5 Cl2 Fe N6.5 O8 -","- C52 H63 Cl4 Fe2 N13 O16 -","2","1","","Kui Chen; Lawrence Que","Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species","Journal of the American Chemical Society","2001","123","","6327","6337","10.1021/ja010310x","","","0.71073","MoKα","","0.0895","0.0426","","0.0789","0.071","","","","0.809","1.004","1.004","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115602","9.864","0.002","9.864","0.002","24.777","0.009","90","","90","","120","","2087.8","1","293","2","293","2","","","","","","","","7","P 32","P 32","145","00389","","","- C24 H20 F6 Fe N4 O6 S2 -","- C24 H20 F6 Fe N4 O6 S2 -","- C72 H60 F18 Fe3 N12 O18 S6 -","3","1","","Kui Chen; Lawrence Que","Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species","Journal of the American Chemical Society","2001","123","","6327","6337","10.1021/ja010310x","","","0.71073","MoKα","","0.0994","0.0786","","","0.2068","0.2227","","","","","","1.045","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4115603","10.0336","0.0002","16.0283","0.0004","17.3444","0.0002","90","","101.619","0.001","90","","2732.2","0.09","173","2","173","2","","","","","","","K. Chen / Prof. L. Que","6","P 1 21/n 1","-P 2yn","14","97277","","","- C26 H24 Cl2 Fe N4 O9 -","- C26 H24 Cl2 Fe N4 O9 -","- C104 H96 Cl8 Fe4 N16 O36 -","4","1","","Kui Chen; Lawrence Que","Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species","Journal of the American Chemical Society","2001","123","","6327","6337","10.1021/ja010310x","","","0.71073","MoKα","","0.1299","0.0614","","0.1437","0.1215","","","","1.005","1.171","1.171","","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00",""
"4115604","12.4242","0.0005","22.4768","0.0008","25.1848","0.0009","90","","95.457","0.001","90","","7001.1","0.5","193","","193","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H66 B2 F24 N6 O2 Pt Si -","- C61 H66 B2 F33 N6 O2 Pt Si -","- C244 H264 B8 F132 N24 O8 Pt4 Si4 -","4","1","","Stefan Reinartz; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Five-Coordinate Trispyrazolylborate Dihydridosilyl Platinum(IV) Complexes","Journal of the American Chemical Society","2001","123","","6425","6426","10.1021/ja0104047","","","0.71073","MolybdenumKα","","0.068","0.048","","0.064","0.061","","","","","2.29","2.29","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115605","10.4018","0.0006","12.1622","0.0008","9.0988","0.0006","108.935","0.003","104.073","0.003","104.779","0.002","983.65","0.11","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 Bi2 O8 -","- C84 H84 Bi4 O16 -","- C84 H84 Bi4 O16 -","1","0.5","","Yoshihiro Matano; Hazumi Nomura","Dimeric Triarylbismuthane Oxide: A Novel Efficient Oxidant for the Conversion of Alcohols to Carbonyl Compounds","Journal of the American Chemical Society","2001","123","","6443","6444","10.1021/ja010584k","","","0.7107","MoKα","","","0.0441","","","","0.1033","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115606","14.108","0.0003","9.847","0.0003","21.782","0.0004","90","","90","","90","","3025.99","0.13","130","2","130","2","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- C32 H50 N2 Pt -","- C32 H50 N2 Pt -","- C128 H200 N8 Pt4 -","4","0.5","","Ulrich Fekl; Werner Kaminsky; Karen I. Goldberg","A Stable Five-Coordinate Platinum(IV) Alkyl Complex","Journal of the American Chemical Society","2001","123","","6423","6424","10.1021/ja0156690","","","0.7107","MoKα","","0.0516","0.0348","","","0.0835","0.0892","","","","","","1.065","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115607","9.097","0.0004","13.953","0.0006","12.761","0.0006","90","","109.996","0.003","90","","1522.11","0.12","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H50 N2 Pt -","- C32 H50 N2 Pt -","- C64 H100 N4 Pt2 -","2","1","","Ulrich Fekl; Werner Kaminsky; Karen I. Goldberg","A Stable Five-Coordinate Platinum(IV) Alkyl Complex","Journal of the American Chemical Society","2001","123","","6423","6424","10.1021/ja0156690","","","0.7107","MoKα","","0.0459","0.0366","","","0.0785","0.0816","","","","","","1.091","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115608","10.296","0.001","20.146","0.002","10.392","0.001","90","","101.86","0.01","90","","2109.5","0.4","20","","20","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C44 H43 F6 Fe N O P Pd Sb -","- C88 H86 F12 Fe2 N2 O2 P2 Pd2 Sb2 -","- C88 H86 F12 Fe2 N2 O2 P2 Pd2 Sb2 -","","","","Wei-Ping Deng; Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia; Jie Sun","Importance of Planar Chirality in Chiral Catalysts with Three Chiral Elements: The Role of Planar Chirality in 2'-Substituted 1,1'-P,N-Ferrocene Ligands on the Enantioselectivity in Pd-Catalyzed Allylic Substitution","Journal of the American Chemical Society","2001","123","","6508","6519","10.1021/ja002657q","","","0.7107","MoKalpha","","","0.032","","","0.037","","","","","1.26","1.26","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115609","10.833","0.002","19.344","0.007","20.46","0.003","90","","104.64","0.01","90","","4148.3","1.8","20","","20","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C44 H43 F6 Fe N O P Pd Sb -","- C176 H172 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","- C176 H172 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","","","","Wei-Ping Deng; Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia; Jie Sun","Importance of Planar Chirality in Chiral Catalysts with Three Chiral Elements: The Role of Planar Chirality in 2'-Substituted 1,1'-P,N-Ferrocene Ligands on the Enantioselectivity in Pd-Catalyzed Allylic Substitution","Journal of the American Chemical Society","2001","123","","6508","6519","10.1021/ja002657q","","","0.7107","MoKalpha","","","0.031","","","0.038","","","","","1.56","1.56","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115610","11.8183","0.0004","12.3733","0.0004","14.3086","0.0003","104.742","0.002","113.604","0.002","100.713","0.002","1753.7","0.1","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H39 Cl2 N5 O12 Zn2 -","- C25 H39 Cl2 N5 O12 Zn2 -","- C50 H78 Cl4 N10 O24 Zn4 -","2","1","","Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard","Intermediate in β-Lactam Hydrolysis Catalyzed by a Dinuclear Zinc(II) Complex: Relevance to the Mechanism of Metallo-β-lactamase","Journal of the American Chemical Society","2001","123","","6555","6563","10.1021/ja002699e","","","0.71073","MoKα","","0.2034","0.0867","","","0.2211","0.2696","","","","","","0.903","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115611","30.78","0.004","30.78","0.004","25.831","0.005","90","","90","","90","","24473","7","193","2","193","2","","","","","","","","6","I 4","I 4","79","","","","- C176.38 H281 Ba N52 O59.5 Si8 -","- C176.39 H270.06 Ba N52.01 O59.5 Si8 -","- C705.56 H1080.24 Ba4 N208.04 O238 Si32 -","4","0.5","","Xiaodong Shi; James C. Fettinger; Jeffery T. Davis","Homochiral G-Quadruplexes with Ba2+ but Not with K+: The Cation Programs Enantiomeric Self-Recognition","Journal of the American Chemical Society","2001","123","","6738","6739","10.1021/ja004330v","","","0.71073","MoKα","","0.0994","0.0804","","","0.205","0.2203","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115612","14.6594","0.0018","25.664","0.003","9.6242","0.0016","90","","90","","90","","3620.8","0.9","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H26 Cl2 F12 N2 Pt -","- C35 H26 Cl2 F12 N2 Pt -","- C140 H104 Cl8 F48 N8 Pt4 -","4","0.5","","Lars Johansson; Olav B. Ryan; Christian Rømming; Mats Tilset","Unexpected Selectivities in C-H Activations of Toluene and p-Xylene at Cationic Platinum(II) Diimine Complexes. New Mechanistic Insight into Product-Determining Factors","Journal of the American Chemical Society","2001","123","","6579","6590","10.1021/ja010277e","","","0.71073","MoKα","","0.0679","0.0546","","","0.1204","0.129","","","","","","1.219","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115613","9.1018","0.0007","9.7593","0.0007","16.2","0.001","90","","102.135","0.001","90","","1406.85","0.17","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","00095","","","- C22 H28 F6 Fe N4 O6 S2 -","- C22 H28 F6 Fe N4 O6 S2 -","- C44 H56 F12 Fe2 N8 O12 S4 -","2","1","","Miquel Costas; Adrianne K. Tipton; Kui Chen; Du-Hwan Jo; Lawrence Que","Modeling Rieske Dioxygenases: The First Example of Iron-Catalyzed Asymmetric cis-Dihydroxylation of Olefins","Journal of the American Chemical Society","2001","123","","6722","6723","10.1021/ja015601k","","","0.71073","MoKα","","0.0319","0.0274","","","0.0606","0.0625","","","","","","1.032","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4115614","14.872","0.003","12.906","0.002","16.543","0.003","90","0.003","114.426","0.003","90","0.003","2891","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","00028","","","- C24 H32 F6 Fe N4 O6 S2 -","- C24 H32 F6 Fe N4 O6 S2 -","- C96 H128 F24 Fe4 N16 O24 S8 -","4","1","","Miquel Costas; Adrianne K. Tipton; Kui Chen; Du-Hwan Jo; Lawrence Que","Modeling Rieske Dioxygenases: The First Example of Iron-Catalyzed Asymmetric cis-Dihydroxylation of Olefins","Journal of the American Chemical Society","2001","123","","6722","6723","10.1021/ja015601k","","","0.71073","MoKα","","0.0688","0.059","","","0.1999","0.2084","","","","","","1.134","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115615","8.9289","0.0005","14.1467","0.0008","18.5624","0.0011","90","","99.235","0.001","90","","2314.3","0.2","158","2","158","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N O5 -","- C27 H31 N O5 -","- C108 H124 N4 O20 -","4","1","","William H. Pearson; Yuan Mi; Ill Young Lee; Patrick Stoy","Total Synthesis of the Kopsialapidilecta Alkaloid (\±)-Lapidilectine B","Journal of the American Chemical Society","2001","123","","6724","6725","10.1021/ja016007d","","","0.71073","MoKα","","0.1931","0.0911","","0.1606","0.1272","","","","1.086","1.282","1.282","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115616","9.6777","0.0016","12.76","0.004","12.248","0.002","90","","90.975","0.014","90","","1512.3","0.6","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","hexachlorodiphenyldiazomethane","","","- C13 H4 Cl6 N2 -","- C13 H4 Cl6 N2 -","- C52 H16 Cl24 N8 -","4","1","","Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi","Structure Analysis of a Transient Triplet Carbene Trapped in a Crystal","Journal of the American Chemical Society","2001","123","","6904","6908","10.1021/ja0106366","","","0.71073","MoKα","","0.0267","0.0218","","","0.0555","0.0567","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115617","9.731","0.002","12.813","0.004","12.254","0.003","90","","90.549","0.016","90","","1527.8","0.7","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H4 Cl6 N2 -","- C13 H4 Cl6 N2 -","- C52 H16 Cl24 N8 -","4","1","","Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi","Structure Analysis of a Transient Triplet Carbene Trapped in a Crystal","Journal of the American Chemical Society","2001","123","","6904","6908","10.1021/ja0106366","","","0.71073","MoKα","","0.0856","0.0418","","","0.0841","0.0949","","","","","","1.004","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00",""
"4115618","9.1478","0.0005","9.7682","0.0005","26.9267","0.0013","90","","93.805","0.001","90","","2400.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3R*,4R*)-3,4-epoxy-4-(hydroxydiphenyl)methyl-1-phenyl -3-trifluoromethyloct-1-yne","","- C28 H25 F3 O2 -","- C28 H25 F3 O2 -","- C112 H100 F12 O8 -","4","1","","Masaki Shimizu; Takuya Fujimoto; Hiroshi Minezaki; Takeshi Hata; Tamejiro Hiyama","New, General, and Stereoselective Synthesis of CF3-Containing Tri- and Tetrasubstituted Oxiranes and Tetrasubstituted Alkenes","Journal of the American Chemical Society","2001","123","","6947","6948","10.1021/ja016077k","","","0.71073","MoKα","","0.1064","0.0674","","","0.1923","0.2127","","","","","","0.966","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115619","9.236","0.0004","9.8058","0.0005","26.6954","0.0013","90","","96.568","0.001","90","","2401.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3R*,4R*)-3,4-epoxy-4-(hydroxydiphenyl)methyl-1-phenyl -3-trifluoromethyloct-1-ene","","- C28 H27 F3 O2 -","- C28 H27 F3 O2 -","- C112 H108 F12 O8 -","4","1","","Masaki Shimizu; Takuya Fujimoto; Hiroshi Minezaki; Takeshi Hata; Tamejiro Hiyama","New, General, and Stereoselective Synthesis of CF3-Containing Tri- and Tetrasubstituted Oxiranes and Tetrasubstituted Alkenes","Journal of the American Chemical Society","2001","123","","6947","6948","10.1021/ja016077k","","","0.71073","MoKα","","0.0864","0.0649","","","0.1878","0.2085","","","","","","1.011","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115620","5.9675","0.0005","17.107","0.0013","9.1531","0.0007","90","","104.289","0.002","90","","905.5","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H19 F3 -","- C21 H19 F3 -","- C42 H38 F6 -","2","1","","Masaki Shimizu; Takuya Fujimoto; Hiroshi Minezaki; Takeshi Hata; Tamejiro Hiyama","New, General, and Stereoselective Synthesis of CF3-Containing Tri- and Tetrasubstituted Oxiranes and Tetrasubstituted Alkenes","Journal of the American Chemical Society","2001","123","","6947","6948","10.1021/ja016077k","","","0.71073","MoKα","","0.0818","0.0635","","","0.1966","0.2127","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115621","16.2553","0.0007","16.2553","0.0007","15.0336","0.001","90","","90","","90","","3972.4","0.4","173","2","173","2","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","","","- C38 H60 O16 -","- C38 H52 O16 -","- C152 H208 O64 -","4","0.25","","Jerry L. Atwood; Leonard J. Barbour; Timothy J. Ness; Colin L. Raston; Paul L. Raston","A Well-Resolved Ice-like (H2O)8 Cluster in an Organic Supramolecular Complex","Journal of the American Chemical Society","2001","123","","7192","7193","10.1021/ja015757k","","","0.71073","MoKα","","0.084","0.0441","","","0.1096","0.1252","","","","","","0.948","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115622","6.82","0.002","10.45","0.004","10.738","0.003","85.93","0.01","80.161","0.02","87.029","0.02","751.5","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","1,5-dimethyl-3-(2-pyridyl)-6-oxoverdazyl: hydroquionone, 1:1 cocrystal","","- C15 H16 N5 O3 -","- C15 H16 N5 O3 -","- C30 H32 N10 O6 -","2","1","","Robin G. Hicks; Martin T. Lemaire; Lars Öhrström; John F. Richardson; Laurence K. Thompson; Zhiqiang Xu","Strong Supramolecular-Based Magnetic Exchange in π-Stacked Radicals. Structure and Magnetism of a Hydrogen-Bonded Verdazyl Radical: Hydroquinone Molecular Solid","Journal of the American Chemical Society","2001","123","","7154","7159","10.1021/ja010725i","","","0.7093","MolybdenumKα","","0.05","0.05","","0.081","0.081","","","","","1.04","1.04","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115623","12.0016","0.0016","17.7331","0.001","15.008","0.002","90","","115.263","0.01","90","","2888.6","0.6","150","","150","","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Br F3 N2 O4 Pt S -","- C21 H28 Br F3 N2 O4 Pt S -","- C84 H112 Br4 F12 N8 O16 Pt4 S4 -","4","1","","Martin Albrecht; Anthony L. Spek; Gerard van Koten","Carenium-Calkyl Bond Making and Breaking: Key Process in the Platinum-Mediated Caryl-Calkyl Bond Formation. Analogies to Organic Electrophilic Aromatic Substitution","Journal of the American Chemical Society","2001","123","","7233","7246","10.1021/ja003685b","","","0.71073","MoKα","","0.0544","0.0395","","","0.0922","0.0962","","","","","","1.006","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115624","10.9657","0.0012","15.9029","0.0014","11.9313","0.0011","90","","93.304","0.008","90","","2077.2","0.3","150","","150","","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 F3 I N2 O4 Pt S -","- C15 H24 F3 I N2 O4 Pt S -","- C60 H96 F12 I4 N8 O16 Pt4 S4 -","4","1","","Martin Albrecht; Anthony L. Spek; Gerard van Koten","Carenium-Calkyl Bond Making and Breaking: Key Process in the Platinum-Mediated Caryl-Calkyl Bond Formation. Analogies to Organic Electrophilic Aromatic Substitution","Journal of the American Chemical Society","2001","123","","7233","7246","10.1021/ja003685b","","","0.71073","MoKα","","0.0605","0.04","","","0.0876","0.0959","","","","","","1.046","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115625","11.168","0.0015","15.415","0.003","16.456","0.003","90","","90","","90","","2833","0.8","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Tp'Rh(CNneopentyl)(ethyl)Cl","","","- C23 H38 B Cl N7 Rh -","- C23 H38 B Cl N7 Rh -","- C92 H152 B4 Cl4 N28 Rh4 -","4","1","","Todd O. Northcutt; Douglas D. Wick; Andrew J. Vetter; William D. Jones","Investigation of the Mechanism of Alkane Reductive Elimination and Skeletal Isomerization in Tp'Rh(CNneopentyl)(R)H Complexes: The Role of Alkane Complexes","Journal of the American Chemical Society","2001","123","","7257","7270","10.1021/ja003944x","","","0.71073","MoKα","","0.0537","0.0365","","0.0962","0.0843","","","","0.616","0.594","0.594","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115626","16.6278","0.0003","13.1465","0.0003","17.4185","0.0003","90","","116.338","0.001","90","","3412.38","0.12","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tp'Rh(CNneopentyl)(n-hexyl)Cl","","","- C28 H48 B Cl3 N7 Rh -","- C28 H48 B Cl3 N7 Rh -","- C112 H192 B4 Cl12 N28 Rh4 -","4","1","","Todd O. Northcutt; Douglas D. Wick; Andrew J. Vetter; William D. Jones","Investigation of the Mechanism of Alkane Reductive Elimination and Skeletal Isomerization in Tp'Rh(CNneopentyl)(R)H Complexes: The Role of Alkane Complexes","Journal of the American Chemical Society","2001","123","","7257","7270","10.1021/ja003944x","","","0.71073","MoKα","","0.0726","0.0486","","0.1257","0.1151","","","","1.096","1.159","1.159","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115627","8.379","0.004","13.572","0.006","13.958","0.005","90","","102.78","0.04","90","","1548","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl Mo N2 O2 -","- C15.556 H14.668 Cl0.444 Mo N2 O2 -","- C62.224 H58.672 Cl1.776 Mo4 N8 O8 -","4","1","","Julio Pérez; Lucía Riera; Víctor Riera; Santiago García-Granda; Esther García-Rodríguez","Reactivity of [MoX(η3-allyl)(CO)2(N-N)] Complexes with Simple, Nonstabilized Carbanions","Journal of the American Chemical Society","2001","123","","7469","7470","10.1021/ja015538z","","","0.71073","MoKα","","0.1063","0.0415","","","0.1008","0.1234","","","","","","1.008","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00",""
"4115628","9.32","0.06","12.351","0.01","14.38","0.06","90","","100.8","0.5","90","","1626","13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl Mo N2 O2 -","- C17.246 H13.738 Cl0.754 Mo N2 O2 -","- C68.984 H54.952 Cl3.016 Mo4 N8 O8 -","4","1","","Julio Pérez; Lucía Riera; Víctor Riera; Santiago García-Granda; Esther García-Rodríguez","Reactivity of [MoX(η3-allyl)(CO)2(N-N)] Complexes with Simple, Nonstabilized Carbanions","Journal of the American Chemical Society","2001","123","","7469","7470","10.1021/ja015538z","","","0.71073","MoKα","","0.098","0.0471","","","0.1215","0.144","","","","","","1.064","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00",""
"4115629","14.2184","0.0011","20.7021","0.0015","7.5034","0.0006","90","","98.479","0.002","90","","2184.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 N4 O8 -","- C50 H52 N4 O8 -","- C100 H104 N8 O16 -","2","0.5","","Yong S. Chong; Mark D. Smith; Ken D. Shimizu","A Conformationally Programmable Ligand","Journal of the American Chemical Society","2001","123","","7463","7464","10.1021/ja0158713","","","0.71073","MoKα","","0.0609","0.0533","","","0.1554","0.162","","","","","","1.056","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115630","11.2844","0.0009","11.4009","0.0009","18.2311","0.0014","80.542","0.001","73.825","0.002","82.607","0.002","2213.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H48 Cl2 N4 O7 Pd -","- C49 H48.006 Cl2 N4 O7 Pd -","- C98 H96.012 Cl4 N8 O14 Pd2 -","2","1","","Yong S. Chong; Mark D. Smith; Ken D. Shimizu","A Conformationally Programmable Ligand","Journal of the American Chemical Society","2001","123","","7463","7464","10.1021/ja0158713","","","0.71073","MoKα","","0.0655","0.0466","","","0.1118","0.1184","","","","","","0.984","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115631","14.4792","0.0002","14.5693","0.0002","19.7456","0.0003","90","","90","","90","","4165.37","0.1","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","RuH2(R-binap)(tmen)","","","- C50 H50 N2 P2 Ru -","- C50 H50 N2 P2 Ru -","- C200 H200 N8 P8 Ru4 -","4","1","","Kamaluddin Abdur-Rashid; Michael Faatz; Alan J. Lough; Robert H. Morris","Catalytic Cycle for the Asymmetric Hydrogenation of Prochiral Ketones to Chiral Alcohols: Direct Hydride and Proton Transfer from Chiral Catalysts trans-Ru(H)2(diphosphine)(diamine) to Ketones and Direct Addition of Dihydrogen to the Resulting Hydridoamido Complexes","Journal of the American Chemical Society","2001","123","","7473","7474","10.1021/ja015902u","","","0.71073","MoKα","","0.0435","0.0342","","","0.0699","0.0739","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115632","11.196","0.0008","11.196","0.0008","72.929","0.0018","90","","90","","90","","9141.7","1","150","1","150","1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","RuHCl(R-binap)(tmen)","","","- C50 H49 Cl N2 P2 Ru -","- C50 H49 Cl N2 P2 Ru -","- C400 H392 Cl8 N16 P16 Ru8 -","8","1","","Kamaluddin Abdur-Rashid; Michael Faatz; Alan J. Lough; Robert H. Morris","Catalytic Cycle for the Asymmetric Hydrogenation of Prochiral Ketones to Chiral Alcohols: Direct Hydride and Proton Transfer from Chiral Catalysts trans-Ru(H)2(diphosphine)(diamine) to Ketones and Direct Addition of Dihydrogen to the Resulting Hydridoamido Complexes","Journal of the American Chemical Society","2001","123","","7473","7474","10.1021/ja015902u","","","0.7107","MoKα","","0.0879","0.0808","","","0.1749","0.1777","","","","","","1.219","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115633","17.833","0.002","21.556","0.005","9.518","0.002","90","","90","","90","","3658.8","1.2","20","","20","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H39 Fe N2 O3 P -","- C172 H156 Fe4 N8 O12 P4 -","- C172 H156 Fe4 N8 O12 P4 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.051","","","0.052","","","","","1.43","1.43","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115634","13.701","0.003","19.894","0.002","13.366","0.003","90","","90","","90","","3643.1","1.2","20","","20","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Fe N2 O3 P -","- C160 H164 Fe4 N8 O12 P4 -","- C160 H164 Fe4 N8 O12 P4 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.04","","","0.043","","","","","1.44","1.44","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115635","11.146","0.003","14.417","0.002","11.537","0.003","90","","103.18","0.02","90","","1805.1","0.7","20","","20","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H43 Fe N2 O3 P -","- C82 H86 Fe2 N4 O6 P2 -","- C82 H86 Fe2 N4 O6 P2 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.053","","","0.053","","","","","1.63","1.63","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115636","11.69","0.001","11.872","0.002","13.39","0.001","90","","92.229","0.008","90","","1856.9","0.4","20","","20","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H41 Fe N2 O3 P -","- C88 H82 Fe2 N4 O6 P2 -","- C88 H82 Fe2 N4 O6 P2 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.042","","","0.045","","","","","1.42","1.42","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115637","17.917","0.002","19.423","0.007","9.987","0.001","90","","90","","90","","3475.5","1.4","20","","20","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Fe N2 O3 P -","- C160 H164 Fe4 N8 O12 P4 -","- C160 H164 Fe4 N8 O12 P4 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.038","","","0.04","","","","","1.27","1.27","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115638","20.1716","0.0005","20.1716","0.0005","41.23","0.0017","90","","90","","90","","16776.2","0.9","298","2","298","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C61 H56 F24 Mn2 N4 O12 -","- C61 H56 F24 Mn2 N4 O12 -","- C488 H448 F192 Mn16 N32 O96 -","8","1","","Fabrice Mathevet; Dominique Luneau","Interpenetrated 3D Polymeric Metal-Radical Networks Built from a Tetranitroxide Radical and Bis(hexafluoroacethylacetonato) Manganese(II)","Journal of the American Chemical Society","2001","123","","7465","7466","10.1021/ja016133h","","","0.71073","MoKα","","0.2469","0.0761","","","0.2138","0.2495","","","","","","0.98","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115639","12.795","0.003","13.032","0.003","20.864","0.005","81.911","0.005","84.45","0.005","70.545","0.004","3243","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H10 Ag16 F36 O29 -","- C28 Ag16 F36 O29 -","- C56 Ag32 F72 O58 -","2","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.15","0.075","","","0.1866","0.2216","","","","","","0.91","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115640","35.465","0.003","7.8927","0.0006","31.241","0.002","90","","121.858","0.001","90","","7427.5","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H9 Ag8 F18 N3 O12 -","- C21 Ag8 F18 N2 O12 -","- C168 Ag64 F144 N16 O96 -","8","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.1195","0.0622","","","0.1791","0.2104","","","","","","0.944","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115641","17.205","0.002","32.735","0.004","27.257","0.004","90","","106.021","0.003","90","","14755","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H40 Ag31 F69 N7 O48.5 -","- C75 Ag31 F69 N7 O48.5 -","- C300 Ag124 F276 N28 O194 -","4","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.1502","0.0595","","","0.1306","0.1559","","","","","","0.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115642","15.6","0.0012","16.9494","0.0013","17.1426","0.0013","111.716","0.002","94.238","0.002","104.719","0.002","4001.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H19 Ag12 F50 O29.5 -","- C32 Ag12 F50 O29.5 -","- C64 Ag24 F100 O59 -","2","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.1348","0.0456","","","0.1062","0.1189","","","","","","0.75","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115643","16.083","0.0012","19.9707","0.0015","21.994","0.0016","90","","94.935","0.002","90","","7038","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H11 Ag11 F45 N3 O19 -","- C35 Ag11 F45 N3 O19 -","- C140 Ag44 F180 N12 O76 -","4","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.0939","0.0478","","","0.1241","0.1338","","","","","","0.816","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115644","11.685","0.003","16.439","0.004","25.22","0.006","90","","93.486","0.005","90","","4836","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H10 Ag8 F30 N2 O12 -","- C26 Ag8 F30 N2 O12 -","- C104 Ag32 F120 N8 O48 -","4","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.1365","0.0504","","","0.116","0.1442","","","","","","0.864","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115645","7.225","0.0006","7.225","0.0006","16.438","0.002","90","","90","","120","","743.11","0.13","153","2","153","2","","","","","","","","7","P 31 2 1","P 31 2""","152","none","","","- C2 H4 F2 Mo0.5 N O2 Zn0.5 -","- C2 H4 F2 Mo0.5 N O2 Zn0.5 -","- C12 H24 F12 Mo3 N6 O12 Zn3 -","6","1","","Paul A. Maggard; Charlotte L. Stern; Kenneth R. Poeppelmeier","Understanding the Role of Helical Chains in the Formation of Noncentrosymmetric Solids","Journal of the American Chemical Society","2001","123","","7742","7743","10.1021/ja016055y","","","0.71073","MoKα","","0.0234","0.0229","","","0.0549","0.0556","","","","","","0.553","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115646","9.4424","0.0015","9.4424","0.0015","9.4424","0.0015","97.93","0.01","97.93","0.01","97.93","0.01","815.2","0.2","393","2","393","2","","","","","","","","5","R 3 :R","P 3*","146","","","","- C30 H41 K O6 Si -","- C30 H43 K O6 Si -","- C30 H43 K O6 Si -","1","0.333333","","Michael J. Bearpark; G. Sean McGrady; Paul D. Prince; Jonathan W. Steed","The First Structurally Characterized Hypervalent Silicon Hydride: Unexpected Molecular Geometry and Si-H...K Interactions","Journal of the American Chemical Society","2001","123","","7736","7737","10.1021/ja0162616","","","0.71073","MoKα","","0.0862","0.0462","","","0.079","0.0933","","","","","","1.024","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115647","9.3861","0.0005","20.2252","0.001","16.5969","0.001","90","","103.54","0.003","90","","3063.1","0.3","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 K O6 Si -","- C30 H41 K O6 Si -","- C120 H164 K4 O24 Si4 -","4","1","","Michael J. Bearpark; G. Sean McGrady; Paul D. Prince; Jonathan W. Steed","The First Structurally Characterized Hypervalent Silicon Hydride: Unexpected Molecular Geometry and Si-H...K Interactions","Journal of the American Chemical Society","2001","123","","7736","7737","10.1021/ja0162616","","","0.71073","MoKα","","0.1095","0.0527","","","0.1039","0.1232","","","","","","1.018","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115648","26.574","0.004","10.2177","0.0015","28.363","0.007","90","","92.702","0.002","90","","7693","2","183","2","183","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C78 H70 Cl12 I2 O6 W -","- C78 H70 Cl12 I2 O6 W -","- C312 H280 Cl48 I8 O24 W4 -","4","0.5","","Arkadi Vigalok; Zhengguo Zhu; Timothy M. Swager","Conducting Polymers Incorporating Tungsten-Capped Calixarenes","Journal of the American Chemical Society","2001","123","","7917","7918","10.1021/ja0160142","","","0.71073","MoKα","","0.1175","0.0778","","","0.197","0.2144","","","","","","1.072","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115649","12.279","0.003","12.373","0.004","15.036","0.004","77.306","0.005","85.491","0.005","78.231","0.005","2180.3","1.1","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Cl4 O10 S2 W -","- C48 H36 Cl4 O10 S2 W -","- C96 H72 Cl8 O20 S4 W2 -","2","1","","Arkadi Vigalok; Zhengguo Zhu; Timothy M. Swager","Conducting Polymers Incorporating Tungsten-Capped Calixarenes","Journal of the American Chemical Society","2001","123","","7917","7918","10.1021/ja0160142","","","0.71073","MoKα","","0.0621","0.051","","","0.1172","0.1231","","","","","","1.079","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115650","19.7106","0.0018","22.1508","0.0019","27.13","0.002","90","","90","","90","","11845.1","1.7","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H70 Cl16 N6 Si8 -","- C28 H70 Cl16 N6 Si8 -","- C224 H560 Cl128 N48 Si64 -","8","1","","Seok-Bong Choi; Beon-Kyu Kim; Philip Boudjouk; Dean G. Grier","Amine-Promoted Disproportionation and Redistribution of Trichlorosilane: Formation of Tetradecachlorocyclohexasilane Dianion1","Journal of the American Chemical Society","2001","123","","8117","8118","10.1021/ja002831a","","","0.71073","MoKα","","0.1329","0.0638","","","0.1579","0.1967","","","","","","1.045","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115651","8.8594","0.0009","9.8398","0.001","10.4018","0.0011","117.115","0.002","102.521","0.002","98.701","0.002","754.58","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 Li2 N2 O2 -","- C30 H48 Li2 N2 O2 -","- C30 H48 Li2 N2 O2 -","1","0.5","","Hans J. Reich; Wayne S. Goldenberg; Birgir Ö. Gudmundsson; Aaron W. Sanders; Klaus J. Kulicke; Katya Simon; Ilia A. Guzei","Amine-Chelated Aryllithium Reagents Structure and Dynamics","Journal of the American Chemical Society","2001","123","","8067","8079","10.1021/ja010489b","","","0.71073","MoKα","","0.0742","0.0524","","","0.1497","0.1616","","","","","","1.013","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115652","14.4314","0.001","14.9036","0.0011","19.5363","0.0013","72.994","0.001","72.148","0.002","69.476","0.001","3664.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H107 Li6 O5 -","- C72 H106 Li6 O5 -","- C144 H212 Li12 O10 -","2","1","","Bao-Tsan Ko; Chu-Chieh Lin","Synthesis, Characterization, and Catalysis of Mixed-Ligand Lithium Aggregates, Excellent Initiators for the Ring-Opening Polymerization of l-Lactide","Journal of the American Chemical Society","2001","123","","7973","7977","10.1021/ja010604i","","","0.71073","MoKα","","0.1723","0.0828","","","0.2131","0.2453","","","","","","1.127","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115653","15.116","0.003","15.529","0.003","18.533","0.004","112.709","0.004","96.635","0.004","109.956","0.004","3615.5","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H102 Li6 O6 -","- C74 H102 Li6 O6 -","- C148 H204 Li12 O12 -","2","1","","Bao-Tsan Ko; Chu-Chieh Lin","Synthesis, Characterization, and Catalysis of Mixed-Ligand Lithium Aggregates, Excellent Initiators for the Ring-Opening Polymerization of l-Lactide","Journal of the American Chemical Society","2001","123","","7973","7977","10.1021/ja010604i","","","0.71073","MoKα","","0.1502","0.0719","","","0.1886","0.2247","","","","","","1.054","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115654","14.3036","0.0015","18.577","0.002","26.811","0.003","90","","98.519","0.002","90","","7045.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H106 Li6 O8 -","- C68 H106 Li6 O8 -","- C272 H424 Li24 O32 -","4","1","","Bao-Tsan Ko; Chu-Chieh Lin","Synthesis, Characterization, and Catalysis of Mixed-Ligand Lithium Aggregates, Excellent Initiators for the Ring-Opening Polymerization of l-Lactide","Journal of the American Chemical Society","2001","123","","7973","7977","10.1021/ja010604i","","","0.71073","MoKα","","0.2154","0.0759","","","0.1824","0.2353","","","","","","0.927","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115655","15.5294","0.0009","20.5554","0.0011","13.9577","0.0007","90","","91.62","0.002","90","","4453.7","0.4","165","2","165","2","","","","","","","synthetic","6","C 1 2/m 1","-C 2y","12","","","","- C54 H114 N6 O3 Re6 Se8 -","- C50 N9 O3 Re6 Se8 -","- C100 N18 O6 Re12 Se16 -","2","0.25","","Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance","Journal of the American Chemical Society","2001","123","","8022","8032","10.1021/ja0110473","","","0.71073","MoKα","","0.0974","0.0665","","0.1849","0.1713","","","","0.917","1.139","1.139","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115656","14.2455","0.001","14.2455","0.001","14.2455","0.001","90","","90","","90","","2890.9","0.4","174","2","174","2","","","","","","","synthetic","7","F m -3 m","-F 4 2 3","225","","","","- C18 H72 Fe4 N18 O36 Re18 Se24 -","- C18 Fe4 N18 O34.8 Re18 Se24 -","- C18 Fe4 N18 O34.8 Re18 Se24 -","1","0.00520833","","Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance","Journal of the American Chemical Society","2001","123","","8022","8032","10.1021/ja0110473","","","0.71073","MoKα","","0.0289","0.0245","","0.0672","0.0659","","","","1.148","1.23","1.23","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115657","14.23659","0.00021","14.23659","","14.23659","","90","","90","","90","","2885.48","0.04","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C4 N4 Ni O11.45 Re4 Se5.33 -","- C4.00002 N4.00002 Ni O11.4533 Re4.00002 Se5.33336 -","- C16.0001 N16.0001 Ni4 O45.8131 Re16.0001 Se21.3334 -","4","0.0208333","","Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance","Journal of the American Chemical Society","2001","123","","8022","8032","10.1021/ja0110473","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4115658","14.13025","0.00012","14.13025","","14.13025","","90","","90","","90","","2821.3","0.02","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C6 Ga N6 O8 Re6 Se8 -","- C6 Ga N6 O8 Re6 Se8 -","- C24 Ga4 N24 O32 Re24 Se32 -","4","0.0208333","","Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance","Journal of the American Chemical Society","2001","123","","8022","8032","10.1021/ja0110473","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4115659","12.7255","0.001","12.7255","0.001","13.6945","0.0015","90","","90","","120","","1920.6","0.3","157","2","157","2","","","","","","","synthetic","7","P 31 2 1","P 31 2""","152","","","","- C6 H9 Fe N6 O4 Re6 Se8 -","- C6 Fe N6 O4 Re6 Se8 -","- C18 Fe3 N18 O12 Re18 Se24 -","3","0.5","","Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance","Journal of the American Chemical Society","2001","123","","8022","8032","10.1021/ja0110473","","","0.71073","MoKα","","0.0773","0.0353","","0.0518","0.047","","","","0.84","0.959","0.959","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115660","8.643","0.002","15.147","0.003","9.364","0.002","90","","113.28","0.03","90","","1126.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C44 H64 N8 O4 -","4","1","","Helfried Neumann; Axel Jacobi von Wangelin; Dirk Gördes; Anke Spannenberg; Matthias Beller","A New Multicomponent Coupling of Aldehydes, Amides, and Dienophiles: Atom-Efficient One-Pot Synthesis of Highly Substituted Cyclohexenes and Cyclohexadienes","Journal of the American Chemical Society","2001","123","","8398","8399","10.1021/ja010503k","","","0.71073","MoKα","","0.0945","0.0562","","0.1614","0.1465","","","","0.892","1.104","1.104","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115661","12.245","0.003","16.533","0.004","21.36","0.004","90","","96.348","0.005","90","","4297.7","1.7","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H75 B F4 N2 P2 Pt -","- C41 H75 B F4 N2 P2 Pt -","- C164 H300 B4 F16 N8 P8 Pt4 -","4","1","","David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White","Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study","Journal of the American Chemical Society","2001","123","","8317","8328","10.1021/ja010628p","","","0.71073","MoKα","","0.074","0.038","","0.044","","0.04","","","1.035","","","1.155","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4115662","18.989","0.001","15.97","0.001","15.586","0.001","90","","90","","90","","4726.5","0.5","150","","150","","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C45 H46 B Cl4 F4 I N2 P2 Pt -","- C45 H46 B Cl4 F4 I N2 P2 Pt -","- C180 H184 B4 Cl16 F16 I4 N8 P8 Pt4 -","4","0.5","","David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White","Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study","Journal of the American Chemical Society","2001","123","","8317","8328","10.1021/ja010628p","","","0.71073","MoKα","","0.084","0.045","","0.056","","0.053","","","1.23","","","1.419","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4115663","13.479","0.0007","19.785","0.001","15.6967","0.0009","90","","90","","90","","4186","0.4","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C43 H62 Cl2 O P2 Pd -","- C43 H62 Cl2 O P2 Pd -","- C172 H248 Cl8 O4 P8 Pd4 -","4","1","","David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White","Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study","Journal of the American Chemical Society","2001","123","","8317","8328","10.1021/ja010628p","","","0.71073","MoKα","","0.067","0.046","","0.056","","0.05","","","1.573","","","1.599","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4115664","11.5338","0.0007","15.0977","0.0009","15.1892","0.0009","85.795","0.002","75.59","0.002","75.522","0.002","2480.2","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H79 B Cl4 F4 N2 P2 Pt -","- C43 H79 B Cl4 F4 N2 P2 Pt -","- C86 H158 B2 Cl8 F8 N4 P4 Pt2 -","2","1","","David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White","Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study","Journal of the American Chemical Society","2001","123","","8317","8328","10.1021/ja010628p","","","0.71073","MoKα","","0.086","0.045","","0.043","","0.039","","","0.949","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4115665","9.8468","0.0005","14.0391","0.0007","16.0009","0.0008","90","","90","","90","","2211.97","0.19","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichloro-{2-[2-(ethenyloxy)ethyl]pyridine}palladium(II)","","- C9 H11 Cl2 N O Pd -","- C9 H11 Cl2 N O Pd -","- C72 H88 Cl16 N8 O8 Pd8 -","8","1","","Peter Nilsson; Mats Larhed; Anders Hallberg","Highly Regioselective, Sequential, and Multiple Palladium-Catalyzed Arylations of Vinyl Ethers Carrying a Coordinating Auxiliary: An Example of a Heck Triarylation Process","Journal of the American Chemical Society","2001","123","","8217","8225","10.1021/ja011019k","","","0.71073","MoKα","","0.027","0.0218","","","0.0506","0.0519","","","","","","0.987","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00",""
"4115666","17.9444","0.0013","11.6019","0.0009","8.2731","0.0006","90","","99.22","0.002","90","","1700.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro bis-{N,N-Dimethyl-2[(2,2 diphenyl) ethenyloxy]ethanamine} palladium(II)","","- C36 H42 Cl2 N2 O2 Pd -","- C36 H42 Cl2 N2 O2 Pd -","- C72 H84 Cl4 N4 O4 Pd2 -","2","0.5","","Peter Nilsson; Mats Larhed; Anders Hallberg","Highly Regioselective, Sequential, and Multiple Palladium-Catalyzed Arylations of Vinyl Ethers Carrying a Coordinating Auxiliary: An Example of a Heck Triarylation Process","Journal of the American Chemical Society","2001","123","","8217","8225","10.1021/ja011019k","","","0.71073","MoKα","","0.0837","0.0385","","","0.0543","0.0605","","","","","","0.789","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00",""
"4115667","8.223","0.002","17.301","0.005","7.433","0.002","90","","111.931","0.005","90","","980.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro-{2-[ethenyloxymethyl]pyridine}palladium","","- C8 H9 Cl2 N O Pd -","- C8 H9 Cl2 N O Pd -","- C32 H36 Cl8 N4 O4 Pd4 -","4","1","","Peter Nilsson; Mats Larhed; Anders Hallberg","Highly Regioselective, Sequential, and Multiple Palladium-Catalyzed Arylations of Vinyl Ethers Carrying a Coordinating Auxiliary: An Example of a Heck Triarylation Process","Journal of the American Chemical Society","2001","123","","8217","8225","10.1021/ja011019k","","","0.71073","MoKα","","0.0257","0.0212","","","0.0471","0.0482","","","","","","0.955","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115668","21.2081","0.0002","14.743","0.0002","29.3458","0.0006","90","","90","","90","","9175.6","0.2","153.2","","153.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H74 Cl Fe N4 O Si2 Ta -","- C42 H64 Cl Fe N4 Si2 Ta -","- C336 H512 Cl8 Fe8 N32 Si16 Ta8 -","8","1","","Joseph A. R. Schmidt; John Arnold","Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand","Journal of the American Chemical Society","2001","123","","8424","8425","10.1021/ja016143i","","","0.7107","MoKα","","0.1067","0.0333","","0.0539","0.0372","","","","","0.875","0.875","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115669","11.5447","0.0002","13.0903","0.0001","13.6676","0.0002","63.756","0.001","84.93","0.001","77.214","0.001","1806.54","0.05","168.2","","168.2","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H60 Li N4 O Si Ta -","- C34 H60 Li N4 O Si Ta -","- C68 H120 Li2 N8 O2 Si2 Ta2 -","2","1","","Joseph A. R. Schmidt; John Arnold","Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand","Journal of the American Chemical Society","2001","123","","8424","8425","10.1021/ja016143i","","","0.7107","MoKα","","0.0264","0.0209","","0.0963","0.0696","","","","","2.736","2.736","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115670","17.1859","0.0003","19.2859","0.0003","24.3778","0.0004","90","","90","","90","","8079.9","0.2","166.2","","166.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H64 Li N4 O Si2 Ta -","- C34 H60 Li N4 O Si2 Ta -","- C272 H480 Li8 N32 O8 Si16 Ta8 -","8","1","","Joseph A. R. Schmidt; John Arnold","Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand","Journal of the American Chemical Society","2001","123","","8424","8425","10.1021/ja016143i","","","0.7107","MoKα","","0.0596","0.025","","0.0366","0.0283","","","","","0.79","0.79","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115671","11.005","0.0002","13.5425","0.0003","17.5754","0.0004","108.303","0.001","93.722","0.001","95.154","0.001","2464.74","0.09","149.2","","149.2","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H86 N4 O Rh Si2 Ta -","- C44 H86 N4 O Rh Si2 Ta -","- C88 H172 N8 O2 Rh2 Si4 Ta2 -","2","1","","Joseph A. R. Schmidt; John Arnold","Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand","Journal of the American Chemical Society","2001","123","","8424","8425","10.1021/ja016143i","","","0.7107","MoKα","","0.0557","0.0404","","0.0524","0.0444","","","","","1.436","1.436","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115672","23.7459","0.0004","16.1047","0.0002","27.4967","0.0005","90","","96.4411","0.0005","90","","10448.9","0.3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H134 Cl2 N8 O16 Zn -","- C104 H121 Cl2 N8 O16 Zn -","- C416 H484 Cl8 N32 O64 Zn4 -","4","1","","Olivier Sénèque; Marie-Noëlle Rager; Michel Giorgi; Olivia Reinaud","Supramolecular Stabilization of a Tris(imidazolyl) Zn-Aqua Complex Evidenced by X-ray Analysis: A Structural Model for Mono-Zinc Active Sites of Enzymes","Journal of the American Chemical Society","2001","123","","8442","8443","10.1021/ja016345e","","","0.7107","MoKα","","0.1114","0.084","","","0.2129","0.2404","","","","","","1.178","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115673","18.1176","0.0014","9.5777","0.0011","25.2917","0.0007","90","","100.156","0.0007","90","","4320","0.6","180.2","","180.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C43 H46 Cl4 N2 O2 P2 Ru2 -","- C43 H46 Cl4 N2 O2 P2 Ru2 -","- C172 H184 Cl16 N8 O8 P8 Ru8 -","4","1","","Craig B. Pamplin; Erin S. F. Ma; Nasser Safari; Steven J. Rettig; Brian R. James","The Nitrous Oxide Complex, RuCl2(η1-N2O)(P-N)(PPh3) (P-N = [o-(N,N-Dimethylamino)phenyl]diphenylphosphine); Low Temperature Conversion of N2O to N2 and O2","Journal of the American Chemical Society","2001","123","","8596","8597","10.1021/ja0106319","","","0.7107","MoKα","","0.1525","0.055","","0.0984","","0.04","","","1.347","","","1.347","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115674","13.312","0.008","13.982","0.009","13.995","0.009","61.16","0.02","82.34","0.02","86.58","0.02","2261","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","Li tetraaquo [B-hexamethyl 9-mercuracarborand-3]2 iodide","","","- C14 H49 B30 Hg3 I0.5 Li0.5 N O2 -","- C14 H49 B30 Hg3 I0.5 Li0.5 N O2 -","- C28 H98 B60 Hg6 I Li N2 O4 -","2","1","","Hans Lee; Carolyn B. Knobler; M. Frederick Hawthorne","Octahedral Coordination of Halide Ions (I-, Br-, Cl-) Sandwich Bonded with Tridentate Mercuracarborand-3 Receptors","Journal of the American Chemical Society","2001","123","","8543","8549","10.1021/ja010755l","","","0.71073","MoKα","","0.1635","0.0628","","0.1709","0.1286","","","","1.018","1.108","1.108","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115675","24.671","0.008","17.576","0.006","26.079","0.008","90","","106.424","0.006","90","","10847","6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","triphenylmethylphosphonium [(B-hexamethyl 9-mercuracarborand-3)2.Br]","","","- C24.5 H56.5 B30 Br0.5 Hg3 O1.5 P0.5 -","- C24.5 H55.5 B30 Br0.5 Hg3 O1.5 P0.5 -","- C196 H444 B240 Br4 Hg24 O12 P4 -","8","1","","Hans Lee; Carolyn B. Knobler; M. Frederick Hawthorne","Octahedral Coordination of Halide Ions (I-, Br-, Cl-) Sandwich Bonded with Tridentate Mercuracarborand-3 Receptors","Journal of the American Chemical Society","2001","123","","8543","8549","10.1021/ja010755l","","","0.71073","MoKα","","0.0826","0.0607","","","0.1505","0.1578","","","","","","1.075","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115676","37.267","0.015","29.254","0.012","10.99","0.004","90","","100.659","0.007","90","","11775","8","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","PPN [B-hexamethyl 9-mercuracarborand-3]2.Cl","","","- C60 H114 B60 Cl Hg6 N P2 -","- C60 H114 B60 Cl Hg6 N P2 -","- C240 H456 B240 Cl4 Hg24 N4 P8 -","4","0.5","","Hans Lee; Carolyn B. Knobler; M. Frederick Hawthorne","Octahedral Coordination of Halide Ions (I-, Br-, Cl-) Sandwich Bonded with Tridentate Mercuracarborand-3 Receptors","Journal of the American Chemical Society","2001","123","","8543","8549","10.1021/ja010755l","","","0.71073","MoKα","","0.1437","0.09","","","0.2206","0.2545","","","","","","0.968","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115677","15.3559","0.0004","21.8104","0.0006","23.3825","0.0006","100.034","0.001","100.712","0.001","107.426","0.001","7117.4","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H66.5 Cl N4 S4 -","- C74 H66.5 Cl N4 S4 -","- C296 H266 Cl4 N16 S16 -","4","2","","Venkataramanarao G. Anand; Simi K. Pushpan; Sundararaman Venkatraman; Abhishek Dey; Tavarekere K. Chandrashekar; Bhavani S. Joshi; Raja Roy; Weijie Teng; Karin Ruhlandt Senge","34π Octaphyrin: First Structural Characterization of a Planar, Aromatic [1.0.1.0.1.0.1.0] Octaphyrin with Inverted Heterocyclic Rings","Journal of the American Chemical Society","2001","123","","8620","8621","10.1021/ja011265w","","","0.71073","MoKα","","0.0924","0.0662","","","0.1795","0.1942","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115678","22.6333","0.0011","13.1125","0.0007","24.0252","0.0012","90","","112.635","0.001","90","","6581","0.6","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H66 Ir2 N2 P4 S2 -","- C76 H66 Ir2 N2 P4 S2 -","- C304 H264 Ir8 N8 P16 S8 -","4","0.5","","Rachel C. Linck; Robert J. Pafford; Thomas B. Rauchfuss","Heterolytic and Homolytic Activation of Dihydrogen at an Unusual Iridium (II) Sulfide","Journal of the American Chemical Society","2001","123","","8856","8857","10.1021/ja010603q","","","0.71073","MoKα","","0.0668","0.0376","","","0.0791","0.0869","","","","","","0.977","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115679","23.3048","0.0013","13.1143","0.0007","24.1374","0.0013","90","","114.435","0.001","90","","6716.3","0.6","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H74 Ir2 O2 P4 S2 -","- C78 H74 Ir2 O2 P4 S2 -","- C312 H296 Ir8 O8 P16 S8 -","4","0.5","","Rachel C. Linck; Robert J. Pafford; Thomas B. Rauchfuss","Heterolytic and Homolytic Activation of Dihydrogen at an Unusual Iridium (II) Sulfide","Journal of the American Chemical Society","2001","123","","8856","8857","10.1021/ja010603q","","","0.71073","MoKα","","0.057","0.0312","","","0.0608","0.0659","","","","","","0.822","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00",""
"4115680","15.04","0.007","8.051","0.004","18.332","0.008","90","","100.738","0.007","90","","2180.9","1.8","293","2","293","2","","","","","","","original synthesis","4","P 1 21/n 1","-P 2yn","14","","","","- Ag4 I4 O24 U4 -","- Ag4 I4 O24 U4 -","- Ag16 I16 O96 U16 -","4","1","","Amanda C. Bean; Charles F. Campana; Ohyun Kwon; Thomas E. Albrecht-Schmitt","A New Oxoanion: [IO4]3- Containing I(V) with a Stereochemically Active Lone-Pair in the Silver Uranyl Iodate Tetraoxoiodate(V), Ag4(UO2)4(IO3)2(IO4)2O2","Journal of the American Chemical Society","2001","123","","8806","8810","10.1021/ja011204y","","","0.71073","MoKα","","0.0721","0.0514","","0.1077","0.0999","","","","1.042","1.126","1.126","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115681","18.51","0.003","13.4478","0.0018","7.6928","0.001","90","","101.552","0.003","90","","1876.1","0.5","290","2","290","2","","","","","","","","6","I 1 m 1","I -2y","8","ITQ4","","","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","1","0.25","","Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris","The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media","Journal of the American Chemical Society","2001","123","","8797","8805","10.1021/ja016113f","","","0.6994","","","0.0577","0.0525","","","0.1316","0.135","","","","","","1.05","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115682","18.571","0.0008","13.4943","0.0006","7.7153","0.0003","90","","102.302","0.001","90","","1889.08","0.14","30","2","30","2","","","","","","","","6","I 1 m 1","I -2y","8","","","","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","1","0.25","","Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris","The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media","Journal of the American Chemical Society","2001","123","","8797","8805","10.1021/ja016113f","","","0.6448","","","0.0505","0.0479","","","0.1294","0.1325","","","","","","1.096","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115683","7.4573","0.0002","18.0966","0.0005","14.0233","0.0004","90","","99.254","0.001","90","","1867.84","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 F2 N2 O64 Si32 -","- F2 O64 Si32 -","- F2 O64 Si32 -","1","0.25","","Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris","The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media","Journal of the American Chemical Society","2001","123","","8797","8805","10.1021/ja016113f","","","0.6892","","","0.1101","0.0943","","0.2713","0.2633","","","","1.102","1.19","1.19","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115684","15.406","0.007","7.264","0.005","26.48","0.01","90","","95.23","0.05","90","","2951","3","157.2","","157.2","","","","","","","","synthetic","4","P 1 21/a 1","-P 2yab","14","","","","- C33 H33 N3 O9 -","- C33 H33 N3 O9 -","- C132 H132 N12 O36 -","4","1","","Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond","Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1","Journal of the American Chemical Society","2001","123","","8923","8938","10.1021/ja0104507","","","0.7107","MoKα","","0.1964","0.0593","","0.098","","0.0605","","","","","","1.415","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115685","22.6143","0.0005","22.6143","0.0004","106.038","0.002","90","","90","","120","","46963.3","1.6","170.2","","170.2","","","","","","","","synthetic","5","R -3 c :H","-R 3 2""c","167","","","","- C156 H188 N20 O36 Ti4 -","- C173 H57 N18 O36 Ti4 -","- C2076 H684 N216 O432 Ti48 -","12","0.333333","","Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond","Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1","Journal of the American Chemical Society","2001","123","","8923","8938","10.1021/ja0104507","","","0.7107","MoKalpha","","0.191","0.1087","","","0.1204","","","","","4.21","4.21","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115686","43.707","0.008","43.707","0.008","43.707","0.008","90","","90","","90","","83494","3","143","2","143","2","","","","","","","synthetic","6","I -4 3 d","I -4bd 2c 3","220","","","","- C203 H312 Fe4 K5 N19 O47 -","- C187.42 H144 Fe4 K4.98 N18.97 O46.995 -","- C2998.72 H2304 Fe64 K79.68 N303.52 O751.92 -","16","0.333333","","Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond","Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1","Journal of the American Chemical Society","2001","123","","8923","8938","10.1021/ja0104507","","","0.7107","MoKalpha","","0.1504","0.0978","","0.3288","0.2552","","","","1.104","1.115","1.115","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115687","9.319","0.001","12.406","0.002","20.453","0.002","90","","95.08","0.01","90","","2355.3","0.5","183","2","183","2","","","","","","","selfmade","5","P 1 21/n 1","-P 2yn","14","bis(disyl)chlorophosphine","","","- C14 H38 Cl P Si4 -","- C14 H38 Cl P Si4 -","- C56 H152 Cl4 P4 Si16 -","4","1","","Sarah L. Hinchley; Carole A. Morrison; David W. H. Rankin; Charles L. B. Macdonald; Robert J. Wiacek; Andreas Voigt; Alan H. Cowley; Michael F. Lappert; Grete Gundersen; Jason A. C. Clyburne; Philip P. Power","Spontaneous Generation of Stable Pnictinyl Radicals from ""Jack-in-the-Box"" Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1","Journal of the American Chemical Society","2001","123","","9045","9053","10.1021/ja010615b","","","0.71073","MoKα","","0.0662","0.0395","","0.0931","0.0806","","","","1.018","1.052","1.052","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115688","11.5626","0.0011","12.3944","0.001","17.542","0.002","90","","108.276","0.009","90","","2387.2","0.4","173","2","173","2","","","","","","","selfmade","5","P 1 21/n 1","-P 2yn","14","bis(disyl)chloroarsine","","","- C14 H38 As Cl Si4 -","- C14 H38 As Cl Si4 -","- C56 H152 As4 Cl4 Si16 -","4","1","","Sarah L. Hinchley; Carole A. Morrison; David W. H. Rankin; Charles L. B. Macdonald; Robert J. Wiacek; Andreas Voigt; Alan H. Cowley; Michael F. Lappert; Grete Gundersen; Jason A. C. Clyburne; Philip P. Power","Spontaneous Generation of Stable Pnictinyl Radicals from ""Jack-in-the-Box"" Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1","Journal of the American Chemical Society","2001","123","","9045","9053","10.1021/ja010615b","","","0.71073","MoKα","","0.0897","0.0582","","0.1567","0.1377","","","","1.043","1.094","1.094","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115689","18.341","0.002","13.424","0.001","19.033","0.002","90","","110.65","0.01","90","","4385","0.8","173","2","173","2","","","","","","","selfmade","4","P 1 21/c 1","-P 2ybc","14","tetra(disyl)diphosphine","","","- C28 H76 P2 Si8 -","- C28 H76 P2 Si8 -","- C112 H304 P8 Si32 -","4","1","","Sarah L. Hinchley; Carole A. Morrison; David W. H. Rankin; Charles L. B. Macdonald; Robert J. Wiacek; Andreas Voigt; Alan H. Cowley; Michael F. Lappert; Grete Gundersen; Jason A. C. Clyburne; Philip P. Power","Spontaneous Generation of Stable Pnictinyl Radicals from ""Jack-in-the-Box"" Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1","Journal of the American Chemical Society","2001","123","","9045","9053","10.1021/ja010615b","","","0.71073","MoKα","","0.0435","0.036","","0.1025","0.0958","","","","1.089","1.109","1.109","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115690","20.348","0.004","26.342","0.005","37.012","0.007","102.11","0.03","104.54","0.03","102.35","0.03","18016","8","153","2","153","2","","","","","","","selfmade","4","P -1","-P 1","2","tetra(disyl)diarsine","","","- C28 H76 As2 Si8 -","- C28 H76 As2 Si8 -","- C448 H1216 As32 Si128 -","16","8","","Sarah L. Hinchley; Carole A. Morrison; David W. H. Rankin; Charles L. B. Macdonald; Robert J. Wiacek; Andreas Voigt; Alan H. Cowley; Michael F. Lappert; Grete Gundersen; Jason A. C. Clyburne; Philip P. Power","Spontaneous Generation of Stable Pnictinyl Radicals from ""Jack-in-the-Box"" Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1","Journal of the American Chemical Society","2001","123","","9045","9053","10.1021/ja010615b","","","0.71073","MoKα","","0.0913","0.0531","","0.1344","0.1213","","","","1.511","1.713","1.713","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115691","10.5106","0.001","14.3786","0.0013","16.7764","0.0016","89.965","0.002","89.905","0.002","85.253","0.002","2526.7","0.4","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 B6 Cl2 Re2 -","- C20 H34 B6 Cl2 Re2 -","- C80 H136 B24 Cl8 Re8 -","4","2","","Sundargopal Ghosh; Alicia M. Beatty; Thomas P. Fehlner","Synthesis and Characterization of Bicapped Hexagonal Bipyramidal 2,3-Cl2-1,8-{Cp*Re}2B6H4[{Cp*Re}2{μ-η6:η6-1,2-B6H4Cl2}, Cp* = η5-C5Me5]: The Missing Link Connecting (p - 2) Skeletal Electron Pair Hypoelectronic Rhenaboranes and 24-Valence Electron Triple-Decker Complexes","Journal of the American Chemical Society","2001","123","","9188","9189","10.1021/ja0111840","","","0.71073","MoKα","","0.0421","0.0365","","","0.0794","0.0872","","","","","","1.076","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115692","17.2502","0.0008","17.8934","0.0006","9.8489","0.0002","90","","90","","90","","3040.01","0.18","173.2","","173.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 F P Si2 -","- C36 H32 F P Si2 -","- C144 H128 F4 P4 Si8 -","4","1","","Akio Toshimitsu; Tomoyuki Saeki; Kohei Tamao","Phosphonium Sila-ylide: Reaction Pathway Different from Ammonium Sila-ylide but Similar to Phosphonium Ylide","Journal of the American Chemical Society","2001","123","","9210","9211","10.1021/ja0160602","","","0.7107","MoKα","","0.0362","0.0362","","","0.0488","0.0488","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115693","12.474","0.0007","13.1328","0.0006","11.3443","0.0005","107.217","0.003","115.824","0.003","63.616","0.002","1486.44","0.13","173.2","","173.2","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H27 F2 P Si -","- C37 H27 F2 P Si -","- C74 H54 F4 P2 Si2 -","2","1","","Akio Toshimitsu; Tomoyuki Saeki; Kohei Tamao","Phosphonium Sila-ylide: Reaction Pathway Different from Ammonium Sila-ylide but Similar to Phosphonium Ylide","Journal of the American Chemical Society","2001","123","","9210","9211","10.1021/ja0160602","","","0.7107","MoKα","","0.0429","0.0429","","","0.0653","0.0653","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115694","16.667","0.001","9.2935","0.0006","17.903","0.001","90","","94.538","0.003","90","","2764.4","0.3","173.2","","173.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 P Si -","- C37 H29 P Si -","- C148 H116 P4 Si4 -","4","1","","Akio Toshimitsu; Tomoyuki Saeki; Kohei Tamao","Phosphonium Sila-ylide: Reaction Pathway Different from Ammonium Sila-ylide but Similar to Phosphonium Ylide","Journal of the American Chemical Society","2001","123","","9210","9211","10.1021/ja0160602","","","0.7107","MoKα","","0.0654","0.0654","","","0.0848","0.0848","","","","","","1.213","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115695","13.085","0.001","13.9206","0.0011","22.1213","0.0018","75.075","0.001","73.717","0.001","68.526","0.001","3544.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C71.5 H107.5 Fe2 N6 -","- C71.5 H107.5 Fe2 N6 -","- C143 H215 Fe4 N12 -","2","1","","Jeremy M. Smith; Rene J. Lachicotte; Karl A. Pittard; Thomas R. Cundari; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Patrick L. Holland","Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex","Journal of the American Chemical Society","2001","123","","9222","9223","10.1021/ja016094+","","","0.71073","MoKα","","0.1157","0.0811","","","0.1799","0.1953","","","","","","1.142","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115696","12.7419","0.0011","12.8655","0.0011","24.353","0.002","89.487","0.002","89.11","0.002","65.817","0.001","3641.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72.5 H111.5 Fe2 K2 N6 -","- C72.5 H111.5 Fe2 K2 N6 -","- C145 H223 Fe4 K4 N12 -","2","1","","Jeremy M. Smith; Rene J. Lachicotte; Karl A. Pittard; Thomas R. Cundari; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Patrick L. Holland","Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex","Journal of the American Chemical Society","2001","123","","9222","9223","10.1021/ja016094+","","","0.71073","MoKα","","0.1602","0.0778","","","0.1325","0.1525","","","","","","0.971","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115697","12.7641","0.0006","12.8595","0.0006","24.2624","0.0012","88.468","0.001","89.189","0.001","63.659","0.001","3567.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72.5 H111.5 Fe2 N6 Na2 -","- C72.5 H111.5 Fe2 N6 Na2 -","- C145 H223 Fe4 N12 Na4 -","2","1","","Jeremy M. Smith; Rene J. Lachicotte; Karl A. Pittard; Thomas R. Cundari; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Patrick L. Holland","Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex","Journal of the American Chemical Society","2001","123","","9222","9223","10.1021/ja016094+","","","0.71073","MoKα","","0.0674","0.0463","","","0.1092","0.1184","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115698","13.628","0.0003","11.858","0.0003","15.066","0.0004","90","","114.705","0.0015","90","","2211.84","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 B F4 O P Rh -","- C20 H35 B F4 O P Rh -","- C80 H140 B4 F16 O4 P4 Rh4 -","4","1","","Boris Rybtchinski; Stephan Oevers; Michael Montag; Arkadi Vigalok; Haim Rozenberg; Jan M. L. Martin; David Milstein","Comparison of Steric and Electronic Requirements for C-C and C-H Bond Activation. Chelating vs Nonchelating Case","Journal of the American Chemical Society","2001","123","","9064","9077","10.1021/ja016126t","","","0.7107","MoKα","","0.0302","0.0252","","","0.0578","0.0612","","","","","","1.046","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115699","12.075","0.0008","23.072","0.0014","23.819","0.0015","71.055","0.001","86.89","0.001","80.394","0.001","6188.4","0.7","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C134 H128 I2 N9 O10 -","- C134 H128 I2 N9 O10 -","- C268 H256 I4 N18 O20 -","2","1","","Mark J. MacLachlan; Aimee Rose; Timothy M. Swager","A Rotaxane Exciplex","Journal of the American Chemical Society","2001","123","","9180","9181","10.1021/ja016228j","","","0.71073","MoKα","","0.1344","0.1128","","","0.3422","0.3701","","","","","","1.553","","","","has coordinates,has disorder","200027","2020-10-21","18:00:00",""
"4115700","15.874","0.004","23.28","0.005","25.807","0.006","90","","104.793","0.004","90","","9221","4","153.2","","153.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H112 Cl4 N7 O2.75 P -","- C100 H95 Cl4 N7 O2.75 P -","- C400 H380 Cl16 N28 O11 P4 -","4","1","","Bobby Ramdhanie; Charlotte L. Stern; David P. Goldberg","Synthesis of the First Corrolazine: A New Member of the Porphyrinoid Family","Journal of the American Chemical Society","2001","123","","9447","9448","10.1021/ja011229x","","","0.7107","MoKα","","0.3224","0.125","","0.206","","0.176","","","1.443","","","3.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115701","5.6577","0.0007","9.9499","0.0012","13.5249","0.0017","89.942","0.002","87.724","0.002","74.343","0.002","732.5","0.16","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C28 H42 N2 O8 S2 -","2","1","","Ronald A. Aungst; Raymond L. Funk","Synthesis of (Z)-2-Acyl-2-enals via Retrocycloadditions of 5-Acyl-4-alkyl-4H-1,3-dioxins: Application in the Total Synthesis of the Cytotoxin (\±)-Euplotin A","Journal of the American Chemical Society","2001","123","","9455","9456","10.1021/ja011470b","","","0.71073","MoKα","","0.0836","0.0544","","","0.1265","0.1379","","","","","","0.956","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115702","28.222","0.003","18.904","0.002","14.555","0.002","90","","92.713","0.01","90","","7756.5","1.6","173","1","173","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Compound 2","","","- C44 H54 Si2 -","- C44 H54 Si2 -","- C352 H432 Si16 -","8","1","","John E. Anthony; James S. Brooks; David L. Eaton; Sean R. Parkin","Functionalized Pentacene: Improved Electronic Properties from Control of Solid-State Order","Journal of the American Chemical Society","2001","123","","9482","9483","10.1021/ja0162459","","","0.71073","MoKα","","0.108","0.0568","","","0.1168","0.134","","","","","","1.034","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115703","7.565","0.0015","7.75","0.0015","16.835","0.003","89.15","0.03","78.42","0.03","83.63","0.03","960.9","0.3","173","1","173","1","","","","","","","","3","P -1","-P 1","2","Compound 1","","","- C44 H54 Si2 -","- C44 H54 Si2 -","- C44 H54 Si2 -","1","0.5","","John E. Anthony; James S. Brooks; David L. Eaton; Sean R. Parkin","Functionalized Pentacene: Improved Electronic Properties from Control of Solid-State Order","Journal of the American Chemical Society","2001","123","","9482","9483","10.1021/ja0162459","","","0.71073","MoKα","","0.0713","0.0486","","","0.1039","0.112","","","","","","1.038","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115704","8.9297","0.0002","9.9577","0.0002","11.4947","0.0003","66.744","0.001","78.52","0.002","79.24","0.002","913.61","0.04","140.2","","140.2","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 I N2 O2 -","- C21 H21 I N2 O2 -","- C42 H42 I2 N4 O4 -","2","1","","Michael J. Eichberg; Rosa L. Dorta; Douglas B. Grotjahn; Kai Lamottke; Martin Schmidt; K. Peter C. Vollhardt","Approaches to the Synthesis of (\±)-Strychnine via the Cobalt-Mediated [2 + 2 + 2] Cycloaddition: Rapid Assembly of a Classic Framework","Journal of the American Chemical Society","2001","123","","9324","9337","10.1021/ja016333t","","","0.7107","MoKα","","0.0604","0.0472","","0.0535","0.0514","0.0514","","","","","","2.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115705","11.581","0.005","11.688","0.005","13.572","0.005","106.249","0.005","107.005","0.005","94.076","0.005","1663","1.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H29 Au3 N8 -","- C36 H29 Au3 N8 -","- C72 H58 Au6 N16 -","2","1","","Manal A. Rawashdeh-Omary; Mohammad A. Omary; John P. Fackler; Rossana Galassi; Bianca R. Pietroni; Alfredo Burini","Chemistry and Optoelectronic Properties of Stacked Supramolecular Entities of Trinuclear Gold(I) Complexes Sandwiching Small Organic Acids","Journal of the American Chemical Society","2001","123","","9689","9691","10.1021/ja016279g","","","0.71073","MoKα","","0.0579","0.0495","","","0.1185","0.1248","","","","","","1.174","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115706","7.3364","0.0012","35.272","0.006","14.356","0.002","90","","99.804","0.003","90","","3660.6","1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Au3 F6 N3 O3 -","- C36 H36 Au3 F6 N3 O3 -","- C144 H144 Au12 F24 N12 O12 -","4","1","","Manal A. Rawashdeh-Omary; Mohammad A. Omary; John P. Fackler; Rossana Galassi; Bianca R. Pietroni; Alfredo Burini","Chemistry and Optoelectronic Properties of Stacked Supramolecular Entities of Trinuclear Gold(I) Complexes Sandwiching Small Organic Acids","Journal of the American Chemical Society","2001","123","","9689","9691","10.1021/ja016279g","","","0.71073","MoKα","","0.0404","0.0352","","","0.1167","0.1202","","","","","","1.085","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115707","8.72","0.0002","16.612","0.0003","13.944","0.0001","90","","102.536","0.001","90","","1971.73","0.06","169.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 Cl P2 W -","- C16 H30 Cl P2 W -","- C64 H120 Cl4 P8 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","High Oxidation-State (Formally d0) Tungsten Silylene Complexes via Double Si-H Bond Activation","Journal of the American Chemical Society","2001","123","","9702","9703","10.1021/ja0165436","","","0.7107","MoKα","","","0.0326","","","","0.0371","","","","","","1.411","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115708","15.2193","0.0002","15.9706","0.0002","17.2664","0.0003","90","","96.322","0.001","90","","4171.27","0.11","153.2","","153.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 B F20 P2 W -","- C41 H29 B F20 P2 W -","- C164 H116 B4 F80 P8 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","High Oxidation-State (Formally d0) Tungsten Silylene Complexes via Double Si-H Bond Activation","Journal of the American Chemical Society","2001","123","","9702","9703","10.1021/ja0165436","","","0.7107","MoKα","","0.0668","0.0415","","0.05","0.0449","","","","","","","1.393","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115709","27.488","0.0001","15.5223","0.0002","21.3367","0.0003","90","","90","","90","","9103.88","0.18","273.2","","155","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C42 H39 B F20 P2 Si W -","- C43 H37 B F20 P2 Si W -","- C344 H296 B8 F160 P16 Si8 W8 -","8","2","","Benjamin V. Mork; T. Don Tilley","High Oxidation-State (Formally d0) Tungsten Silylene Complexes via Double Si-H Bond Activation","Journal of the American Chemical Society","2001","123","","9702","9703","10.1021/ja0165436","","","0.7107","MoKα","","0.0363","0.03","","0.0377","0.0366","","","","","","","1.468","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115710","12.0515","0.0006","22.1214","0.0013","20.1491","0.0009","90","","94.062","0.003","90","","5358.2","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H73 Cl2 N9 O3 -","- C57 H73 Cl2 N9 O3 -","- C228 H292 Cl8 N36 O12 -","4","1","","Christophe Bucher; Rebecca S. Zimmerman; Vincent Lynch; Jonathan L. Sessler","First Cryptand-Like Calixpyrrole: Synthesis, X-ray Structure, and Anion Binding Properties of a Bicyclic[3,3,3]nonapyrrole","Journal of the American Chemical Society","2001","123","","9716","9717","10.1021/ja016629z","","","0.71073","MoKα","","0.2458","0.1187","","","0.1778","0.2061","","","","","","1.209","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115711","17.0995","0.0015","10.184","0.0009","11.995","0.0011","90","","98.686","0.002","90","","2064.9","0.3","110","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C13 H24 Fe2 O4 P2 S2 -","- C12.93 H18 Fe2 O4 P2 S2 -","- C51.72 H72 Fe8 O16 P8 S8 -","4","1","","Xuan Zhao; Irene P. Georgakaki; Matthew L. Miller; Jason C. Yarbrough; Marcetta Y. Darensbourg","H/D Exchange Reactions in Dinuclear Iron Thiolates as Activity Assay Models of Fe-H2ase","Journal of the American Chemical Society","2001","123","","9710","9711","10.1021/ja0167046","","","0.71073","MoKα","","0.0636","0.0584","","","0.1538","0.1609","","","","","","1.103","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115712","13.306","0.0008","18.0371","0.0011","20.5305","0.0013","90","","104.159","0.001","90","","4777.7","0.5","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H25 F6 Fe2 O4 P3 S2 -","- C13 H25 F6 Fe2 O4 P3 S2 -","- C104 H200 F48 Fe16 O32 P24 S16 -","8","2","","Xuan Zhao; Irene P. Georgakaki; Matthew L. Miller; Jason C. Yarbrough; Marcetta Y. Darensbourg","H/D Exchange Reactions in Dinuclear Iron Thiolates as Activity Assay Models of Fe-H2ase","Journal of the American Chemical Society","2001","123","","9710","9711","10.1021/ja0167046","","","0.71073","MoKα","","0.1111","0.0748","","","0.1609","0.1936","","","","","","1.074","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115713","18.129","0.002","15.411","0.002","15.585","0.002","103.97","0.01","112.89","0.01","98.79","0.01","3741.5","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe methyl ester/Beta-Cyclodextrin","","","- C108 H217 N2 O100 -","- C107.388 H96 N1.949 O98.867 -","- C107.388 H96 N1.949 O98.867 -","1","1","","Joanna L. Clark; John J. Stezowski","Molecular Recognition in Cyclodextrin Complexes of Amino Acid Derivatives. 1. Crystallographic Studies of β-Cyclodextrin Complexes with N-Acetyl-l-phenylalanine Methyl Ester and N-Acetyl-l-phenylalanine Amide Pseudopeptides","Journal of the American Chemical Society","2001","123","","9880","9888","10.1021/ja003717v","","","0.71073","MoKα","","0.0916","0.0791","","","0.2145","0.237","","","","","","1.041","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115714","18.12","0.06","15.4","0.06","15.53","0.06","103.32","0.06","112.86","0.06","99.22","0.06","3732","2","293","2","293","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-F-amide/Beta-cyclodextrin","","","- C108 H216 N2 O176 -","- C106.001 H91 N4 O97.37 -","- C106.001 H91 N4 O97.37 -","1","1","","Joanna L. Clark; John J. Stezowski","Molecular Recognition in Cyclodextrin Complexes of Amino Acid Derivatives. 1. Crystallographic Studies of β-Cyclodextrin Complexes with N-Acetyl-l-phenylalanine Methyl Ester and N-Acetyl-l-phenylalanine Amide Pseudopeptides","Journal of the American Chemical Society","2001","123","","9880","9888","10.1021/ja003717v","","","0.71073","MoKα","","0.0859","0.0837","","","0.2125","0.2162","","","","","","1.057","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115715","18.31","0.06","15.51","0.06","15.31","0.06","102.78","0.06","112.66","0.06","99.47","0.06","3759","2","293","2","293","2","","","","","","","","4","P 1","P 1","1","N-acetyl-p-methoxy-L-phe methyl ester/Beta-CD","","","- C110 H218 N2 O100 -","- C110 H98 N2 O100.55 -","- C110 H98 N2 O100.55 -","1","1","","Joanna L. Clark; Billy R. Booth; John J. Stezowski","Molecular Recognition in Cyclodextrin Complexes of Amino Acid Derivatives. 2.1 A New Perturbation: The Room-Temperature Crystallographic Structure Determination for the N-Acetyl-p-methoxy-l-phenylalanine Methyl Ester/β-Cyclodextrin Complex","Journal of the American Chemical Society","2001","123","","9889","9895","10.1021/ja0100221","","","0.71073","MoKα","","0.1053","0.0827","","","0.2119","0.2253","","","","","","1.018","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115716","14.253","0.008","15.252","0.002","15.873","0.004","90","","90.86","0.03","90","","3450","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 F7 Fe P3 -","- C36 H39 F7 Fe P3 -","- C144 H156 F28 Fe4 P12 -","4","1","","Mats Tilset; Irene Fjeldahl; Jean-René Hamon; Paul Hamon; Loïc Toupet; Jean-Yves Saillard; Karine Costuas; Anthony Haynes","Theoretical, Thermodynamic, Spectroscopic, and Structural Studies of the Consequences of One-Electron Oxidation on the Fe-X Bonds in 17- and 18-Electron Cp*Fe(dppe)X Complexes (X = F, Cl, Br, I, H, CH3)","Journal of the American Chemical Society","2001","123","","9984","10000","10.1021/ja0106927","","","0.71069","MoKα","","0.1329","0.0476","","","0.1284","0.154","","","","","","1.03","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115717","12.763","0.003","13.877","0.007","19.551","0.007","90","","90","","90","","3463","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H39 Cl F6 Fe P3 -","- C36 H39 Cl F6 Fe P3 -","- C144 H156 Cl4 F24 Fe4 P12 -","4","1","","Mats Tilset; Irene Fjeldahl; Jean-René Hamon; Paul Hamon; Loïc Toupet; Jean-Yves Saillard; Karine Costuas; Anthony Haynes","Theoretical, Thermodynamic, Spectroscopic, and Structural Studies of the Consequences of One-Electron Oxidation on the Fe-X Bonds in 17- and 18-Electron Cp*Fe(dppe)X Complexes (X = F, Cl, Br, I, H, CH3)","Journal of the American Chemical Society","2001","123","","9984","10000","10.1021/ja0106927","","","0.71069","MoKα","","0.1024","0.053","","","0.1453","0.177","","","","","","1.006","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115718","31.49","0.004","9.834","0.004","22.322","0.005","90","","92.42","0.02","90","","6906","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 B F4 Fe P2 -","- C74 H84 B2 F7 Fe2 P4 -","- C296 H336 B8 F28 Fe8 P16 -","4","1","","Mats Tilset; Irene Fjeldahl; Jean-René Hamon; Paul Hamon; Loïc Toupet; Jean-Yves Saillard; Karine Costuas; Anthony Haynes","Theoretical, Thermodynamic, Spectroscopic, and Structural Studies of the Consequences of One-Electron Oxidation on the Fe-X Bonds in 17- and 18-Electron Cp*Fe(dppe)X Complexes (X = F, Cl, Br, I, H, CH3)","Journal of the American Chemical Society","2001","123","","9984","10000","10.1021/ja0106927","","","0.71069","MoKα","","0.1651","0.0757","","","0.2241","0.2836","","","","","","1.066","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115719","29.666","0.004","9.742","0.0012","11.614","0.002","90","","99.25","0.02","90","","3312.9","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H49 N3 Ni O S2 -","- C31 H49 N3 Ni O S2 -","- C124 H196 N12 Ni4 O4 S8 -","4","0.5","","Diran Herebian; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Experimental Evidence for the Noninnocence of o-Aminothiophenolates: Coordination Chemistry of o-Iminothionebenzosemiquinonate(1-) π-Radicals with Ni(II), Pd(II), Pt(II)","Journal of the American Chemical Society","2001","123","","10012","10023","10.1021/ja011155p","","","0.71073","MoKα","","0.0962","0.0562","","0.1408","0.1243","","","","0.999","1.085","1.085","","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115720","32.301","0.002","14.9776","0.0012","17.4278","0.0012","90","","105.9","0.02","90","","8108.8","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H63 N3 O2 Pd S2 -","- C36 H63 N3 O2 Pd S2 -","- C288 H504 N24 O16 Pd8 S16 -","8","1","","Diran Herebian; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Experimental Evidence for the Noninnocence of o-Aminothiophenolates: Coordination Chemistry of o-Iminothionebenzosemiquinonate(1-) π-Radicals with Ni(II), Pd(II), Pt(II)","Journal of the American Chemical Society","2001","123","","10012","10023","10.1021/ja011155p","","","0.71073","MoKα","","0.052","0.0347","","0.0901","0.0844","","","","1.04","1.11","1.11","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115721","23.793","0.002","9.8009","0.0008","28.039","0.003","90","","90","","90","","6538.5","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H44 Cl2 N2 Pt S2 -","- C29 H44 Cl2 N2 Pt S2 -","- C232 H352 Cl16 N16 Pt8 S16 -","8","1","","Diran Herebian; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Experimental Evidence for the Noninnocence of o-Aminothiophenolates: Coordination Chemistry of o-Iminothionebenzosemiquinonate(1-) π-Radicals with Ni(II), Pd(II), Pt(II)","Journal of the American Chemical Society","2001","123","","10012","10023","10.1021/ja011155p","","","0.71073","MoKα","","0.0753","0.0422","","0.0942","0.0819","","","","1.155","1.266","1.266","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115722","22.331","0.003","7.9655","0.001","13.2329","0.0016","90","","107.877","0.002","90","","2240.2","0.5","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 Ca Na O21 P2 -","- C12 H17 Ca Na O21 P2 -","- C48 H68 Ca4 Na4 O84 P8 -","4","0.5","","Konstantinos D. Demadis; John D. Sallis; Raphael G. Raptis; Peter Baran","A Crystallographically Characterized Nine-Coordinate Calcium-Phosphocitrate Complex as Calcification Inhibitor in Vivo","Journal of the American Chemical Society","2001","123","","10129","10130","10.1021/ja016384q","","","0.71073","MoKα","","0.0303","0.0277","","","0.0753","0.077","","","","","","1.072","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4115723","10.77","0.001","13.788","0.001","21.289","0.004","99.693","0.005","94.388","0.005","112.405","0.005","2846.4","0.6","198.2","","198.2","","","","","","","","","7","P -1","-P 1","2","","","","- C52.67 H41.67 Cl2 F6 P3 Pd S6 -","- C52.667 H41.667 Cl2.001 F6 P3 Pd S6 -","- C105.334 H83.334 Cl4.002 F12 P6 Pd2 S12 -","2","1","","Olivier Clot; Michael O. Wolf; Brian O. Patrick","Electropolymerization of Pd(II) Complexes Containing Phosphinoterthiophene Ligands","Journal of the American Chemical Society","2001","123","","9963","9973","10.1021/ja016465m","","","0.7107","MoKα","","0.1362","0.06","","0.1633","","0.072","","","1.22","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115724","14.16","0.002","14.665","0.003","20.321","0.003","96.372","0.003","109.63","0.003","102.714","0.003","3797.7","1.1","155","2","155","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H120 Al2 O20 P2 Si3 -","- C53 H120 Al2 O20 P2 Si3 -","- C106 H240 Al4 O40 P4 Si6 -","2","1","","Kyle L. Fujdala; T. Don Tilley","An Efficient, Single-Source Molecular Precursor to Silicoaluminophosphates","Journal of the American Chemical Society","2001","123","","10133","10134","10.1021/ja0167295","","","0.71073","MoKα","","0.2189","0.0582","","0.1192","0.089","","","","0.74","1.054","1.054","","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115725","11.1734","0.0012","11.1734","0.0012","19.129","0.003","90","","90","","90","","2388.2","0.5","153.2","","153.2","","","","","","","","","4","P 42/m","-P 4c","84","","","","- C26 H36 P Y -","- C23 H2.5 P0.5 Y0.5 -","- C92 H10 P2 Y2 -","4","0.5","","Michael R. Douglass; Charlotte L. Stern; Tobin J. Marks","Intramolecular Hydrophosphination/Cyclization of Phosphinoalkenes and Phosphinoalkynes Catalyzed by Organolanthanides: Scope, Selectivity, and Mechanism","Journal of the American Chemical Society","2001","123","","10221","10238","10.1021/ja010811i","","","0.7107","MoKα","","0.204","0.067","","0.165","","0.138","","","","","","3.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115726","10.9188","0.0001","12.8835","0.0001","17.4328","0.0001","95.652","0.001","105.264","0.001","111.094","0.001","2155.81","0.04","203","2","203","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H33 B Cl4 F4 N O3 P2 W -","- C42 H33 B Cl4 F4 N O3 P2 W -","- C84 H66 B2 Cl8 F8 N2 O6 P4 W2 -","2","1","","Eric W. Ainscough; Andrew M. Brodie; Anthony K. Burrell; Steven M. F. Kennedy","An Unusual Reduction of an Imine Bond: The Isolation of a Stable π-Iminium Intermediate","Journal of the American Chemical Society","2001","123","","10391","10392","10.1021/ja0109996","","","0.71073","MoKα","","0.0328","0.0279","","","0.0661","0.0693","","","","","","1.056","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115727","11.0236","0.0002","12.0855","0.0002","16.662","0.0003","68.995","0.001","85.736","0.001","71.926","0.001","1968.35","0.06","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H30 Cl2 N O2 P2 W -","- C39 H30 Cl2 N O2 P2 W -","- C78 H60 Cl4 N2 O4 P4 W2 -","2","1","","Eric W. Ainscough; Andrew M. Brodie; Anthony K. Burrell; Steven M. F. Kennedy","An Unusual Reduction of an Imine Bond: The Isolation of a Stable π-Iminium Intermediate","Journal of the American Chemical Society","2001","123","","10391","10392","10.1021/ja0109996","","","0.71073","MoKα","","0.0218","0.0206","","","0.0531","0.0538","","","","","","1.019","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115728","6.2271","0.0016","12.17","0.003","17.882","0.004","99.872","0.005","99.659","0.005","95.631","0.005","1304.9","0.5","158","2","158","2","","","","","","","","4","P -1","-P 1","2","Adamantyl bisnitroxide","","","- C31 H40 N2 O2 -","- C31 H40 N2 O2 -","- C62 H80 N4 O4 -","2","1","","David A. Shultz; Rosario M. Fico; Paul D. Boyle; Jeff W. Kampf","Observation of a Hysteretic Phase Transition in a Crystalline Dinitroxide Biradical That Leads to Magnetic Bistability","Journal of the American Chemical Society","2001","123","","10403","10404","10.1021/ja011341v","","","0.71073","MoKα","","0.0832","0.0433","","","0.0982","0.1099","","","","","","0.896","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115729","6.1933","0.0004","11.495","0.001","17.478","0.002","104.577","0.008","99.635","0.008","94.942","0.008","1176.5","0.2","148","","148","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H36 N2 O2 -","- C28 H36 N2 O2 -","- C56 H72 N4 O4 -","2","1","","David A. Shultz; Rosario M. Fico; Paul D. Boyle; Jeff W. Kampf","Observation of a Hysteretic Phase Transition in a Crystalline Dinitroxide Biradical That Leads to Magnetic Bistability","Journal of the American Chemical Society","2001","123","","10403","10404","10.1021/ja011341v","","","0.71073","MolybdenumKα","","0.052","0.051","","0.054","0.053","","","","","1.45","1.45","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115730","28.519","0.008","14.996","0.003","10.628","0.003","90","","96.35","0.03","90","","4517","2","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H31 N2 O3.5 -","- C25 H31 N2 O3.5 -","- C200 H248 N16 O28 -","8","1","","Shunichi Fukuzumi; Yoshinori Fujii; Tomoyoshi Suenobu","Metal Ion-Catalyzed Cycloaddition vs Hydride Transfer Reactions of NADH Analogues with p-Benzoquinones","Journal of the American Chemical Society","2001","123","","10191","10199","10.1021/ja016370k","","","0.7107","MoKα","","","0.0654","","","","0.0704","","","","","","2.86","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115731","7.771","0.0004","23.8998","0.0013","32.6762","0.0017","90","","90","","90","","6068.8","0.6","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H44 Gd O12 P4 -","- C38.4 H32 Gd0.8 O21.152 P3.2 -","- C192 H160 Gd4 O105.76 P16 -","5","1.25","","Owen R. Evans; Helen L. Ngo; Wenbin Lin","Chiral Porous Solids Based on Lamellar Lanthanide Phosphonates","Journal of the American Chemical Society","2001","123","","10395","10396","10.1021/ja0163772","","","0.71073","MoKα","","0.1887","0.0974","","","0.1884","0.2239","","","","","","1.094","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115732","9.134","0.003","14.592","0.005","15.832","0.006","90","","90","","90","","2110.1","1.3","298","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-cyanopropyl-4,5,7,8,9,10,11,12-octamethyl-1,2- dicarba-closo-dodecaborane(12)","","- C14 H33 B10 N -","- C14 H33 B10 N -","- C56 H132 B40 N4 -","4","1","","A. Maderna; A. Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","The Syntheses of Amphiphilic Camouflaged Carboranes as Modules for Supramolecular Construction","Journal of the American Chemical Society","2001","123","","10423","10424","10.1021/ja016768g","","","1.5418","CuKα","","0.0802","0.0694","","","0.1919","0.2061","","","","","","1.03","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115733","9.116","0.004","14.555","0.007","15.82","0.007","90","","90","","90","","2099.1","1.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","carboranyl chloride","4,5,7,8,9,10,11,12-octamethyl-1-(3-chloropropyl), 2-dicarba-closo-dodeca-borane(12)","","- C13 H33 B10 Cl -","- C13 H33 B10 Cl -","- C52 H132 B40 Cl4 -","4","1","","A. Maderna; A. Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","The Syntheses of Amphiphilic Camouflaged Carboranes as Modules for Supramolecular Construction","Journal of the American Chemical Society","2001","123","","10423","10424","10.1021/ja016768g","","","0.71073","MoKα","","0.1759","0.0746","","","0.1767","0.2113","","","","","","0.917","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115734","13.868","0.003","14.966","0.002","15.018","0.002","90","","92.527","0.011","90","","3113.9","0.9","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 2","","","- C35 H42 N4 O3 Pd -","- C35 H42 N4 O3 Pd -","- C140 H168 N16 O12 Pd4 -","4","1","","Pamela A. Lord; Bruce C. Noll; Marilyn M. Olmstead; Alan L. Balch","A Remarkable Skeletal Rearrangement of a Coordinated Tetrapyrrole: Chemical Consequences of Palladium π-Coordination to a Bilindione","Journal of the American Chemical Society","2001","123","","10554","10559","10.1021/ja010647z","","","0.71073","MoKα","","0.0817","0.0478","","","0.0871","0.1006","","","","","","1.03","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115735","7.407","0.004","12.392","0.003","9.432","0.006","90","","102.58","0.02","90","","845","0.7","200","2","200","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C18 H27 N O2 -","- C18 H27 N O2 -","- C36 H54 N2 O4 -","2","1","","José Barluenga; Angel L. Suárez-Sobrino; Miguel Tomás; Santiago García-Granda; Rafael Santiago-García","Diastereo- and Enantioselective Cyclopropanation with Chromium Fischer Carbene Complexes: Alkenyl Oxazolines as Useful Achiral and Chiral Substrates","Journal of the American Chemical Society","2001","123","","10494","10501","10.1021/ja010719m","","","0.71073","MoKα","","0.1009","0.038","","","0.082","0.1015","","","","","","1.033","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115736","13.7997","0.0004","23.8392","0.0002","21.7517","0.0007","90","0.0015","100.117","0.002","90","0.002","7044.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H124 Cl2 N4 Si4 W2 -","- C52 H112 Cl2 N4 Si4 W2 -","- C208 H448 Cl8 N16 Si16 W8 -","4","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.71073","MoKα","","0.1726","0.097","","0.303","0.2486","","","","1.01","1.111","1.111","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115737","13.4342","0.0002","16.2068","0.0001","20.8307","0.0003","90","","90.477","0.001","90","","4535.22","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H83 N3 Si3 W -","- C36 H82 N3 Si3 W -","- C144 H328 N12 Si12 W4 -","4","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.71073","MoKα","","0.0493","0.0319","","0.0943","0.0789","","","","1.088","1.039","1.039","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115738","13.7991","0.0011","24.343","0.002","16.7419","0.0014","90","","92.598","0.002","90","","5618","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H93 Cl N5 Si3 W2 -","- C46 H93 Cl N5 Si3 W2 -","- C184 H372 Cl4 N20 Si12 W8 -","4","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.71073","MoKα","","0.1253","0.0451","","0.1079","0.0729","","","","0.993","1.059","1.059","","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115739","11.999","0.002","12.801","0.003","23.17","0.005","90","","93.97","0.03","90","","3550.4","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H29.5 Cl N1.5 Si W0.5 -","- C14.5 H29.5 Cl N1.5 Si W0.5 -","- C116 H236 Cl8 N12 Si8 W4 -","8","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.71073","MoKα","","0.0793","0.0418","","0.1203","0.0956","","","","0.984","1.02","1.02","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115740","12.081","0.002","12.08","0.002","29.08","0.006","90","","101.2","0.03","90","","4163.1","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H65 Cl N2 Si2 W -","- C38 H Cl N2 Si2 W -","- C152 H4 Cl4 N8 Si8 W4 -","4","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.943","","","0.066","0.0626","","0.189","0.1846","","","","1.151","1.176","1.176","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115741","14.393","0.002","17.903","0.003","17.057","0.002","90","","110.903","0.003","90","","4105.9","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H65 Cl N2 Si2 W -","- C38 H65 Cl N2 Si2 W -","- C152 H260 Cl4 N8 Si8 W4 -","4","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.71073","MoKα","","0.0656","0.0432","","","0.0856","0.0927","","","","","","0.988","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115742","8.303","0.0003","8.303","0.0003","20.334","0.001","90","","90","","120","","1214.01","0.09","150","2","150","2","","","","","","","'hydrothermal synthesis at 200 deg C for 30 hours'","6","P -3 c 1","-P 3 2""c","165","csdab","","","- C3 H14 Co4 N O11 S -","- C4 H16 Co5.33333 N1.33333 O14.6667 S1.33333 -","- C12 H48 Co16 N4 O44 S4 -","3","0.25","","Apinpus Rujiwatra; Cameron J. Kepert; John B. Claridge; Matthew J. Rosseinsky; Hitoshi Kumagai; Mohamedally Kurmoo","Layered Cobalt Hydroxysulfates with Both Rigid and Flexible Organic Pillars: Synthesis, Structure, Porosity, and Cooperative Magnetism","Journal of the American Chemical Society","2001","123","","10584","10594","10.1021/ja0109848","","","0.689","synchrotron","","0.0817","0.0576","","","0.1388","0.1458","","","","","","1.074","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115743","8.298","0.001","8.298","0.001","10.519","0.002","90","","90","","120","","627.27","0.16","150","2","150","2","","","","","","","'hydrothermal synthesis at 180 deg C for 3 days'","6","P -3","-P 3","147","csen","mu-ethylenediaminododecahydroxodisulfatooctacobalt(II)-6-water","","- C H16 Co4 N O13 S -","- C0.99 H9.96 Co4 N0.99 O12.97 S -","- C1.98 H19.92 Co8 N1.98 O25.94 S2 -","2","0.333333","","Apinpus Rujiwatra; Cameron J. Kepert; John B. Claridge; Matthew J. Rosseinsky; Hitoshi Kumagai; Mohamedally Kurmoo","Layered Cobalt Hydroxysulfates with Both Rigid and Flexible Organic Pillars: Synthesis, Structure, Porosity, and Cooperative Magnetism","Journal of the American Chemical Society","2001","123","","10584","10594","10.1021/ja0109848","","","0.71073","MoKα","","0.0881","0.0859","","","0.2179","0.2193","","","","","","1.321","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115744","15.5258","0.0005","15.8918","0.0007","16.4589","0.0002","87.287","0.002","67.873","0.002","61.084","0.003","3247.1","0.2","150.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C82.51 H55.11 Cl1.68 N8 -","- C82.48 H55.11 Cl1.68 N8 -","- C164.96 H110.22 Cl3.36 N16 -","2","1","","Nagao Kobayashi; Takamitsu Fukuda; Keiji Ueno; Hiroshi Ogino","Extremely Non-Planar Phthalocyanines with Saddle or Helical Conformation: Synthesis and Structural Characterizations","Journal of the American Chemical Society","2001","123","","10740","10741","10.1021/ja0113753","","","0.7107","MoKα","","","0.0941","","","","0.2189","","","","","","2.443","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115745","31.46","0.009","20.602","0.004","28.041","0.003","90","","115.608","0.001","90","","16389","6","150.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C105 H92 Co N8 O6 -","- C102.6 H64 Co N8 O5.1 -","- C820.8 H512 Co8 N64 O40.8 -","8","1","","Nagao Kobayashi; Takamitsu Fukuda; Keiji Ueno; Hiroshi Ogino","Extremely Non-Planar Phthalocyanines with Saddle or Helical Conformation: Synthesis and Structural Characterizations","Journal of the American Chemical Society","2001","123","","10740","10741","10.1021/ja0113753","","","0.7107","MoKα","","","0.086","","","","0.0971","","","","","","2.129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115746","12.3804","0.0007","12.3804","0.0007","46.505","0.002","90","","90","","90","","7128","0.6","123.2","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H26 Cl2 N12 O9 Zn -","- C30 H26 Cl2 N12 O9 Zn -","- C240 H208 Cl16 N96 O72 Zn8 -","8","1","","Masaaki Sasa; Kentaro Tanaka; Xian-He Bu; Motoo Shiro; Mitsuhiko Shionoya","Spontaneously Resolved Chiral Interpenetrating 3-D Nets with Two Different Zinc Coordination Polymers","Journal of the American Chemical Society","2001","123","","10750","10751","10.1021/ja0116324","","","0.7107","MoKα","","","0.069","","","","0.1683","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115747","23.3007","0.0005","25.0356","0.0001","11.6313","0.0002","90","","90","","90","","6785.08","0.19","223","2","223","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- C28 H32 O12 -","- C28 H16 O12 -","- C224 H128 O96 -","8","0.5","","Byung Hee Hong; Jin Yong Lee; Chi-Wan Lee; Jong Chan Kim; Sung Chul Bae; Kwang S. Kim","Self-Assembled Arrays of Organic Nanotubes with Infinitely Long One-Dimensional H-Bond Chains","Journal of the American Chemical Society","2001","123","","10748","10749","10.1021/ja016526g","","","0.71073","MoKα","","0.1104","0.0866","","","0.2891","0.3146","","","","","","1.206","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115748","9.334","0.0002","16.319","0.0008","18.148","0.0008","90","","90","","90","","2764.33","0.19","150.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 F4 K N2 O6 Si -","- C24 H33 F4 K N2 O6 Si -","- C96 H132 F16 K4 N8 O24 Si4 -","4","1","","Naokazu Kano; Fuminori Komatsu; Takayuki Kawashima","Reversible Photocontrol of the Coordination Number of Silicon in a Tetrafluorosilicate Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2001","123","","10778","10779","10.1021/ja0165739","","","0.7107","MoKα","","","0.045","","","","0.145","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115749","16.6407","0.0007","13.1648","0.0006","26.062","0.001","90","","92.144","0.002","90","","5705.4","0.4","123.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 Cl3 N O Sb -","- C29 H33 Cl3 N O Sb -","- C232 H264 Cl24 N8 O8 Sb8 -","8","2","","Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Motoo Shiro; Haruyuki Nakano","Synthesis, Structure, and Reactions of (Acylimino)triaryl-λ5-bismuthanes: First Comparative Study of the (Acylimino)pnictorane Series","Journal of the American Chemical Society","2001","123","","10954","10965","10.1021/ja003623l","","","0.7107","MoKα","","","0.0488","","","","0.1372","","","","","","0.947","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115750","9.469","0.003","19.063","0.004","10.976","0.004","90","","94.9","0.03","90","","1974","1","298.7","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl3 N O P -","- C20 H15 Cl3 N O P -","- C80 H60 Cl12 N4 O4 P4 -","4","1","","Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Motoo Shiro; Haruyuki Nakano","Synthesis, Structure, and Reactions of (Acylimino)triaryl-λ5-bismuthanes: First Comparative Study of the (Acylimino)pnictorane Series","Journal of the American Chemical Society","2001","123","","10954","10965","10.1021/ja003623l","","","0.7107","MoKα","","","0.0428","","","","0.1321","","","","","","1.11","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115751","8.776","0.002","17.577","0.004","15.875","0.004","90","","96.1","0.02","90","","2434.9","1","143.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Bi Cl3 N O4 -","- C23 H21 Bi Cl3 N O4 -","- C92 H84 Bi4 Cl12 N4 O16 -","4","1","","Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Motoo Shiro; Haruyuki Nakano","Synthesis, Structure, and Reactions of (Acylimino)triaryl-λ5-bismuthanes: First Comparative Study of the (Acylimino)pnictorane Series","Journal of the American Chemical Society","2001","123","","10954","10965","10.1021/ja003623l","","","0.7107","MoKα","","","0.0251","","","","0.0342","","","","","","1.11","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115752","9.4395","0.0004","19.098","0.001","10.8085","0.0006","90","","95.312","0.002","90","","1940.14","0.17","123.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 As Cl3 N O -","- C20 H15 As Cl3 N O -","- C80 H60 As4 Cl12 N4 O4 -","4","1","","Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Motoo Shiro; Haruyuki Nakano","Synthesis, Structure, and Reactions of (Acylimino)triaryl-λ5-bismuthanes: First Comparative Study of the (Acylimino)pnictorane Series","Journal of the American Chemical Society","2001","123","","10954","10965","10.1021/ja003623l","","","0.7107","MoKα","","","0.0255","","","","0.0541","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115753","12.442","0.0008","5.7616","0.0004","15.8823","0.0011","90","","111.81","0.001","90","","1057.04","0.12","373","","373","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0706","0.0506","","","0.1534","0.1677","","","","","","1.078","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115754","12.4056","0.0007","5.7411","0.0003","15.7977","0.0008","90","","111.851","0.001","90","","1044.3","0.1","340","","340","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0642","0.049","","","0.1469","0.1592","","","","","","1.072","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115755","12.3803","0.0006","5.7259","0.0003","15.7236","0.0008","90","","111.895","0.001","90","","1034.22","0.09","300","","300","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0585","0.047","","","0.1394","0.1488","","","","","","1.098","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115756","12.2995","0.0006","5.6766","0.0003","15.5154","0.0007","90","","111.982","0.001","90","","1004.52","0.09","150","","150","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0431","0.0397","","","0.1082","0.111","","","","","","1.088","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115757","6.8119","0.0007","7.1517","0.0008","7.6887","0.0008","67.502","0.002","74.118","0.002","79.837","0.002","331.76","0.06","300","","300","","","","","","","","","3","P -1","-P 1","2","","(E)-3,3',4,4'-tetramethylazobenzene","","- C16 H18 N2 -","- C16 H18 N2 -","- C16 H18 N2 -","1","0.5","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0601","0.0489","","","0.1408","0.1511","","","","","","1.044","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115758","6.81","0.01","7.207","0.011","7.793","0.012","67.39","0.03","73.82","0.03","79.93","0.03","338.1","0.9","373","","373","","","","","","","","","3","P -1","-P 1","2","","(E)-3,3',4,4'-tetramethylazobenzene","","- C16 H18 N2 -","- C16 H18 N2 -","- C16 H18 N2 -","1","0.5","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0759","0.056","","","0.1654","0.1837","","","","","","1.068","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115759","6.8127","0.0007","7.1529","0.0007","7.6903","0.0008","67.508","0.002","74.153","0.002","79.857","0.002","332","0.06","300","","300","","","","","","","","","3","P -1","-P 1","2","","(E)-3,3',4,4'-tetramethylazobenzene","","- C16 H18 N2 -","- C16 H18 N2 -","- C16 H18 N2 -","1","0.5","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0591","0.0484","","","0.1398","0.1494","","","","","","1.056","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115760","13.7798","0.0004","10.6379","0.0003","27.2058","0.0009","90","","104.034","0.001","90","","3869","0.2","200","2","200","2","","","","","","","chemical synthesis","3","P 1 21/c 1","-P 2ybc","14","","5,6,8-Tri(t-butyl)-2,3-bis(4-bromophenyl)-1,4-diphenylnaphthalene","","- C46 H46 Br2 -","- C46 H46 Br2 -","- C184 H184 Br8 -","4","1","","Jiajia Zhang; Douglas M. Ho; Robert A. Pascal","Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone","Journal of the American Chemical Society","2001","123","","10919","10926","10.1021/ja011453m","","","0.71073","MoKα","","0.0788","0.049","","0.1132","0.1005","","","","1.019","1.075","1.075","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115761","8.9237","0.001","8.9237","0.001","13.4474","0.0013","90","","90","","120","","927.38","0.17","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 H8 F4 I2 O2 -","- C6 H8.04 F3.96 I2 O2 -","- C18 H24.12 F11.88 I6 O6 -","3","0.166667","","Qianli Chu; Zhemin Wang; Qichen Huang; Chunhua Yan; Shizheng Zhu","Fluorine-Containing Donor-Acceptor Complex: Infinite Chain Formed by Oxygen...Iodine Interaction","Journal of the American Chemical Society","2001","123","","11069","11070","10.1021/ja015786v","","","0.71073","MoKα","","0.0819","0.0438","","","0.1006","0.1183","","","","","","1.047","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115762","20.312","0.004","8.679","0.008","12.045","0.004","90","","90","","90","","2123","2","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C10 H18 F8 I2 N3 O P -","- C10 H18 F8 I2 N3 O P -","- C40 H72 F32 I8 N12 O4 P4 -","4","1","","Qianli Chu; Zhemin Wang; Qichen Huang; Chunhua Yan; Shizheng Zhu","Fluorine-Containing Donor-Acceptor Complex: Infinite Chain Formed by Oxygen...Iodine Interaction","Journal of the American Chemical Society","2001","123","","11069","11070","10.1021/ja015786v","","","0.71069","MoKα","","0.0852","0.0556","","","0.1481","0.1721","","","","","","1.042","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115763","15.7317","0.0008","15.5288","0.0008","15.6907","0.0008","90","","90","","90","","3833.2","0.3","193","2","193","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","Cp*2ZrH2","","","- C20 H32 Zr -","- C20 H32 Zr -","- C160 H256 Zr8 -","8","2","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.0604","0.0391","","","0.0707","0.0767","","","","","","0.892","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115764","15.4715","0.0007","15.6123","0.0007","15.7459","0.0007","90","","90","","90","","3803.4","0.3","193","2","193","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Cp*2ZrHF","","","- C20 H30 F Zr -","- C20 H30 F Zr -","- C160 H240 F8 Zr8 -","8","2","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.0593","0.0491","","0.1231","0.1174","","","","1.004","1.032","1.032","","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115765","22.826","0.0019","20.6214","0.0017","16.1659","0.0014","90","","92.167","0.002","90","","7603.9","1.1","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cp*2ZrF2","","","- C20 H30 F2 Zr -","- C20 H30 F2 Zr -","- C320 H480 F32 Zr16 -","16","2","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.123","0.0906","","","0.2242","0.2347","","","","","","1.446","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115766","16.6842","0.0007","9.4119","0.0004","14.7948","0.0006","90","","90","","90","","2323.23","0.17","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","Cp*2Zr(o-C6H4F)H","","","- C26 H35 F Zr -","- C26 H35 F Zr -","- C104 H140 F4 Zr4 -","4","1","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.071","0.068","","","0.1978","0.2013","","","","","","0.932","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115767","16.5518","0.0007","17.2823","0.0007","18.9291","0.0008","82.373","0.001","67.39","0.001","67.911","0.001","4631.2","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","Cp*2Zr(C6H5)F","","","- C26 H35 F Zr -","- C26 H35 F Zr -","- C208 H280 F8 Zr8 -","8","4","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.0497","0.0371","","","0.1046","0.1156","","","","","","0.765","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115768","11.3984","0.0001","21.21","0.0004","12.5746","0.0002","90","","100.347","0.001","90","","2990.6","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H79 Cl Co N6 O15.5 -","- C57 H70 Cl Co N6 O15.5 -","- C114 H140 Cl2 Co2 N12 O31 -","2","1","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.1217","0.0975","","","0.2566","0.2826","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115769","24.378","0.012","12.601","0.004","12.28","0.007","90","","113.7","0.05","90","","3454","3","193","2","193","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C64 H84 Cl7 Co N6 O12 -","- C64 H84 Cl7 Co N6 O12 -","- C128 H168 Cl14 Co2 N12 O24 -","2","0.5","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.0887","0.0506","","","0.1094","0.1266","","","","","","0.899","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115770","13.24","0.003","13.96","0.003","19.037","0.004","71.581","0.004","77.543","0.004","75.193","0.004","3192.4","1.2","193","2","193","2","","","","","","","","6","P 1","P 1","1","","","","- C59 H75.5 Cl4 Co N6 O14.25 -","- C59 H75 Cl4 Co N6 O14.25 -","- C118 H150 Cl8 Co2 N12 O28.5 -","2","2","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.2642","0.0642","","","0.1257","0.215","","","","","","0.79","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115771","11.7375","0.0006","22.5981","0.0013","31.3184","0.0015","90","","90","","90","","8307.1","0.8","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H82 Cl13 Co N6 O14 -","- C72 H82 Cl13 Co N6 O14 -","- C288 H328 Cl52 Co4 N24 O56 -","4","1","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.18","0.0644","","","0.142","0.1774","","","","","","0.841","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115772","17.0919","0.0007","19.9345","0.0008","23.5472","0.0008","90","","90","","90","","8023","0.5","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H82 Cl13 Co N6 O16 -","- C66 H82 Cl13 Co N6 O16 -","- C264 H328 Cl52 Co4 N24 O64 -","4","1","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.1192","0.0597","","","0.1473","0.1659","","","","","","0.928","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115773","12.1118","0.0002","33.1982","0.0005","11.0644","0.0001","90","","90","","90","","4448.88","0.11","295.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H55 Cl2 N7 Ni2 O11 -","- C38 H55 Cl2 N7 Ni2 O11 -","- C152 H220 Cl8 N28 Ni8 O44 -","4","1","","Shinobu Itoh; Hideki Bandoh; Motonobu Nakagawa; Shigenori Nagatomo; Teizo Kitagawa; Kenneth D. Karlin; Shunichi Fukuzumi","Formation, Characterization, and Reactivity of Bis(μ-oxo)dinickel(III) Complexes Supported by A Series of Bis[2-(2-pyridyl)ethyl]amine Ligands","Journal of the American Chemical Society","2001","123","","11168","11178","10.1021/ja0104094","","","0.7107","MoKα","","","0.0451","","","","0.063","","","","","","0.756","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115774","10.2036","0.0008","16.656","0.001","13.363","0.001","90","","105.302","0.003","90","","2190.5","0.3","85.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cl2 N6 Ni2 O10 -","- C88 H104 Cl2 N12 Ni4 O12 -","- C176 H208 Cl4 N24 Ni8 O24 -","2","0.5","","Shinobu Itoh; Hideki Bandoh; Motonobu Nakagawa; Shigenori Nagatomo; Teizo Kitagawa; Kenneth D. Karlin; Shunichi Fukuzumi","Formation, Characterization, and Reactivity of Bis(μ-oxo)dinickel(III) Complexes Supported by A Series of Bis[2-(2-pyridyl)ethyl]amine Ligands","Journal of the American Chemical Society","2001","123","","11168","11178","10.1021/ja0104094","","","0.7107","MoKα","","","0.0411","","","","0.058","","","","","","0.712","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115775","16.049","0.002","11.0619","0.0007","15.772","0.002","90","","117.132","0.004","90","","2491.9","0.5","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Pt2(EtCS2)4I2","","","- C12 H20 I2 Pt2 S8 -","- C12 H20 I2 Pt2 S8 -","- C48 H80 I8 Pt8 S32 -","4","1","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0332","","","0.0378","","","","","1.278","1.278","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115776","17.369","0.002","8.5903","0.0006","18.44","0.003","90","","125.317","0.005","90","","2245","0.5","115","","115","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0258","","","0.0398","","","","","1.708","1.708","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115777","17.41","0.01","8.602","0.002","18.47","0.01","90","","125.31","0.03","90","","2257","2","149","","149","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I2","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0313","","","0.0467","","","","","1.77","1.77","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115778","17.4","0.01","8.61","0.002","18.49","0.01","90","","125.22","0.02","90","","2263","1.9","184","","184","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0308","","","0.0478","","","","","1.801","1.801","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115779","17.417","0.004","8.639","0.001","18.525","0.004","90","","125.14","0.01","90","","2279.4","0.8","252","","252","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0358","","","0.0534","","","","","1.961","1.961","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115780","17.438","0.005","8.644","0.001","18.569","0.006","90","","125.05","0.01","90","","2291.4","1.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0256","","","0.0343","","","","","1.386","1.386","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115781","17.476","0.003","8.6663","0.0007","18.667","0.003","90","","125.004","0.007","90","","2315.8","0.6","377","","377","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0274","","","0.035","","","","","1.316","1.316","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115782","7.1459","0.001","4.5094","0.0007","17.904","0.003","90","","92.89","0.005","90","","576.2","0.15","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O5 -","- C12 H16 O5 -","- C24 H32 O10 -","2","1","","Chaomin Li; Emily A. Pace; Mei-Chih Liang; Emil Lobkovsky; Thomas D. Gilmore; John A. Porco","Total Synthesis of the NF-κB Inhibitor (-)-Cycloepoxydon: Utilization of Tartrate-Mediated Nucleophilic Epoxidation","Journal of the American Chemical Society","2001","123","","11308","11309","10.1021/ja0169769","","","0.71073","MoKα","","0.0695","0.0519","","","0.1186","0.1268","","","","","","1.046","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115783","8.8454","0.0008","18.724","0.0016","13.662","0.0011","90","","90.216","0.004","90","","2262.7","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O5 -","- C12 H16 O5 -","- C96 H128 O40 -","8","2","","Chaomin Li; Emily A. Pace; Mei-Chih Liang; Emil Lobkovsky; Thomas D. Gilmore; John A. Porco","Total Synthesis of the NF-κB Inhibitor (-)-Cycloepoxydon: Utilization of Tartrate-Mediated Nucleophilic Epoxidation","Journal of the American Chemical Society","2001","123","","11308","11309","10.1021/ja0169769","","","0.71073","MoKα","","0.0739","0.0472","","","0.1006","0.1114","","","","","","1.044","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115784","20.33","0.0009","23.1692","0.0011","32.0081","0.0015","90","","90","","90","","15076.8","1.2","158","2","158","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C78 H117.5 N8.5 O38 Zn4 -","- C78 H36 N8.5 O38 Zn4 -","- C312 H144 N34 O152 Zn16 -","4","1","","Hee K. Chae; Mohamed Eddaoudi; Jaheon Kim; Sheila I. Hauck; John F. Hartwig; Michael O'Keeffe; Omar M. Yaghi","Tertiary Building Units: Synthesis, Structure, and Porosity of a Metal-Organic Dendrimer Framework (MODF-1)","Journal of the American Chemical Society","2001","123","","11482","11483","10.1021/ja011692+","","","0.71073","MoKα","","0.1419","0.0885","","","0.2331","0.2723","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115785","20.8599","0.0009","12.1728","0.0005","22.338","0.001","90","","102.134","0.002","90","","5545.4","0.4","173.2","","173.2","","","","","","","","","7","P 1 2 1","P 2y","3","","","","- C63 H69 B F K N2 O7 -","- C63 H66 B F K N2 O7 -","- C252 H264 B4 F4 K4 N8 O28 -","4","2","","Shigehiro Yamaguchi; Seiji Akiyama; Kohei Tamao","Colorimetric Fluoride Ion Sensing by Boron-Containing π-Electron Systems","Journal of the American Chemical Society","2001","123","","11372","11375","10.1021/ja015957w","","","0.7107","MoKα","","0.0641","0.0641","","","0.0843","0.0843","","","","","","1.235","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115786","11.2725","0.0002","13.8904","0.0004","10.0939","0.0007","98.505","0.004","106.936","0.004","91.615","0.001","1491.08","0.12","230.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H24 Cl2 Fe N5 O2 Se -","- C34 H24 Cl2 Fe N5 O2 Se -","- C68 H48 Cl4 Fe2 N10 O4 Se2 -","2","1","","Shinya Hayami; Zhong-ze Gu; Hajime Yoshiki; Akira Fujishima; Osamu Sato","Iron(III) Spin-Crossover Compounds with a Wide Apparent Thermal Hysteresis around Room Temperature","Journal of the American Chemical Society","2001","123","","11644","11650","10.1021/ja0017920","","","0.7107","MoKα","","","0.0443","","","","0.1159","","","","","","1.665","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115787","8.227","0.004","25.656","0.011","9.808","0.004","90","","95.71","0.03","90","","2059.9","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 As4 Cl12 Se6 -","- C18 H36 As4 Cl12 Se6 -","- C36 H72 As8 Cl24 Se12 -","2","0.5","","Andrew J. Barton; Nicholas J. Hill; William Levason; Gillian Reid","Synthesis and Structural Properties of the First Macrocyclic Selenoether Complex of Arsenic(III): A Rare Example of Exo and Endo Coordination in a Single Species","Journal of the American Chemical Society","2001","123","","11801","11802","10.1021/ja0110527","","","0.71073","MoKα","","0.0789","0.0347","","","0.0831","0.0969","","","","","","1.029","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115788","7.1843","0.0003","7.521","0.0003","14.4763","0.0005","90","","94.401","0.003","90","","779.89","0.05","293","2","293","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C20 H28 Cr2 Cu3 N16 O2 -","- C20 H28 Cr2 Cu3 N16 O2 -","- C20 H28 Cr2 Cu3 N16 O2 -","1","0.25","","Hui-Zhong Kou; Song Gao; Jing Zhang; Ge-Hui Wen; Gang Su; R. K. Zheng; X. X. Zhang","Unexpected Assembly of a Unique Cyano-Bridged Three-Dimensional Cu3Cr2 Ferromagnet","Journal of the American Chemical Society","2001","123","","11809","11810","10.1021/ja016656p","","","0.71073","MoKα","","0.0631","0.0465","","","0.1046","0.1133","","","","","","1.06","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115789","9.094","0.005","12.277","0.003","14.541","0.004","77.02","0.02","80.82","0.04","79.86","0.03","1545","1","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Poly{tris[tetrakis(μ-trifluoroacetato-κO,κO')dirhodium(II,II)- (μ4-η2(1,2):η2(3,4):η2(7,8):η2(9,10)-chrysene)}","","- C42 H12 F36 O24 Rh6 -","- C42 H12 F36 O24 Rh6 -","- C42 H12 F36 O24 Rh6 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0945","0.0721","","0.1851","0.1596","","","","1.081","1.082","1.082","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115790","11.287","0.007","17.509","0.004","12.606","0.003","90","","93.64","0.03","90","","2486.2","1.7","213","2","213","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(1,2):η2(4,5)-acenaphthylene)}","","- C20 H8 F12 O8 Rh2 -","- C20 H8 F12 O8 Rh2 -","- C80 H32 F48 O32 Rh8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0864","0.0671","","0.1937","0.158","","","","1.085","1.05","1.05","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115791","22.562","0.003","8.577","0.001","16.889","0.002","90","","131.34","0.02","90","","2453.8","0.9","213","2","213","2","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(4,5):η2(6,7)-acenaphthene)}","","- C20 H10 F12 O8 Rh2 -","- C20 H10 F12 O8 Rh2 -","- C80 H40 F48 O32 Rh8 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0419","0.0386","","0.0923","0.0893","","","","1.129","1.138","1.138","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115792","8.48","0.002","8.6371","0.0007","10.252","0.001","114.681","0.007","99.736","0.007","98.147","0.007","653.29","0.18","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,kO') dirhodium(II,II)](μ-η2(1,2):η2(5,6)-anthracene)}","","- C22 H10 F12 O8 Rh2 -","- C22 H10 F12 O8 Rh2 -","- C22 H10 F12 O8 Rh2 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0513","0.0458","","0.1287","0.1253","","","","1.1","1.101","1.101","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115793","8.642","0.001","9.21","0.0007","17.387","0.003","75.608","0.004","85.458","0.008","81.362","0.005","1324","0.3","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(3,4):η2(9,10)-phenanthrene)}","","- C22 H10 F12 O8 Rh2 -","- C22 H10 F12 O8 Rh2 -","- C44 H20 F24 O16 Rh4 -","2","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0547","0.0511","","0.153","0.1455","","","","1.076","1.076","1.076","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115794","9.317","0.002","14.902","0.001","9.507","0.001","90","","91.78","0.01","90","","1319.3","0.3","213","2","213","2","","","","","","","synthesized","5","C 1 2/m 1","-C 2y","12","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(4,5):η2(9,10)-pyrene)}","","- C24 H10 F12 O8 Rh2 -","- C24 H10 F12 O8 Rh2 -","- C48 H20 F24 O16 Rh4 -","2","0.25","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0298","0.0284","","0.0737","0.0719","","","","1.161","1.156","1.156","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115795","8.674","0.003","9.464","0.002","12.11","0.003","77.91","0.02","79.65","0.01","87.44","0.02","956.2","0.5","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Tetrakis(μ-trifluoroacetato-κO,κO')dirhodium(II,II)- bis(η2(2,3)-fluoranthene)","","- C40 H20 F12 O8 Rh2 -","- C40 H20 F12 O8 Rh2 -","- C40 H20 F12 O8 Rh2 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0584","0.0548","","0.159","0.1532","","","","1.057","1.055","1.055","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115796","9.2257","0.0002","9.224","0.001","31.827","0.002","90","","93.97","0.05","90","","2701.9","0.4","213","2","213","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(2,3):η2(6,12)-fluoranthene)}, low-temperature isomer","","- C24 H10 F12 O8 Rh2 -","- C24 H10 F12 O8 Rh2 -","- C96 H40 F48 O32 Rh8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.048","0.044","","0.108","0.1031","","","","1.085","1.088","1.088","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115797","10.1","0.003","17.535","0.003","15.969","0.001","90","","103.45","0.01","90","","2750.6","1","213","2","213","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(2,3):η1(7)-fluoranthene)}, high-temperature isomer","","- C24 H10 F12 O8 Rh2 -","- C24 H10 F12 O8 Rh2 -","- C96 H40 F48 O32 Rh8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0748","0.0588","","0.1491","0.1302","","","","1.086","1.08","1.08","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115798","9.224","0.003","10.546","0.003","16.437","0.003","89.78","0.03","74.9","0.02","75.03","0.02","1487.9","0.7","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(5,6):η2(10,11)-1,2-benzanthracene)}","","- C26 H12 F12 O8 Rh2 -","- C26 H12 F12 O8 Rh2 -","- C52 H24 F24 O16 Rh4 -","2","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0809","0.0634","","0.1654","0.1455","","","","1.09","1.087","1.087","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115799","8.653","0.001","9.2512","0.0008","12.88","0.002","80.292","0.005","74.776","0.006","88.113","0.006","980.6","0.2","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Tetrakis(μ-trifluoroacetato-κO,κO')dirhodium(II,II)- bis(η2(1,2)-triphenylene)","","- C44 H24 F12 O8 Rh2 -","- C44 H24 F12 O8 Rh2 -","- C44 H24 F12 O8 Rh2 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.05","0.0434","","0.1055","0.0984","","","","1.093","1.076","1.076","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115800","9.42","0.001","10.215","0.001","19.648","0.005","94.99","0.02","95.29","0.01","95.05","0.01","1866.6","0.6","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Catena-poly{tris[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)]-bis(μ3-η2(1,2):η2(7,8):η2(9,10)- triphenylene)}","","- C60 H24 F36 O24 Rh6 -","- C60 H24 F36 O24 Rh6 -","- C60 H24 F36 O24 Rh6 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.1253","0.0866","","0.1965","0.1666","","","","1.112","1.131","1.131","","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115801","8.578","0.002","9.2958","0.0007","9.404","0.002","98.62","0.04","106.128","0.008","97.91","0.02","699.4","0.3","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(5,6):η2(11,12)-chrysene)}","","- C26 H12 F12 O8 Rh2 -","- C26 H12 F11.952 O8 Rh2 -","- C26 H12 F11.952 O8 Rh2 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0527","0.047","","0.1306","0.1235","","","","1.063","1.07","1.07","","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115802","34.16","0.02","12.551","0.009","17.77","0.03","90","","100.68","0.08","90","","7487","15","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(1-oxyl-3-oxido-4,4,5,5-tetramethyl-2-imidazolin-2-yl)-benzoic acid 2,4-bis(1-oxyl-3-oxido-4,4,5,5-tetramethyl-2-imidazolin-2-yl)-phenyl ester","","- C40 H57 N6 O8 -","- C40 H43 N6 O8 -","- C320 H344 N48 O64 -","8","1","","Daisuke Shiomi; Takayasu Kanaya; Kazunobu Sato; Masaki Mito; Kazuyoshi Takeda; Takeji Takui","Single-Component Molecule-Based Ferrimagnetics","Journal of the American Chemical Society","2001","123","","11823","11824","10.1021/ja016827q","","","0.7107","MoKα","","","0.0675","","","","0.1763","","","","","","1.771","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115803","13.38","0.0004","32.335","0.001","14.2883","0.0003","90","","106.74","0.002","90","","5919.8","0.3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bow-tie hexaoxo-octapyrocatecholato-decatitanium","bis((μ4-oxo)-(μ3-(O,O,O',O')-pyrocatecholato)-(1-butanol)- bis(μ2-oxo)-bis(μ-1-butoxo)-tris(μ2-(O,O,O')-pyrocatecholato)- tetrakis(1-butoxy)-pentatitanium)","","- C52 H79 O18 Ti5 -","- C52 H52 O18 Ti5 -","- C208 H208 O72 Ti20 -","4","1","","Karine Gigant; Adel Rammal; Marc Henry","Synthesis and Molecular Structures of Some New Titanium(IV) Aryloxides","Journal of the American Chemical Society","2001","123","","11632","11637","10.1021/ja016930f","","","0.71073","Mo-Kα","","0.137","0.059","","0.45","","0.086","","","7.449","","","1.388","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115804","14.266","0.0004","13.224","0.0007","15.847","0.0007","90","","100.699","0.003","90","","2937.6","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tris(salicylato)titanium(IV)","(salicylato-O,O')-bis((2-carboxylato)-phenolato)-titanium(IV)1-butanol solvate","","- C29 H34 O11 Ti -","- C29 H21 O11 Ti -","- C116 H84 O44 Ti4 -","4","1","","Karine Gigant; Adel Rammal; Marc Henry","Synthesis and Molecular Structures of Some New Titanium(IV) Aryloxides","Journal of the American Chemical Society","2001","123","","11632","11637","10.1021/ja016930f","","","0.71073","Mo-Kα","","0.111","0.062","","0.091","","0.081","","","1.688","","","1.548","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115805","13.956","0.0004","20.738","0.0007","16.133","0.0005","90","","97.639","0.003","90","","4627.8","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Hexabiphenol-tetraoxo-hexatitanium ladder","bis((μ2-2,2'-biphenolato(O,O'))-(μ2-isopropoxy)-isopropoxy-isopropanol- bis(μ3-oxo)-bis(μ2-2,2'-biphenolato(O,O,O'))-trititanium) chloroform solvate","","- C92 H92 Cl6 O22 Ti6 -","- C92 H90 Cl6 O22 Ti6 -","- C184 H180 Cl12 O44 Ti12 -","2","0.5","","Karine Gigant; Adel Rammal; Marc Henry","Synthesis and Molecular Structures of Some New Titanium(IV) Aryloxides","Journal of the American Chemical Society","2001","123","","11632","11637","10.1021/ja016930f","","","0.71073","Mo-Kα","","0.108","0.064","","0.111","","0.078","","","1.89","","","1.323","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115806","35.256","0.011","8.899","0.003","23.52","0.006","90","","112.33","0.02","90","","6826","4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C288 H416 O64 -","16","2","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.2633","0.1561","","","0.4266","0.4611","","","","","","1.212","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115807","10.8944","0.0003","6.9835","0.0002","40.0783","0.001","90","","94.901","0.001","90","","3038.05","0.14","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 O4.5 -","- C17 H27 O4.5 -","- C136 H216 O36 -","8","2","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.1536","0.0705","","","0.1316","0.1701","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115808","8.25","0.002","13.151","0.004","14.797","0.004","69.69","0.02","73.85","0.02","71.71","0.02","1403.5","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H24 O4 -","- C15 H21.5 O4 -","- C60 H86 O16 -","4","2","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.3328","0.0869","","","0.1624","0.2427","","","","","","0.937","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115809","7.142","0.001","10.685","0.001","17.143","0.001","90","","93.65","0.01","90","","1305.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.1644","0.0497","","","0.1033","0.1324","","","","","","0.952","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115810","7.076","0.003","12.211","0.004","16.676","0.006","90","","90","","90","","1440.9","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.1721","0.0553","","","0.1226","0.1579","","","","","","0.988","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115811","7.7631","0.0002","8.2042","0.0002","11.842","0.0003","79.743","0.001","88.046","0.001","69.419","0.001","694.46","0.03","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.0874","0.063","","","0.1402","0.156","","","","","","1.08","","","","has coordinates","209481","2020-10-21","18:00:00",""
"4115812","14.175","0.003","14.183","0.003","14.574","0.004","90","","90","","90","","2930","1.2","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C30 H52 O8 -","- C30 H52 O8 -","- C120 H208 O32 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.0685","0.0481","","","0.1095","0.1211","","","","","","1.067","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115813","7.678","0.002","7.864","0.002","11.841","0.006","100.27","0.03","92.28","0.03","109.95","0.02","657.4","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O4 -","- C13 H22 O4 -","- C26 H44 O8 -","2","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.2365","0.0623","","","0.1138","0.1627","","","","","","0.915","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115814","14.0518","0.0003","14.1426","0.0002","14.9534","0.0002","90","","90","","90","","2971.67","0.09","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H26 O4 -","- C16 H26 O4 -","- C128 H208 O32 -","8","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.0945","0.0577","","","0.112","0.1278","","","","","","1.094","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115815","7.812","0.001","8.015","0.001","11.023","0.001","73.79","0.007","79.72","0.007","68.35","0.007","613.79","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C26 H40 O10 -","2","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.0521","0.0381","","","0.098","0.1051","","","","","","1.051","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115816","13.3863","0.0002","11.4029","0.0003","8.9169","0.0003","90","","91.755","0.001","90","","1360.46","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O4 S -","- C13 H20 O4 S -","- C52 H80 O16 S4 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.1296","0.0922","","","0.2524","0.2685","","","","","","1.095","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115817","7.4739","0.0001","9.1783","0.0001","9.9889","0.0001","97.006","0.001","96.613","0.001","94.8825","0.002","672.149","0.014","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20 O6 S -","- C13 H20 O6 S -","- C26 H40 O12 S2 -","2","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.0501","0.0383","","","0.0938","0.1005","","","","","","1.035","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115818","7.173","0.003","7.998","0.002","10.514","0.002","82.88","0.02","88.25","0.02","83.06","0.03","594.1","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 O4 -","- C13 H20 O3 -","- C26 H40 O6 -","2","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.131","0.0823","","","0.2275","0.2618","","","","","","1.049","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115819","7.962","0.002","19.376","0.006","8.053","0.004","90","","110.69","0.03","90","","1162.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C48 H80 O16 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.0824","0.0423","","","0.1","0.1137","","","","","","1.015","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115820","10.1402","0.0002","13.0837","0.0003","13.3685","0.0003","60.7325","0.0015","86.7121","0.0013","80.4379","0.0013","1525.13","0.06","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H40 F24 Mn2 N4 O8 -","- C53 H40 F24 Mn2 N4 O8 -","- C53 H40 F24 Mn2 N4 O8 -","1","0.5","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.0889","0.0528","","","0.1118","0.129","","","","","","1.012","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115821","13.3971","0.0018","23.866","0.004","10.1985","0.0016","90","","95.702","0.011","90","","3244.7","0.9","200","1","200","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C59 H44 F24 Mn2 N4 O8 -","- C59 H32 F24 Mn2 N4 O8 -","- C118 H64 F48 Mn4 N8 O16 -","2","0.25","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.1274","0.08","","","0.1953","0.224","","","","","","1.046","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115822","13.6022","0.0006","15.4929","0.0006","17.3102","0.0005","69.198","0.002","72.195","0.002","73.27","0.002","3180.2","0.2","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H44 F24 Mn2 N4 O8 -","- C60 H44 F24 Mn2 N4 O8 -","- C120 H88 F48 Mn4 N8 O16 -","2","1","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.1273","0.0547","","","0.1034","0.1288","","","","","","1.009","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115823","14.2058","0.0003","9.992","0.0003","14.4406","0.0003","90","","102.674","0.001","90","","1999.82","0.08","200","1","200","1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C38 H32 F12 Mn N2 O4 -","- C38 H32 F12 Mn N2 O4 -","- C76 H64 F24 Mn2 N4 O8 -","2","1","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.0763","0.0497","","","0.1078","0.1208","","","","","","1.055","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115824","10.0966","0.0004","13.1001","0.0004","13.3725","0.0004","61.1082","0.0018","86.596","0.002","80.188","0.002","1525.39","0.09","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H40 F24 Mn2 N4 O9 -","- C53 H40 F24 Mn2 N4 O9 -","- C53 H40 F24 Mn2 N4 O9 -","1","0.5","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.0917","0.0743","","","0.1991","0.211","","","","","","1.095","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115825","14.0984","0.0003","14.6254","0.0004","16.4762","0.0003","80.7262","0.0013","78.7341","0.0013","89.5633","0.0013","3287.3","0.13","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H42 F24 Mn2 N6 O12 -","- C58 H42 F24 Mn2 N6 O12 -","- C116 H84 F48 Mn4 N12 O24 -","2","1","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.1003","0.0612","","","0.1493","0.1726","","","","","","1.029","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115826","14.0007","0.0005","14.7834","0.0005","16.4656","0.0004","80.8755","0.0018","78.1471","0.0016","89.4096","0.0015","3292.27","0.18","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H42 F24 Mn2 N6 O8 -","- C60 H42 F24 Mn2 N6 O8 -","- C120 H84 F48 Mn4 N12 O16 -","2","1","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.1003","0.0532","","","0.111","0.1312","","","","","","1.012","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115827","12.305","0.006","31.22","0.019","19.105","0.009","90","0.07","91.25","0.04","90","0.04","7338","7","153","5","153","5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 N10 Se10 Te2 Yb4 -","- C62 H60 N10 Se10 Te2 Yb4 -","- C248 H240 N40 Se40 Te8 Yb16 -","4","1","","Anna Y. Kornienko; Thomas J. Emge; John G. Brennan","Chalcogen-Rich Lanthanide Clusters: Cluster Reactivity and the Influence of Ancillary Ligands on Structure","Journal of the American Chemical Society","2001","123","","11933","11939","10.1021/ja011487u","","","0.7107","MoKα","","0.169","0.068","","","0.1614","0.1838","","","","","","1","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115828","10.928","0.009","12.96","0.009","14.658","0.003","91.27","0.05","89.89","0.05","110.14","0.06","1949","2","153","5","153","5","","","","","","","","6","P -1","-P 1","2","","","","- C37 H35 N5 S2 Se3 Yb2 -","- C37 H35 N5 S2 Se3 Yb2 -","- C74 H70 N10 S4 Se6 Yb4 -","2","1","","Anna Y. Kornienko; Thomas J. Emge; John G. Brennan","Chalcogen-Rich Lanthanide Clusters: Cluster Reactivity and the Influence of Ancillary Ligands on Structure","Journal of the American Chemical Society","2001","123","","11933","11939","10.1021/ja011487u","","","0.71073","MoKα","","0.058","0.0335","","","0.0796","0.0849","","","","","","1.004","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115829","12.405","0.006","30.97","0.02","18.881","0.01","90","0.06","92.25","0.04","90","0.05","7248","7","153","5","153","5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 N10 Se11.38 Yb4 -","- C62 H60 N10 Se11.396 Yb4 -","- C248 H240 N40 Se45.584 Yb16 -","4","1","","Anna Y. Kornienko; Thomas J. Emge; John G. Brennan","Chalcogen-Rich Lanthanide Clusters: Cluster Reactivity and the Influence of Ancillary Ligands on Structure","Journal of the American Chemical Society","2001","123","","11933","11939","10.1021/ja011487u","","","0.71073","MoKα","","0.1","0.0558","","","0.1409","0.1536","","","","","","1.003","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115830","10.693","0.002","12.514","0.003","14.836","0.003","74.3","0.03","75.73","0.03","69.95","0.03","1769.2","0.8","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H56 Ir2 N6 P2 -","- C27 H56 Ir2 N6 P2 -","- C54 H112 Ir4 N12 P4 -","2","1","","Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro","Transmission of Trans Effects in Dinuclear Complexes","Journal of the American Chemical Society","2001","123","","11925","11932","10.1021/ja016213l","","","0.71073","MoKα","","0.046","0.0311","","","0.0637","0.0714","","","","","","1.064","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115831","12.187","0.003","16.457","0.003","22.246","0.005","88.294","0.004","83.524","0.004","82.862","0.003","4398.3","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H56.5 Cl5.5 Ir2 N6 P2 -","- C28.5 H13 Cl5.5 Ir2 N6 P2 -","- C114 H52 Cl22 Ir8 N24 P8 -","4","2","","Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro","Transmission of Trans Effects in Dinuclear Complexes","Journal of the American Chemical Society","2001","123","","11925","11932","10.1021/ja016213l","","","0.71073","MoKα","","0.1097","0.0628","","","0.1578","0.1739","","","","","","0.94","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115832","20.598","0.004","12.756","0.003","16.001","0.003","90","","110.03","0.02","90","","3949.9","1.5","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H59 Cl Ir2 N2 O7 P2 -","- C34 H53 Cl Ir2 N2 O7 P2 -","- C136 H212 Cl4 Ir8 N8 O28 P8 -","4","1","","Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro","Transmission of Trans Effects in Dinuclear Complexes","Journal of the American Chemical Society","2001","123","","11925","11932","10.1021/ja016213l","","","0.71073","MoKα","","0.0746","0.0459","","","0.102","0.1144","","","","","","0.996","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115833","11.7846","0.0011","18.3407","0.0018","20.285","0.002","100.799","0.002","102.636","0.002","102.471","0.002","4048.6","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H58 F3 Ir2 N2 O5.5 P2 S -","- C34 H53 F3 Ir2 N2 O5.5 P2 S -","- C136 H212 F12 Ir8 N8 O22 P8 S4 -","4","2","","Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro","Transmission of Trans Effects in Dinuclear Complexes","Journal of the American Chemical Society","2001","123","","11925","11932","10.1021/ja016213l","","","0.71073","MoKα","","0.1385","0.0568","","","0.0777","0.0923","","","","","","0.746","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115834","11.8839","0.0008","19.9638","0.0013","20.7764","0.0013","90","","91.4","0.001","90","","4927.7","0.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H69.5 F3 Ir2 N4 O6.25 P2 S -","- C40 H57 F3 Ir2 N4 O6.25 P2 S -","- C160 H228 F12 Ir8 N16 O25 P8 S4 -","4","1","","Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro","Transmission of Trans Effects in Dinuclear Complexes","Journal of the American Chemical Society","2001","123","","11925","11932","10.1021/ja016213l","","","0.71073","MoKα","","0.0848","0.0462","","","0.0874","0.0926","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115835","11.65","0.003","10.091","0.002","15.094","0.003","90","","104.271","0.005","90","","1719.7","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","Cobalt(III)hexaammineironpentacyanidecarbonyl","","- C6 H24 Co Fe N11 O4 -","- C6 H18 Co Fe N11 O4 -","- C24 H72 Co4 Fe4 N44 O16 -","4","1","","Jianfeng Jiang; Andrew Acunzo; Stephen A. Koch","Chemistry of [FeII(CN)5(CO)]3- New Observations for a 19th Century Compound","Journal of the American Chemical Society","2001","123","","12109","12110","10.1021/ja016434r","","","0.71073","MoKα","","0.1404","0.058","","","0.1231","0.1493","","","","","","0.795","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115836","5.6799","0.0005","16.997","0.002","4.9876","0.0005","90.03","0.002","96.11","0.003","93.385","0.003","477.93","0.09","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 N2 O4 -","- C20 H28 N2 O4 -","- C20 H28 N2 O4 -","1","0.5","","Nagahama, Sadamu; Matsumoto, Akikazu","Synchronized Propagation Mechanism for Crystalline-State Polymerization of p-Xylylenediammonium Disorbate","Journal of the American Chemical Society","2001","123","49","12176","12181","10.1021/ja011575e","","","0.7107","MoKα","","","0.062","","","","0.104","","","","","","1.732","","","","has coordinates","210876","2020-10-21","18:00:00",""
"4115837","12.7","0.003","13.608","0.002","18.681","0.002","90","","103.61","0.01","90","","3137.8","0.9","296.2","","296.2","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Cl F6 N4 O2 P2 Ru -","- C27 H27 Cl F6 N4 O3 P2 Ru -","- C108 H108 Cl4 F24 N16 O12 P8 Ru4 -","4","1","","Dusan Hesek; Guy A. Hembury; Michael G. B. Drew; Victor V. Borovkov; Yoshihisa Inoue","Photochromic Atropisomer Generation and Conformation Determination in a Ruthenium Bis(bipyridine) Phosphonite γ-Cyclodextrin System","Journal of the American Chemical Society","2001","123","","12232","12237","10.1021/ja0116167","","","0.71073","MoKα","","0.1259","0.0456","","","0.1202","0.1495","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115838","9.774","0.001","9.774","0.001","4.197","0.001","90","","90","","90","","400.94","0.11","293","2","293","2","","","","","","","","4","P 4","P 4","75","nickel bismuth iodide","nickel bismuth sulphoiodide","","- Bi8 I Ni8 S -","- Bi8 I Ni8 S -","- Bi8 I Ni8 S -","1","0.25","","Alexey I. Baranov; Lars A. Kloo; Andrei V. Olenev; Boris A. Popovkin; Anatolii I. Romanenko; Andrei V. Shevelkov","Unique Metallic Wires in a Novel Quasi-1D Compound. Synthesis, Crystal and Electronic Structure, and Properties of Ni8Bi8SI","Journal of the American Chemical Society","2001","123","","12375","12379","10.1021/ja0167001","","","0.71073","MoKα","","0.1097","0.0671","","","0.1594","0.178","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115839","9.345","0.003","10.092","0.002","12.695","0.002","88.11","0.02","69.93","0.02","83.13","0.03","1116.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H31 O4 P -","- C23 H31 O4 P -","- C46 H62 O8 P2 -","2","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.0556","0.0403","","","0.1054","0.1192","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115840","15.271","0.003","9.39","0.002","17.055","0.003","90","","112.8","0.02","90","","2254.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 O4 P -","- C23 H31 O4 P -","- C92 H124 O16 P4 -","4","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1399","0.0571","","","0.1104","0.1543","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115841","9.617","0.002","22.944","0.002","23.369","0.004","90","","99.24","0.02","90","","5089.5","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H74 O10 P2 -","- C50 H74 O10 P2 -","- C200 H296 O40 P8 -","4","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.0925","0.0506","","","0.124","0.1518","","","","","","1.034","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115842","8.601","0.003","12.744","0.002","13.149","0.002","107.95","0.02","107.2","0.02","103.49","0.03","1223.5","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H35 O5 P -","- C24 H35 O5 P -","- C48 H70 O10 P2 -","2","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.0633","0.042","","","0.114","0.1338","","","","","","1.094","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115843","13.323","0.003","9.806","0.002","21.147","0.003","90","","92.19","0.02","90","","2760.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 N2 O5 P -","- C27 H39 N2 O5 P -","- C108 H156 N8 O20 P4 -","4","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.0705","0.0419","","","0.1055","0.1257","","","","","","1.061","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115844","23.6647","0.0019","12.624","0.002","22.149","0.005","90","","95.301","0.014","90","","6588.6","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 N4 O4.5 P -","- C32 H42 N4 O4.5 P -","- C256 H336 N32 O36 P8 -","8","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1143","0.0561","","","0.1404","0.1783","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115845","16.936","0.0012","19.447","0.006","22.983","0.003","90","","111.093","0.009","90","","7062","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H101 K O16 P2 -","- C66 H101 K O16 P2 -","- C264 H404 K4 O64 P8 -","4","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1721","0.0633","","","0.1446","0.203","","","","","","1.007","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115846","12.219","0.003","10.395","0.002","12.94","0.005","90","","109.26","0.02","90","","1551.6","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H40 N3 O6 P -","- C28 H40 N3 O6 P -","- C56 H80 N6 O12 P2 -","2","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1043","0.0592","","","0.1464","0.1898","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115847","13.312","0.003","14.871","0.003","14.95","0.009","90","","97.66","0.03","90","","2933","2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C28.5 H38 N5 O4.5 P -","- C28.5 H38 N5 O4.5 P -","- C114 H152 N20 O18 P4 -","4","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1394","0.0621","","","0.1632","0.22","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115848","14.647","0.003","10.056","0.002","19.454","0.003","90","","96.998","0.01","90","","2844","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H40 N O6 P -","- C28 H40 N O6 P -","- C112 H160 N4 O24 P4 -","4","2","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.0739","0.0434","","","0.1104","0.1392","","","","","","1.07","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115849","7.638","0.004","13.286","0.004","18.879","0.003","90","","92.61","0.03","90","","1913.8","1.2","292.2","","292.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O -","- C21 H29 N O -","- C84 H116 N4 O4 -","4","1","","Jonathan Clayden; Madeleine Helliwell; Jennifer H. Pink; Neil Westlund","Stereospecificity and Stereoselectivity in Electrophilic Substitution Reactions of Non-α-Heterosubstituted Organolithiums and Stannanes: A Rotationally Restricted Amide as an Internal Stereochemical Marker","Journal of the American Chemical Society","2001","123","","12449","12457","10.1021/ja0112590","","","0.7107","MoKα","","0.1203","0.0643","","0.0546","0.0504","","","","2.316","2.855","2.855","","","","","has coordinates","209479","2020-10-21","18:00:00",""
"4115850","7.694","","13.465","","22.077","","90","","97.1","","90","","2269.63","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 N O Sn -","- C22 H33 N O Sn -","- C88 H132 N4 O4 Sn4 -","4","1","","Jonathan Clayden; Madeleine Helliwell; Jennifer H. Pink; Neil Westlund","Stereospecificity and Stereoselectivity in Electrophilic Substitution Reactions of Non-α-Heterosubstituted Organolithiums and Stannanes: A Rotationally Restricted Amide as an Internal Stereochemical Marker","Journal of the American Chemical Society","2001","123","","12449","12457","10.1021/ja0112590","","","0.71069","MoKα","","0.0531","0.0365","","","0.097","0.1058","","","","","","1.074","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115851","21.484","0.001","14.019","0.002","11.0229","0.0009","90","","90","","90","","3319.9","0.6","150.2","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C32 H58 Si4 -","- C32 H58 Si4 -","- C128 H232 Si16 -","4","0.5","","Takeaki Iwamoto; Dongzhu Yin; Chizuko Kabuto; Mitsuo Kira","The First 1,3-Disilabicyclo[1.1.0]butane with Long-Bridge Silicon-Silicon Bond","Journal of the American Chemical Society","2001","123","","12730","12731","10.1021/ja011658v","","","0.7107","MoKα","","","0.0431","","","","0.1361","","","","","","0.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115852","39.7863","0.002","12.6041","0.0006","25.4511","0.0013","90","","107.363","0.001","90","","12181.4","1.1","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H52 B2 F24 N6 O Pt -","- C57 H52 B2 F33 N6 O Pt -","- C456 H416 B16 F264 N48 O8 Pt8 -","8","1","","Stefan Reinartz; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Structural Characterization of an Intermediate in Arene C-H Bond Activation and Measurement of the Barrier to C-H Oxidative Addition: A Platinum(II) η2-Benzene Adduct","Journal of the American Chemical Society","2001","123","","12724","12725","10.1021/ja011765p","","","0.71073","MolybdenumKα","","0.081","0.053","","0.071","0.067","","","","","2.03","2.03","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115853","4.223","0.0007","11.2105","0.0017","12.332","0.002","90","","94.544","0.016","90","","581.99","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 O2 S -","- C4 H6 O2 S -","- C16 H24 O8 S4 -","4","1","","Rosana M. Romano; Carlos O. Della Védova; Anthony J. Downs; Heinz Oberhammer; Simon Parsons","Structure and Conformational Properties of Diacetyl Sulfide in the Gaseous and Condensed Phases Explored by Gas Electron Diffraction, Single-Crystal X-ray Diffraction, Vibrational Spectroscopy, and Quantum Chemical Calculations","Journal of the American Chemical Society","2001","123","","12623","12631","10.1021/ja0117884","","","0.71073","MoKα","","0.0339","0.0267","","","0.0636","0.0664","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115854","12.5705","0.0013","22.028","0.002","4.6401","0.0005","90","","90","","90","","1284.9","0.2","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Bi9 Yb9 Zn4 -","- Bi9 Yb9 Zn4 -","- Bi18 Yb18 Zn8 -","2","0.25","","Sung-Jin Kim; Jim Salvador; Daniel Bilc; S. D. Mahanti; Mercouri G. Kanatzidis","Yb9Zn4Bi9: Extension of the Zintl Concept to the Mixed-Valent Spectator Cations","Journal of the American Chemical Society","2001","123","","12704","12705","10.1021/ja0168965","","","0.71073","MoKα","","0.0436","0.0378","","","0.1331","0.1364","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115855","16.9109","0.0008","24.267","0.002","30.21","0.003","90","","90","","90","","12397.5","1.7","120","2","120","2","","","","","","","","6","I 2 2 2","I 2 2","23","ASU-16","","","- C6 H18 F4 Ge14 N3 O32 -","- C6 H18 F4 Ge14 N3 O32 -","- C48 H144 F32 Ge112 N24 O256 -","8","1","","Jacques Plévert; Travis M. Gentz; Aaron Laine; Hailian Li; Victor G. Young; Omar M. Yaghi; Michael O'Keeffe","A Flexible Germanate Structure Containing 24-Ring Channels and with Very Low Framework Density","Journal of the American Chemical Society","2001","123","","12706","12707","10.1021/ja016996a","","","0.5594","X-rays","","0.0442","0.0385","","","0.0913","0.0924","","","","","","0.967","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115856","12.3129","0.0018","10.0702","0.0013","8.8975","0.0012","90","","126.471","0.002","90","","887.2","0.2","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","bispotassium salt of closo-B-1,12-decahydroxy-bis(sulfonic acid)-p-carborane dihydrate","K2 closo-2,3,4,5,6,7,8,9,10,11-decahydroxy-1,12-bis(sulfonic acid)- 1,12-dicarbadodecaborane(12) (H2O)2","","- C2 H14 B10 K2 O18 S2 -","- C2 H14 B10 K2 O18 S2 -","- C4 H28 B20 K4 O36 S4 -","2","0.25","","Axel Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","Synthesis, Structure, and Reactivity of closo-2,3,4,5,6,7,8,9,10,11-Decahydroxy-1,12-bis(sulfonic acid)-1,12-dicarbadodecaborane(12)","Journal of the American Chemical Society","2001","123","","12791","12797","10.1021/ja011917g","","","0.71073","MoKα","","0.0298","0.0263","","","0.0705","0.0745","","","","","","0.516","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115857","15.5395","0.0015","13.5678","0.0014","13.6715","0.0014","90","","93.092","0.002","90","","2878.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","closo-2,3,4,5,6,7,8,9,10,11-decamethoxy-1,12-bis(sulfonic acid methyl ester)-1,12-dicarbadodecaborane(12)","","- C14 H36 B10 O16 S2 -","- C14 H36 B10 O16 S2 -","- C56 H144 B40 O64 S8 -","4","1","","Axel Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","Synthesis, Structure, and Reactivity of closo-2,3,4,5,6,7,8,9,10,11-Decahydroxy-1,12-bis(sulfonic acid)-1,12-dicarbadodecaborane(12)","Journal of the American Chemical Society","2001","123","","12791","12797","10.1021/ja011917g","","","0.71073","MoKα","","0.1005","0.0794","","","0.2118","0.2386","","","","","","0.994","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115858","7.4735","0.0014","7.9376","0.0015","9.5097","0.0018","77.594","0.004","73.677","0.003","68.076","0.003","498.4","0.16","298","2","100","2","","","","","","","","5","P -1","-P 1","2","bis hydronium salt of closo-B-decahydroxy-1,12-bis(sulfonic acid)-p-carborane","Closo-2,3,4,5,6,7,8,9,10,11-decahydroxy-1,12-bis(sulfonic acid)- 1,12-dicarbadodecaborane(12)","","- C2 H24 B10 O22 S2 -","- C2 H24 B10 O22 S2 -","- C2 H24 B10 O22 S2 -","1","0.5","","Axel Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","Synthesis, Structure, and Reactivity of closo-2,3,4,5,6,7,8,9,10,11-Decahydroxy-1,12-bis(sulfonic acid)-1,12-dicarbadodecaborane(12)","Journal of the American Chemical Society","2001","123","","12791","12797","10.1021/ja011917g","","","0.71073","MoKα","","0.0301","0.0296","","","0.081","0.0813","","","","","","1.058","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115859","16.282","0.005","7.343","0.002","16.735","0.005","90","","102.579","0.005","90","","1952.8","1","373","2","373","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bissodium salt of closo-B-decahydroxy-1,12-bis(sulfonic acid)-p-carborane","bissodium salt of closo-2,3,4,5,6,7,8,9,10,11-decahydroxy-1,12-bis-(sulfonic acid)- 1,12-dicarbadodecaborane(12)","","- C2 H18 B10 Na2 O20 S2 -","- C2 H18 B10 Na2 O20 S2 -","- C8 H72 B40 Na8 O80 S8 -","4","0.5","","Axel Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","Synthesis, Structure, and Reactivity of closo-2,3,4,5,6,7,8,9,10,11-Decahydroxy-1,12-bis(sulfonic acid)-1,12-dicarbadodecaborane(12)","Journal of the American Chemical Society","2001","123","","12791","12797","10.1021/ja011917g","","","0.71073","MoKα","","0.0594","0.0342","","","0.0779","0.0851","","","","","","0.961","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115860","8.8396","0.0006","20.387","0.002","16.916","0.001","90","","93.02","0.001","90","","3044.2","0.4","173","2","173","2","","","","","","","M. Costas, Prof. L. Que","7","C 1 c 1","C -2yc","9","99339","","","- C24 H32 F6 Fe N4 O6 S2 -","- C24 H32 F6 Fe N4 O6 S2 -","- C96 H128 F24 Fe4 N16 O24 S8 -","4","1","","Miquel Costas; Jan-Uwe Rohde; Audria Stubna; Raymond Y. N. Ho; Luca Quaroni; Eckard Münck; Lawrence Que","A Synthetic Model for the Putative FeIV2O2 Diamond Core of Methane Monooxygenase Intermediate Q","Journal of the American Chemical Society","2001","123","","12931","12932","10.1021/ja017204f","","","0.71073","MoKα","","0.0474","0.0417","","0.1033","0.0988","","","","0.997","1.012","1.012","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4123958","23.58","","23.58","","43.922","","90","","90","","90","","24421.4","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","(Cd4 In16 S33) (H2 O)20 ((N2 C4 H8) ((N H2) C3 H6)2)2.5","","- Cd4 In16 S33 -","- Cd4 In16 S33 -","- Cd32 In128 S264 -","8","0.25","","Li, H.-L.; Kim, J.; O'Keeffe, M.; Groy, T.L.; Yaghi, O.M.","20 A (Cd4 In16 S35)(14-) supertetrahedral T4 clusters as building units in decorated cristobalite frameworks","Journal of the American Chemical Society","2001","123","","4867","4868","","","","","","","","","","","","","","","","","","","","","","has coordinates","146810","2020-10-21","18:00:00",""
"4123959","13.1","","13.1","","13.8","","90","","90","","90","","2368.22","","","","","","","","","","","","","2","P 42/m m c","-P 4c 2","131","","(Si O2)32","","- O64 Si32 -","- O64 Si32 -","- O64 Si32 -","1","0.0625","","Liu, Z.; Diaz-Cabanas, M.J.; Ohsuna, T.; Terasaki, O.; Hiraga, K.; Camblor, M.A.","The first zeolite with three-dimensional intersecting straight-channel system of 12-membered rings","Journal of the American Chemical Society","2001","123","","5370","5371","","","","","","","","","","","","","","","","","","","","","","has coordinates","146877","2020-10-21","18:00:00",""
"4123960","8.701","","9.21","","12.385","","111.11","","101.42","","102.08","","863.77","","","","","","","","","","","","","6","P -1","-P 1","2","","(Al4 (P O4)4 (O H)) (C4 H10 N)","","- C4 H11 Al4 N O17 P4 -","- C4 Al4 N O17 P4 -","- C8 Al8 N2 O34 P8 -","2","1","","Loiseau, T.; Ferey, G.; Mellot-Draznieks, C.; Sassoye, C.; Girard, S.; Huguenard, C.; Taulelle, F.; Guillou, N.","Chemistry - structure - simulation or chemistry - simulation - structure sequences? the case of MIL-34, a new porous aluminophosphate","Journal of the American Chemical Society","2001","123","","9642","9651","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123961","8.784","","8.784","","12.85","","110.43","","98.5","","104.92","","866.319","","","","","","","","","","","","","3","P -1","-P 1","2","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al8 O32 P8 -","8","4","","Loiseau, T.; Mellot-Draznieks, C.; Taulelle, F.; Girard, S.; Sassoye, C.; Ferey, G.; Huguenard, C.; Guillou, N.","Chemistry - structure - simulation or chemistry - simulation - structure sequences? the case of MIL-34, a new porous aluminophosphate","Journal of the American Chemical Society","2001","123","","9642","9651","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123962","8.959","","5.6327","","9.13","","90","","90.159","","90","","460.729","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(N H4) (Zn As O4)","","- As H4 N O4 Zn -","- As N O4 Zn -","- As4 N4 O16 Zn4 -","4","2","","Feng, P.-Y.; Zhang, T.-Z.; Bu Xianhui","Arsenate zeolite analogues with 11 topological types","Journal of the American Chemical Society","2001","123","","8608","8609","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123963","13.8527","","13.8527","","13.8527","","90","","90","","90","","2658.3","","","","","","","","","","","","","5","I 21 3","I 2b 2c 3","199","","(N H4) (Zn (H2 O)) (Zn As O4)3","","- As3 H6 N O13 Zn4 -","- As3 N O13 Zn4 -","- As24 N8 O104 Zn32 -","8","0.333333","","Feng, P.-Y.; Zhang, T.-Z.; Bu Xianhui","Arsenate zeolite analogues with 11 topological types","Journal of the American Chemical Society","2001","123","","8608","8609","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123964","6.0838","","4.214","","10.361","","90","","98.83","","90","","262.478","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Cu0.25 U Te3","","- Cu0.25 Te3 U -","- Cu0.25 Te3 U -","- Cu0.5 Te6 U2 -","2","0.5","","Patschke, R.; Breshears, J.D.; Kannewurf, C.R.; Brazis, P.; Billinge, S.J.L.; Kanatzidis, M.G.","Cux U Te3 : stabilization of U Te3 in the Zr Se3 structure type via copper insertion. the artifact of Te - Te chains and evidence for distortions due to long range modulations","Journal of the American Chemical Society","2001","123","","4755","4762","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123965","13.038","","21.175","","22.353","","85.966","","83.556","","77.854","","5988","","","","","","","","","","","","","8","P -1","-P 1","2","","Ag10.4 P2 V4 Mo20 O80 (N O3)0.4 (C H3 C N)17.3 (H2 O)1.5","","- C34.6 H54.9 Ag10.4 Mo20 N17.7 O82.7 P2 V4 -","- C34.599 Ag10.4 Mo19.9992 N17.6995 O82.7 P2 V4.0008 -","- C69.198 Ag20.8 Mo39.9984 N35.399 O165.4 P4 V8.0016 -","2","1","","Rhule, J.T.; Hill, C.L.; Neiwert, W.A.; Do, B.T.; Hardcastle, K.I.","Ag5 P V2 Mo10 O40, a heterogeneous catalyst for air-based selective oxidation at ambient temperature","Journal of the American Chemical Society","2001","123","","12101","12102","","","","","","","","","","","","","","","","","","","","","","has coordinates","147525","2020-10-21","18:00:00",""
"4123966","5.5898","","5.8502","","7.8665","","90","","90","","90","","257.246","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","La (Pd O3)","","- La O3 Pd -","- La O3 Pd -","- La4 O12 Pd4 -","4","0.5","","Kim, S.-J.; Lemaux, S.; Demazeau, G.; Choy, J.-H.; Kim, J.-Y.","La Pd O3 : the first Pd(III) oxide with the perovskite structure","Journal of the American Chemical Society","2001","123","","10413","10414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123967","11.5101","","11.5101","","11.5101","","90","","90","","90","","1524.89","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sm8 Ru12 Al49 Si9 (Al0.333 Si0.667)12","","- Al52.996 Ru12 Si17.004 Sm8 -","- Al52.996 Ru12 Si17.004 Sm8 -","- Al52.996 Ru12 Si17.004 Sm8 -","1","0.0208333","","Sieve, B.; Henning, R.; Chen, X.Z.; Kanatzidis, M.G.; Kannewurf, C.R.; Brazis, P.; Schultz, A.J.; Cowen, J.A.","Cubic aluminium silicides RE8 Ru12 Al49 Si9 (Alx Si12-x) (RE = Pr, Sm) from liquid aluminum. Empty (Si, Al)12 cuboctahedral clusters and assignment of the Al/Si distribution with neutron diffraction","Journal of the American Chemical Society","2001","123","","7040","7047","","","","","","","","","","","","","","","","","","","","","","has coordinates","147860","2020-10-21","18:00:00",""
"4123968","11.553","","11.553","","11.553","","90","","90","","90","","1542","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Pr8 Ru12 Al49 Si9 (Al0.37 Si0.63)12","","- Al53.44 Pr8 Ru12 Si16.56 -","- Al53.44 Pr8 Ru12 Si16.56 -","- Al53.44 Pr8 Ru12 Si16.56 -","1","0.0208333","","Sieve, B.; Chen, X.Z.; Henning, R.; Brazis, P.; Kannewurf, C.R.; Cowen, J.A.; Schultz, A.J.; Kanatzidis, M.G.","Cubic aluminium silicides RE8 Ru12 Al49 Si9 (Alx Si12-x) (RE= Pr, Sm) from liquid aluminum. Empty (Si, Al)12 cuboctahedral clusters and assignment of the Al/Si distribution with neutron diffraction","Journal of the American Chemical Society","2001","123","","7040","7047","","","","","","","","","","","","","","","","","","","","","","has coordinates","147862","2020-10-21","18:00:00",""
"4123969","9.6517","","9.6517","","13.048","","90","","90","","120","","1052.65","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","Sr6 Rh5 O15","","- O15 Rh5 Sr6 -","- O15 Rh5 Sr6 -","- O45 Rh15 Sr18 -","3","0.166667","","Stitzer, K.E.; Darriet, J.; El Abed, A.; zur Loye, H.C.","Growth of Sr6 Rh5 O15 single crystals from high-temperature solutions: structure determination using the traditional 3-D and the 4-D superspace group methods and magnetic measurements on oriented single crystals","Journal of the American Chemical Society","2001","123","","8790","8796","","","","","","","","","","","","","","","","","","","","","","has coordinates","147931","2020-10-21","18:00:00",""
"4123970","9.6517","","9.6517","","2.6096","","90","","90","","120","","210.529","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Sr6 Rh5 O15","","- O14.994 Rh4.998 -","- O14.994 Rh4.998 -","- O14.994 Rh4.998 -","1","0.0277778","","Stitzer, K.E.; El Abed, A.; zur Loye, H.C.; Darriet, J.","Growth of Sr6 Rh5 O15 single crystals from high-temperature solutions: structure determination using the traditional 3-D and the 4-D superspace group methods and magnetic measurements on oriented single crystals","Journal of the American Chemical Society","2001","123","","8790","8796","","","","","","","","","","","","","","","","","","","","","","has coordinates","147933","2020-10-21","18:00:00",""
"4123971","9.6517","","9.6517","","4.3493","","90","","90","","120","","350.879","","","","","","","","","","","","","1","P -3 c 1","-P 3 2""c","165","","Sr6 Rh5 O15","","- Sr6 -","- Sr6 -","- Sr6 -","1","0.0833333","","Stitzer, K.E.; El Abed, A.; Darriet, J.; zur Loye, H.C.","Growth of Sr6 Rh5 O15 single crystals from high-temperature solutions: structure determination using the traditional 3-D and the 4-D superspace group methods and magnetic measurements on oriented single crystals","Journal of the American Chemical Society","2001","123","","8790","8796","","","","","","","","","","","","","","","","","","","","","","has coordinates","147935","2020-10-21","18:00:00",""
"4123972","10.913","","12.654","","16.675","","90","","104.715","","90","","2227.18","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(N5) (Sb2 F11)","","- F11 N5 Sb2 -","- F11 N5 Sb2 -","- F88 N40 Sb16 -","8","1","","Vij, A.; Wilson, W.W.; Vij, V.; Sheehy, J.A.; Tham, F.S.; Christe, K.O.","Polynitrogen chemistry. Synthesis, characterization, and crystal structure of surprisingly stable fluoroantimonate salts of (N5)(+)","Journal of the American Chemical Society","2001","123","","6308","6313","","","","","","","","","","","","","","","","","","","","","","has coordinates","148172","2020-10-21","18:00:00",""
"4123973","15.6856","","3.8307","","20.7098","","90","","113.056","","90","","1144.99","","","","","","","","","","","","","2","A 1 2/m 1","-A 2y","12","","","","- Nb12 O29 -","- Nb12 O29 -","- Nb24 O58 -","2","0.25","","Waldron, J.E.L.; Green, M.A.; Neumann, D.A.","Charge and spin ordering in monoclinic Nb12 O29","Journal of the American Chemical Society","2001","123","","5833","5834","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4123974","42.122","","42.122","","16.703","","90","","90","","90","","29635.5","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Cd4 In16 S33) ((C5 H9 N H)2 (C H2)3)","","- Cd4 In16 S33 -","- Cd4 In16 S33 -","- Cd32 In128 S264 -","8","0.5","","Wang, C.; Li, Y.-Q.; Bu Xianhui; Zheng, N.-F.; Feng, P.-Y.; Zivkovic, O.; Yang, C.-S.","Three-dimensional superlattices built from (M4 In16 S33)(10-) (M= Mn, Co, Zn, Cd) supertetrahedral clusters","Journal of the American Chemical Society","2001","123","","11506","11507","","","","","","","","","","","","","","","","","","","","","","has coordinates","148193","2020-10-21","18:00:00",""
"4123975","41.811","","41.811","","16.685","","90","","90","","90","","29168","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Zn4 In16 S33) ((C5 H9 N H)2 (C H2)3)","","- In16 S33 Zn4 -","- In16 S33 Zn4 -","- In128 S264 Zn32 -","8","0.5","","Wang, C.; Li, Y.-Q.; Bu Xianhui; Zheng, N.-F.; Zivkovic, O.; Yang, C.-S.; Feng, P.-Y.","Three-dimensional superlattices built from (M4 In16 S33)(10-) (M = Mn, Co, Zn, Cd) supertetrahedral clusters","Journal of the American Chemical Society","2001","123","","11506","11507","","","","","","","","","","","","","","","","","","","","","","has coordinates","148194","2020-10-21","18:00:00",""
"4123976","41.698","","41.698","","16.673","","90","","90","","90","","28989.7","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Co4 In16 S33) ((C5 H9 N H)2 (C H2)3)","","- Co4 In16 S33 -","- Co4 In16 S33 -","- Co32 In128 S264 -","8","0.5","","Wang, C.; Li, Y.-Q.; Bu Xianhui; Feng, P.-Y.; Zheng, N.-F.; Zivkovic, O.; Yang, C.-S.","Three-dimensional superlattices built from (M4 In16 S33)(10-) (M = Mn, Co, Zn, Cd) supertetrahedral clusters","Journal of the American Chemical Society","2001","123","","11506","11507","","","","","","","","","","","","","","","","","","","","","","has coordinates","148195","2020-10-21","18:00:00",""
"4123977","23.58","","23.58","","43.922","","90","","90","","90","","24421.4","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","(Zn4 In16 S33) ((N2 C4 H8) ((N H2) C3 H6)2)","","- In16 S33 Zn4 -","- In16 S33 Zn4 -","- In128 S264 Zn32 -","8","0.25","","Wang, C.; Li, Y.-Q.; Feng, P.-Y.; Zheng, N.-F.; Zivkovic, O.; Yang, C.-S.; Bu Xianhui","Three-dimensional superlattices built from (M4 In16 S33)(10-) (M = Mn, Co, Zn, Cd) supertetrahedral clusters","Journal of the American Chemical Society","2001","123","","11506","11507","","","","","","","","","","","","","","","","","","","","","","has coordinates","148196","2020-10-21","18:00:00",""
"4124774","14.23659","","14.23659","","14.23659","","90","","90","","90","","2885.48","","","","","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","Ni4 ((Re (C N))6 Se8)2.667 (H2 O)45.8","","- C16.002 H91.6 N16.002 Ni4 O45.8 Re16.002 Se21.336 -","- C16.0008 N16.0008 Ni4 O45.8124 Re16.0008 Se21.3344 -","- C16.0008 N16.0008 Ni4 O45.8124 Re16.0008 Se21.3344 -","1","0.00520833","","Bennett, M.V.; Shores, M.P.; Beauvais, L.G.; Long, J.R.","Expanded prussian blue analogues incorporating (Re6 Se8 (C N)6)(3-/4-) clusters: adjusting porosity via charge balance.","Journal of the American Chemical Society","2001","123","","8022","8032","","","","","","","","","","","","","","","","","","","","","","has coordinates","172614","2020-10-21","18:00:00",""
"5000296","55.071","0.004","33.491","0.003","27.331","0.002","90","","114.966","","90","","45699","7","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C182 H193 Mn18 N7 O74 P12 -","- C191 H156 Mn18 N6 O74 P12 -","- C1528 H1248 Mn144 N48 O592 P96 -","8","1","","Colette Boskovic; Maren Pink; John C. Huffman; David N. Hendrickson; George Christou","Single-Molecule Magnets: Ligand-Induced Core Distortion and Multiple Jahn-Teller Isomerism in [Mn12O12(O2CMe)8(O2PPh2)8(H2O)4]","Journal of the American Chemical Society","2001","123","","9914","9915","10.1021/ja016341+","","","0.71073","MoKα","","","0.0777","","","","0.0801","","","","","","1.6418","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5000298","25.2075","0.0019","25.2075","0.0019","13.4133","0.0014","90","","90","","90","","8523.1","1.3","113","2","113","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C124 H136 Cl24 Mn12 O48 P8 -","- C124 H136 Cl24.008 Mn12 O48 P8 -","- C248 H272 Cl48.016 Mn24 O96 P16 -","2","0.25","","Boskovic, Colette; Pink, Maren; Huffman, John C.; Hendrickson, David N.; Christou, George","Single-Molecule Magnets: Ligand-Induced Core Distortion and Multiple Jahn‒Teller Isomerism in [Mn~12~O~12~(O~2~CMe)~8~(O~2~PPh~2~)~8~(H~2~O)~4~]","Journal of the American Chemical Society","2001","123","40","9914","9915","10.1021/ja016341+","","","0.71073","MoKα","","0.1153","0.0666","","","0.1925","0.218","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"5000396","22.8785","0.0005","12.4546","0.0003","25.6155","0.0005","90","","93.51","0.001","90","","7285.3","0.3","200","2","200","2","","","","","","","chemical synthesis","3","C 1 2/c 1","-C 2yc","15","","1,2,4-Tri(t-butyl)-5,6,7,8-tetraphenyl-9-oxo-1,4-dihydro-1,4-methanonaphthalene","","- C47 H48 O -","- C47 H48 O -","- C376 H384 O8 -","8","1","","Jiajia Zhang; Douglas M. Ho; Robert A. Pascal","Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone","Journal of the American Chemical Society","2001","123","","10919","10926","10.1021/ja011453m","","","0.71073","MoKα","","0.0856","0.0502","","0.1285","0.1122","","","","1.028","1.108","1.108","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000397","13.3467","0.0009","9.3553","0.0005","27.408","0.002","90","","102.452","0.002","90","","3341.7","0.4","200","2","200","2","","","","","","","chemical synthesis","3","P 1 21/n 1","-P 2yn","14","","4,6-Di(t-butyl)-1,2,3-triphenylfluoranthene","","- C43 H40 Cl2 -","- C42 H38 -","- C168 H152 -","4","1","","Jiajia Zhang; Douglas M. Ho; Robert A. Pascal","Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone","Journal of the American Chemical Society","2001","123","","10919","10926","10.1021/ja011453m","","","0.71073","MoKα","","0.1065","0.0575","","0.1543","0.1372","","","","0.969","1.144","1.144","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000398","10.1358","0.0009","16.5748","0.0014","22.172","0.002","76.86","0.004","82.762","0.004","75.525","0.004","3502.7","0.5","200","2","200","2","","","","","","","chemical synthesis","2","P -1","-P 1","2","","5,6,8-Tri(t-butyl)-1,2,3,4-tetraphenylnaphthalene","","- C46 H48 -","- C46 H48 -","- C184 H192 -","4","2","","Jiajia Zhang; Douglas M. Ho; Robert A. Pascal","Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone","Journal of the American Chemical Society","2001","123","","10919","10926","10.1021/ja011453m","","","0.71073","MoKα","","0.2174","0.0944","","0.1714","0.1331","","","","1.049","1.259","1.259","","","","","has coordinates","277867","2022-09-15","08:51:11",""