# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T08:50:58+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of the American Chemical Society') AND volume = 122 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
"1100178","7.842","0.001","12.127","0.001","12.973","0.001","65.76","0.01","86.43","0.01","81.31","0.01","1112.04","","","","223","","","","","","","","","4","P -1","-P 1","2","","3-(Diphenylmethyl)pent-2-yl 3,5-dinitrobenzoate","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C50 H48 N4 O12 -","2","1","","Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul","Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules","Journal of the American Chemical Society","2000","122","41","10218","10219","10.1021/ja001283y","","","","","","","4.44","","","4.44","","","","","","","","","","","has coordinates","176899","2020-10-21","18:00:00",""
"1100179","23.056","0.001","23.056","0.001","7.325","0.001","90","","90","","120","","3372.15","","","","223","","","","","","","","","3","R 3 :H","R 3","146","","3,4-Diphenylhexan-2-ol","","- C18 H22 O -","- C18 H22 O -","- C162 H198 O9 -","9","1","","Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul","Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules","Journal of the American Chemical Society","2000","122","41","10218","10219","10.1021/ja001283y","","","","","","","3.05","","","3.05","","","","","","","","","","","has coordinates","176899","2020-10-21","18:00:00",""
"1100180","22.864","0.001","22.864","0.001","7.229","0.001","90","","90","","120","","3272.75","","","","223","","","","","","","","","3","R 3 :H","R 3","146","","3,4-Diphenylpentan-2-ol","","- C17 H20 O -","- C17 H20 O -","- C153 H180 O9 -","9","1","","Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul","Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules","Journal of the American Chemical Society","2000","122","41","10218","10219","10.1021/ja001283y","","","","","","","4.89","","","4.89","","","","","","","","","","","has coordinates","176899","2020-10-21","18:00:00",""
"4115861","7.5278","0.0013","8.1269","0.0014","6.0546","0.0011","90","","90","","90","","370.41","0.11","107","2","107","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cu0.32 Dy Te2 -","- Cu0.316 Dy Te2 -","- Cu1.264 Dy4 Te8 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2","Journal of the American Chemical Society","2000","122","","80","86","10.1021/ja9919635","","","0.71073","MoKα","","0.0278","0.0229","","","0.0555","0.0574","","","","","","0.94","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115862","7.567","0.0015","8.211","0.0016","6.0893","0.0012","90","","90","","90","","378.34","0.13","107","2","107","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cu0.33 Gd Te2 -","- Cu0.328 Gd Te2 -","- Cu1.312 Gd4 Te8 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2","Journal of the American Chemical Society","2000","122","","80","86","10.1021/ja9919635","","","0.71073","MoKα","","0.033","0.023","","","0.0451","0.0487","","","","","","0.95","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115863","7.7063","0.0013","8.5882","0.0014","6.3115","0.001","90","","90","","90","","417.72","0.12","153","2","153","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cu0.4 La Te2 -","- Cu0.404 La Te2 -","- Cu1.616 La4 Te8 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2","Journal of the American Chemical Society","2000","122","","80","86","10.1021/ja9919635","","","0.71073","MoKα","","0.0299","0.0288","","","0.0745","0.075","","","","","","1.449","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115864","7.6349","0.0007","8.398","0.0008","6.1838","0.0006","90","","90","","90","","396.49","0.07","153","2","153","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cu0.37 Nd Te2 -","- Cu0.372 Nd Te2 -","- Cu1.488 Nd4 Te8 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2","Journal of the American Chemical Society","2000","122","","80","86","10.1021/ja9919635","","","0.71073","MoKα","","0.0208","0.0199","","","0.0484","0.0488","","","","","","1.215","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115865","7.6003","0.001","8.3085","0.0011","6.1412","0.0008","90","","90","","90","","387.8","0.09","153","2","153","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Cu0.34 Sm Te2 -","- Cu0.338 Sm Te2 -","- Cu1.352 Sm4 Te8 -","4","0.5","","Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers","Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2","Journal of the American Chemical Society","2000","122","","80","86","10.1021/ja9919635","","","0.71073","MoKα","","0.0258","0.0253","","","0.0684","0.0687","","","","","","1.341","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115866","18.4753","0.0002","24.7873","0.0005","13.8827","0.0003","90","","103.98","0.001","90","","6169.3","0.2","188","2","188","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu2(OH)(BPAN)](ClO4)3 (1).","","","- C24 H27 Cl3 Cu2 N6 O13 -","- C24 H25 Cl3 Cu2 N6 O13 -","- C192 H200 Cl24 Cu16 N48 O104 -","8","2","","Chuan He; Stephen J. Lippard","Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand","Journal of the American Chemical Society","2000","122","","184","185","10.1021/ja993125g","","","0.71073","MoKα","","0.0984","0.0541","","","0.1382","0.1594","","","","","","0.95","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115867","21.3905","0.0004","14.6381","0.0003","25.4813","0.0002","90","","90","","90","","7978.6","0.2","188","2","188","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Cu2(OH){(PhO)2PO2}(BPAN)](ClO4)2 (2).","","","- C36 H37 Cl2 Cu2 N6 O13 P -","- C36 H35 Cl2 Cu2 N6 O13 P -","- C288 H280 Cl16 Cu16 N48 O104 P8 -","8","1","","Chuan He; Stephen J. Lippard","Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand","Journal of the American Chemical Society","2000","122","","184","185","10.1021/ja993125g","","","0.71073","MoKα","","0.0828","0.0412","","","0.1114","0.1346","","","","","","0.859","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115868","20.6472","0.0005","13.1795","0.0002","28.9832","0.001","90","","91.723","0.001","90","","7883.3","0.4","188","2","188","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Ni2(OAc)2(BPAN)(CH3OH)](ClO4)2 (3'.CH3OH).","","","- C31 H44 Cl2 N6 Ni2 O15 -","- C31 H33 Cl2 N6 Ni2 O15 -","- C248 H264 Cl16 N48 Ni16 O120 -","8","1","","Chuan He; Stephen J. Lippard","Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand","Journal of the American Chemical Society","2000","122","","184","185","10.1021/ja993125g","","","0.71073","MoKα","","0.0726","0.0472","","","0.1463","0.1598","","","","","","1.105","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115869","24.6718","0.0002","11.072","0.0002","26.8327","0.0003","90","","109.207","0.001","90","","6921.78","0.16","188","2","188","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Co4(OH)4(BPAN)2](ClO4)4 (4.4CH3CN).","","","- C56 H68 Cl4 Co4 N16 O20 -","- C56 H52 Cl4 Co4 N16 O20 -","- C224 H208 Cl16 Co16 N64 O80 -","4","0.5","","Chuan He; Stephen J. Lippard","Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand","Journal of the American Chemical Society","2000","122","","184","185","10.1021/ja993125g","","","0.71073","MoKα","","0.0999","0.0602","","","0.159","0.1769","","","","","","1.107","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115870","14.6962","0.0006","14.7253","0.0007","20.2001","0.0009","90","","108.557","0.001","90","","4144.1","0.3","188","2","188","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Zn2(OH)(Ph2PO2)(BPAN)](ClO4)2 (5.H2O).","","","- C36 H39 Cl2 N6 O12 P Zn2 -","- C36 H29 Cl2 N6 O12 P Zn2 -","- C144 H116 Cl8 N24 O48 P4 Zn8 -","4","1","","Chuan He; Stephen J. Lippard","Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand","Journal of the American Chemical Society","2000","122","","184","185","10.1021/ja993125g","","","0.71073","MoKα","","0.1001","0.077","","","0.2141","0.2237","","","","","","1.65","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115871","13.755","0.007","13.79","0.006","11.26","0.006","97.82","0.04","104.17","0.04","75","0.03","1994.2","1.8","113.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H35 Mn O5 P2 Pt S -","- C36 H2 Mn O5 P2 Pt S -","- C72 H4 Mn2 O10 P4 Pt2 S2 -","2","1","","Sanshiro Komiya; Shin-ya Muroi; Masaki Furuya; Masafumi Hirano","Regio- and Stereoselective Insertion Reactions of Thiiranes into Pt-Mn (or Re) Bond in Organoplatinum-Manganese or -Rhenium Heterodinuclear Complexes as Intermediates toward Desulfurization Reaction","Journal of the American Chemical Society","2000","122","","170","171","10.1021/ja993185m","","","0.7107","MoKα","","","0.061","","","","0.0804","","","","","","2.918","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115872","16.12","0.01","16.238","0.007","12.232","0.003","102.01","0.02","91.19","0.04","88.27","0.06","3130","2","293.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 Mn O5 P2 Pt -","- C32 H27 Mn O5 P2 Pt -","- C128 H108 Mn4 O20 P8 Pt4 -","4","2","","Sanshiro Komiya; Shin-ya Muroi; Masaki Furuya; Masafumi Hirano","Regio- and Stereoselective Insertion Reactions of Thiiranes into Pt-Mn (or Re) Bond in Organoplatinum-Manganese or -Rhenium Heterodinuclear Complexes as Intermediates toward Desulfurization Reaction","Journal of the American Chemical Society","2000","122","","170","171","10.1021/ja993185m","","","0.7107","MoKα","","","0.044","","","","0.073","","","","","","1.205","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115873","13.09","0.06","14.23","0.07","10.79","0.05","106.7","0.4","103.9","0.4","84.8","0.4","1868","16","113.2","","113.2","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H38 Mn O5 P2 Pt S -","- C39 H36 Mn O5 P2 Pt S -","- C78 H72 Mn2 O10 P4 Pt2 S2 -","2","1","","Sanshiro Komiya; Shin-ya Muroi; Masaki Furuya; Masafumi Hirano","Regio- and Stereoselective Insertion Reactions of Thiiranes into Pt-Mn (or Re) Bond in Organoplatinum-Manganese or -Rhenium Heterodinuclear Complexes as Intermediates toward Desulfurization Reaction","Journal of the American Chemical Society","2000","122","","170","171","10.1021/ja993185m","","","0.7107","MoKα","","0.0789","0.0789","","","0.1075","0.1075","","","","","","1.78","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115874","12.624","0.0005","13.4087","0.0005","20.2605","0.0007","104.679","0.001","91.826","0.001","91.535","0.001","3313.7","0.2","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H64 F12 N6 O24 P4 Ru2 S6 -","- C33 H64 F12 N6 O24 P4 Ru2 S6 -","- C66 H128 F24 N12 O48 P8 Ru4 S12 -","2","1","","Md. Munkir Hossain; Yong-Shou Lin; Hiroyasu Sugiyama; Kazuko Matsumoto","Allylic C-H Bond Activation on a Sulfur Center of a Disulfide-Bridged Diruthenium Complex with Concomitant Formation of C-S Bonds","Journal of the American Chemical Society","2000","122","","172","173","10.1021/ja993402j","","","0.71073","MoKα","","0.0811","0.0536","","","0.144","0.1598","","","","","","0.99","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115875","19.43","0.006","22.858","0.007","16.741","0.004","99.99","0.02","93.68","0.02","104.92","0.02","7029","4","173.2","","","","","","","","","","","9","P -1","-P 1","2","","","","- C34 H69 Ag F24 N8 O12 P8 Ru2 S2 -","- C34 Ag F24 N8 O12 P8 Ru2 S2 -","- C136 Ag4 F96 N32 O48 P32 Ru8 S8 -","4","2","","Md. Munkir Hossain; Yong-Shou Lin; Hiroyasu Sugiyama; Kazuko Matsumoto","Allylic C-H Bond Activation on a Sulfur Center of a Disulfide-Bridged Diruthenium Complex with Concomitant Formation of C-S Bonds","Journal of the American Chemical Society","2000","122","","172","173","10.1021/ja993402j","","","0.7107","MoKα","","","0.0821","","","","0.104","","","","","","1.686","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115876","16.32","0.002","22.616","0.003","14.45","0.002","89.957","0.008","89.932","0.006","90.183","0.007","5333.4","1.2","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H72 B2 F8 N8 Ni2 O8 -","- C48 H48 B2 F8 N8 Ni2 O8 -","- C192 H192 B8 F32 N32 Ni8 O32 -","4","2","","Kazushi Shiren; Seiji Ogo; Shuhei Fujinami; Hideki Hayashi; Masatatsu Suzuki; Akira Uehara; Yoshihito Watanabe; Yoshihiko Moro-oka","Synthesis, Structures, and Properties of Bis(μ-oxo)nickel(III) and Bis(μ-superoxo)nickel(II) Complexes: An Unusual Conversion of a NiIII2(μ-O)2 Core into a NiII2(μ-OO)2 Core by H2O2 and Oxygenation of Ligand","Journal of the American Chemical Society","2000","122","","254","262","10.1021/ja990311d","","","0.7107","MoKα","","","0.115","","","0.1217","","","","","1.193","1.193","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115877","13.301","0.006","15.638","0.008","13.857","0.004","90","","104.17","0.02","90","","2795","2","157","","157","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 B2 F8 N8 Ni2 O10 -","- C48 H66 B2 F8 N8 Ni2 O10 -","- C96 H132 B4 F16 N16 Ni4 O20 -","2","0.5","","Kazushi Shiren; Seiji Ogo; Shuhei Fujinami; Hideki Hayashi; Masatatsu Suzuki; Akira Uehara; Yoshihito Watanabe; Yoshihiko Moro-oka","Synthesis, Structures, and Properties of Bis(μ-oxo)nickel(III) and Bis(μ-superoxo)nickel(II) Complexes: An Unusual Conversion of a NiIII2(μ-O)2 Core into a NiII2(μ-OO)2 Core by H2O2 and Oxygenation of Ligand","Journal of the American Chemical Society","2000","122","","254","262","10.1021/ja990311d","","","0.7107","MoKα","","","0.0836","","","0.1218","","","","","1.683","1.683","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115878","12.916","0.003","17.394","0.003","11.7","0.003","107.22","0.02","108.63","0.02","84.53","0.02","2379.2","1","157","","157","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H56 Cl2 N8 Ni2 O11 -","- C45 H56 Cl2 N8 Ni2 O11 -","- C90 H112 Cl4 N16 Ni4 O22 -","2","1","","Kazushi Shiren; Seiji Ogo; Shuhei Fujinami; Hideki Hayashi; Masatatsu Suzuki; Akira Uehara; Yoshihito Watanabe; Yoshihiko Moro-oka","Synthesis, Structures, and Properties of Bis(μ-oxo)nickel(III) and Bis(μ-superoxo)nickel(II) Complexes: An Unusual Conversion of a NiIII2(μ-O)2 Core into a NiII2(μ-OO)2 Core by H2O2 and Oxygenation of Ligand","Journal of the American Chemical Society","2000","122","","254","262","10.1021/ja990311d","","","0.7107","MoKα","","","0.0557","","","0.0955","","","","","1.654","1.654","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115879","23.0808","0.0002","25.9458","0.0009","13.4593","0.0005","90","","110.503","0.002","90","","7549.5","0.4","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Zn2DPD 2","","","- C79 H86 Cl2 N8 O3 Zn2 -","- C79 H86 Cl2 N8 O3 Zn2 -","- C316 H344 Cl8 N32 O12 Zn8 -","4","0.5","","Yongqi Deng; Christopher J. Chang; Daniel G. Nocera","Direct Observation of the ""Pac-Man"" Effect from Dibenzofuran-Bridged Cofacial Bisporphyrins","Journal of the American Chemical Society","2000","122","","410","411","10.1021/ja992955r","","","0.71073","MoKα","","0.1439","0.089","","","0.2391","0.2655","","","","","","1.124","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115880","13.896","0.002","15.476","0.003","33.44","0.007","90","","90","","90","","7191","2","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Fe2DPDO 3","","","- C81 H84 Cl3 Fe2 N8 O4 -","- C81 H84 Cl3 Fe2 N8 O4 -","- C324 H336 Cl12 Fe8 N32 O16 -","4","1","","Yongqi Deng; Christopher J. Chang; Daniel G. Nocera","Direct Observation of the ""Pac-Man"" Effect from Dibenzofuran-Bridged Cofacial Bisporphyrins","Journal of the American Chemical Society","2000","122","","410","411","10.1021/ja992955r","","","0.71073","MoKα","","0.0455","0.042","","","0.1091","0.118","","","","","","1.153","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115881","11.2396","0.0001","20.2835","0.0004","26.6935","0.0004","90","","94.643","0.001","90","","6065.57","0.16","200","1","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,3,5-tri-tert-butylbenzene)vanadium(1+) tetraphenylborate","","- C64 H84 B O V -","- C64 H84 B O V -","- C256 H336 B4 O4 V4 -","4","1","","Douglas C. Gordon; Laura Deakin; Atta M. Arif; Joel S. Miller","Identification of [MII(Arene)2]2+ (M = V, Cr) as the Key Intermediate in the Formation of V[TCNE]x.ySolvent Magnets and Cr[TCNE]x.Solvent","Journal of the American Chemical Society","2000","122","","290","299","10.1021/ja9929741","","","0.71069","MoKα","","0.0794","0.0638","","","0.175","0.1921","","","","","","1.063","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115882","11.0332","0.0003","18.3389","0.0005","22.7485","0.0007","90","","92.8691","0.0016","90","","4597.1","0.2","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,3,5-tri-tert-butylbenzene)vanadium(1+) tetracyanoethanide","","- C48 H72 N4 O1.5 V -","- C48 H72 N4 O1.5 V -","- C192 H288 N16 O6 V4 -","4","1","","Douglas C. Gordon; Laura Deakin; Atta M. Arif; Joel S. Miller","Identification of [MII(Arene)2]2+ (M = V, Cr) as the Key Intermediate in the Formation of V[TCNE]x.ySolvent Magnets and Cr[TCNE]x.Solvent","Journal of the American Chemical Society","2000","122","","290","299","10.1021/ja9929741","","","0.71073","MoKα","","0.1195","0.0733","","","0.1717","0.1992","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115883","10.1818","0.0014","31.962","0.003","9.4921","0.0008","90","","90","","90","","3089","0.6","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 N O4 Si -","- C32 H41 N O4 Si -","- C128 H164 N4 O16 Si4 -","4","1","","Katsuhiko Tomooka; Atsuo Nakazaki; Takeshi Nakai","A Novel Aryl Migration from Silicon to Carbon: An Efficient Approach to Asymmetric Synthesis of α-Aryl β-Hydroxy Cyclic Amines and Silanols","Journal of the American Chemical Society","2000","122","","408","409","10.1021/ja993295t","","","0.7107","MoKα","","0.0596","0.0527","","","0.1244","0.1285","","","","","","1.163","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115884","12.963","0.003","9.2062","0.0015","22.415","0.01","90","","102.65","0.04","90","","2610.1","1.4","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O4 Si -","- C26 H37 N O4 Si -","- C104 H148 N4 O16 Si4 -","4","1","","Katsuhiko Tomooka; Atsuo Nakazaki; Takeshi Nakai","A Novel Aryl Migration from Silicon to Carbon: An Efficient Approach to Asymmetric Synthesis of α-Aryl β-Hydroxy Cyclic Amines and Silanols","Journal of the American Chemical Society","2000","122","","408","409","10.1021/ja993295t","","","0.7107","MoKα","","0.0853","0.0758","","","0.1622","0.1673","","","","","","1.228","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115885","10.701","0.002","10.206","0.002","10.912","0.002","90","","101.978","0.004","90","","1165.8","0.4","213","2","213","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","Tetrakisacetatodiacetonitriledichromium(II)","","- C16 H24 Cr2 N4 O8 -","- C16 H24 Cr2 N4 O8 -","- C32 H48 Cr4 N8 O16 -","2","0.5","","F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo; Hong-Cai Zhou","After 155 Years, A Crystalline Chromium Carboxylate with a Supershort Cr-Cr Bond","Journal of the American Chemical Society","2000","122","","416","417","10.1021/ja993755i","","","0.71073","MoKα","","0.0695","0.0527","","0.1688","0.1458","","","","1.096","1.117","1.117","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115886","9.7448","0.0006","11.7879","0.0007","14.6524","0.0011","70.899","0.001","70.691","0.001","76.115","0.001","1484.52","0.17","110","2","110","2","","","","","","","synthesized","4","P -1","-P 1","2","none","Tetrakis(2,4,6-triisopropylbenzoicactato)dichromium(II)","","- C64 H92 Cr2 O8 -","- C64 H88 Cr2 O8 -","- C64 H88 Cr2 O8 -","1","0.5","","F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo; Hong-Cai Zhou","After 155 Years, A Crystalline Chromium Carboxylate with a Supershort Cr-Cr Bond","Journal of the American Chemical Society","2000","122","","416","417","10.1021/ja993755i","","","0.71073","MoKα","","0.0648","0.059","","0.1597","0.1519","","","","1.135","1.167","1.167","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115887","14.445","0.002","16.618","0.002","17.529","0.002","65.918","0.002","74.912","0.002","82.713","0.003","3708.1","0.8","213","2","213","2","","","","","","","synthesized","6","P -1","-P 1","2","","Cr2(TPB)4(CH3CN)2,1.5CH2Cl2","","- C69.5 H101 Cl3 Cr2 N2 O8 -","- C69.5 H13 Cl3 Cr2 N2 O8 -","- C139 H26 Cl6 Cr4 N4 O16 -","2","1","","F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo; Hong-Cai Zhou","After 155 Years, A Crystalline Chromium Carboxylate with a Supershort Cr-Cr Bond","Journal of the American Chemical Society","2000","122","","416","417","10.1021/ja993755i","","","0.71073","MoKα","","0.1191","0.0909","","0.3019","0.2656","","","","1.039","1.143","1.143","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115888","9.8985","0.0001","14.1558","0.0002","14.4381","0.0002","90.094","0.001","99.168","0.001","92.304","0.001","1995.56","0.04","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H35 Fe N3 O2 P2 S -","- C45 H35 Fe N3 O2 P2 S -","- C90 H70 Fe2 N6 O4 P4 S2 -","2","1","","Wen-Feng Liaw; Nan-Hung Lee; Chien-Hong Chen; Chien-Ming Lee; Gene-Hsiang Lee; Shie-Ming Peng","Dinuclear and Mononuclear Iron(II)-Thiolate Complexes with Mixed CO/CN-Ligands: Synthetic Advances for Iron Sites of [Fe]-Only Hydrogenases","Journal of the American Chemical Society","2000","122","","488","494","10.1021/ja992300q","","","0.71073","MoKα","","0.1219","0.0859","","0.1338","0.1237","","","","1.225","1.331","1.331","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115889","24.4494","0.0003","12.2321","0.0002","31.6646","0.0003","90","","96.737","0.001","90","","9404.5","0.2","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H45 Fe N6 O2 P2 S2 -","- C50 H45 Fe N6 O2 P2 S2 -","- C400 H360 Fe8 N48 O16 P16 S16 -","8","1","","Wen-Feng Liaw; Nan-Hung Lee; Chien-Hong Chen; Chien-Ming Lee; Gene-Hsiang Lee; Shie-Ming Peng","Dinuclear and Mononuclear Iron(II)-Thiolate Complexes with Mixed CO/CN-Ligands: Synthetic Advances for Iron Sites of [Fe]-Only Hydrogenases","Journal of the American Chemical Society","2000","122","","488","494","10.1021/ja992300q","","","0.71073","MoKα","","0.0857","0.0578","","0.1484","0.1323","","","","1.063","1.134","1.134","","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115890","10.8873","0.0015","17.574","0.002","24.673","0.004","90","","92.059","0.012","90","","4717.7","1.1","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C98 H86 Cl4 Fe2 N4 O4 P4 S4 -","- C98 H86 Cl4 Fe2 N4 O4 P4 S4 -","- C196 H172 Cl8 Fe4 N8 O8 P8 S8 -","2","0.5","","Wen-Feng Liaw; Nan-Hung Lee; Chien-Hong Chen; Chien-Ming Lee; Gene-Hsiang Lee; Shie-Ming Peng","Dinuclear and Mononuclear Iron(II)-Thiolate Complexes with Mixed CO/CN-Ligands: Synthetic Advances for Iron Sites of [Fe]-Only Hydrogenases","Journal of the American Chemical Society","2000","122","","488","494","10.1021/ja992300q","","","0.71073","MoKα","","0.1195","0.0698","","0.2546","0.2192","","","","1.096","1.236","1.236","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115891","13.8327","0.0003","18.5925","0.0002","22.4398","0.0006","90","","98.962","0.001","90","","5700.7","0.2","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H144 Cl2 N40 O50 S -","- C80 H84 Cl2 N40 O50 S -","- C160 H168 Cl4 N80 O100 S2 -","2","0.5","","Jaheon Kim; In-Sun Jung; Soo-Young Kim; Eunsung Lee; Jin-Koo Kang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim","New Cucurbituril Homologues: Syntheses, Isolation, Characterization, and X-ray Crystal Structures of Cucurbit[n]uril (n= 5, 7, and 8)","Journal of the American Chemical Society","2000","122","","540","541","10.1021/ja993376p","","","0.71073","MoKα","","0.1255","0.1023","","","0.2811","0.3113","","","","","","1.019","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115892","13.2314","0.0008","18.8133","0.0012","14.0361","0.0009","90","","90","","90","","3494","0.4","188","2","188","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C30 H38 N20 O14 -","- C30 H34 N20 O14 -","- C120 H136 N80 O56 -","4","0.5","","Jaheon Kim; In-Sun Jung; Soo-Young Kim; Eunsung Lee; Jin-Koo Kang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim","New Cucurbituril Homologues: Syntheses, Isolation, Characterization, and X-ray Crystal Structures of Cucurbit[n]uril (n= 5, 7, and 8)","Journal of the American Chemical Society","2000","122","","540","541","10.1021/ja993376p","","","0.71073","MoKα","","0.0729","0.0543","","","0.1188","0.1303","","","","","","1.11","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115893","12.8547","0.0002","20.1325","0.0002","31.6616","0.0001","90","","92.588","0.001","90","","8185.58","0.15","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H96 N28 O50 S4 -","- C46 H50 N28 O50 S4 -","- C184 H200 N112 O200 S16 -","4","1","","Jaheon Kim; In-Sun Jung; Soo-Young Kim; Eunsung Lee; Jin-Koo Kang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim","New Cucurbituril Homologues: Syntheses, Isolation, Characterization, and X-ray Crystal Structures of Cucurbit[n]uril (n= 5, 7, and 8)","Journal of the American Chemical Society","2000","122","","540","541","10.1021/ja993376p","","","0.71073","MoKα","","0.1495","0.1116","","","0.2859","0.3226","","","","","","1.076","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115894","28.3805","0.0004","28.3805","0.0004","22.0986","0.0002","90","","90","","90","","17799.4","0.4","188","2","188","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H112 N32 O54 S2 -","- C48 H48 N32 O53.6 S2 -","- C384 H384 N256 O428.8 S16 -","8","0.5","","Jaheon Kim; In-Sun Jung; Soo-Young Kim; Eunsung Lee; Jin-Koo Kang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim","New Cucurbituril Homologues: Syntheses, Isolation, Characterization, and X-ray Crystal Structures of Cucurbit[n]uril (n= 5, 7, and 8)","Journal of the American Chemical Society","2000","122","","540","541","10.1021/ja993376p","","","0.71073","MoKα","","0.112","0.1002","","","0.2747","0.2899","","","","","","1.042","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115895","13.355","0.003","13.465","0.003","13.642","0.004","90.67","0.019","104.65","0.02","117.435","0.018","2082.9","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","tetrabenzo-24-crown-8-bis(1,2-dichlorethane)cesium nitrate hydrate","","","- C36 H42 Cl4 Cs N O12 -","- C36 H40 Cl4 Cs N O12.01 -","- C72 H80 Cl8 Cs2 N2 O24.02 -","2","1","","Tatiana G. Levitskaia; Jeffrey C. Bryan; Richard A. Sachleben; John D. Lamb; Bruce A. Moyer","A Surprising Host-Guest Relationship between 1,2-Dichloroethane and the Cesium Complex of Tetrabenzo-24-crown-8","Journal of the American Chemical Society","2000","122","","554","562","10.1021/ja992760j","","","0.71073","MoKα","","0.076","0.061","","","0.171","0.182","","","","","","1.07","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115896","19.573","0.004","21.725","0.005","23.668","0.006","92.03","0.03","101.77","0.03","98.51","0.02","9722","4","293","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H135 Cl6 Mo6 N5 O16 -","- C67 Cl3 Mo6 N4.5 O16 -","- C268 Cl12 Mo24 N18 O64 -","4","2","","Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta","A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2-","Journal of the American Chemical Society","2000","122","","639","649","10.1021/ja9927974","","","0.71073","MoKα","","0.136","0.0965","","","0.1383","0.1507","","","","","","1.88","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115897","16.873","0.003","20.048","0.003","31.706","0.006","90","","90","","90","","10725","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H81 Mo6 N3 O18 -","- C36 H81 Mo6 N3 O18 -","- C288 H648 Mo48 N24 O144 -","8","1","","Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta","A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2-","Journal of the American Chemical Society","2000","122","","639","649","10.1021/ja9927974","","","0.71073","MoKα","","0.1542","0.0695","","0.095","0.0746","","","","1.193","1.29","1.29","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115898","59.94","0.04","15.486","0.013","28.99","0.02","90","","112.02","0.02","90","","24946","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H165 Cl4 Mo6 N7 O14 -","- C96 H165 Cl4 Mo6 N7 O14 -","- C768 H1320 Cl32 Mo48 N56 O112 -","8","1","","Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta","A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2-","Journal of the American Chemical Society","2000","122","","639","649","10.1021/ja9927974","","","0.71073","MoKα","","0.1818","0.117","","","0.3157","0.3839","","","","","","1.844","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115899","18.432","0.007","20.58","0.009","31.379","0.012","90","","90","","90","","11903","8","293","2","236","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H89 Mo6 N3 O18 -","- C44 H89 Mo6 N3 O18 -","- C352 H712 Mo48 N24 O144 -","8","1","","Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta","A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2-","Journal of the American Chemical Society","2000","122","","639","649","10.1021/ja9927974","","","0.71073","MoKα","","0.1491","0.078","","0.128","0.1056","","","","1.386","1.7","1.7","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115900","27.327","0.003","29.127","0.002","16.025","0.002","90","","90.56","0.01","90","","12755","2","298.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H147 Cl3 N36 O36 Zn6 -","- C75 H39 Cl3 N36 O36 Zn6 -","- C300 H156 Cl12 N144 O144 Zn24 -","4","1","","Shin Aoki; Motoo Shiro; Tohru Koike; Eiichi Kimura","Three-Dimensional Supermolecules Assembled from a Tris(Zn2±cyclen) Complex and Di- and Trianionic Cyanuric Acid in Aqueous Solution (Cyclen = 1,4,7,10-Tetraazacyclododecane)","Journal of the American Chemical Society","2000","122","","576","584","10.1021/ja993352i","","","0.7107","MoKα","","","0.091","","","","0.11","","","","","","1.783","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115901","23.43","0.004","23.43","0.004","23.43","0.004","90","","90","","90","","12862","4","298.2","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C144 H344 N72 O88 Zn12 -","- C120 N51.215 O38.25 Zn6 -","- C240 N102.43 O76.5 Zn12 -","2","0.0416667","","Shin Aoki; Motoo Shiro; Tohru Koike; Eiichi Kimura","Three-Dimensional Supermolecules Assembled from a Tris(Zn2±cyclen) Complex and Di- and Trianionic Cyanuric Acid in Aqueous Solution (Cyclen = 1,4,7,10-Tetraazacyclododecane)","Journal of the American Chemical Society","2000","122","","576","584","10.1021/ja993352i","","","0.7107","MoKα","","","0.0677","","","","0.0864","","","","","","1.617","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115902","18.729","0.004","11.758","0.002","12.061","0.002","90","","91.73","0.03","90","","2654.8","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Br2 N2 O -","- C30 H26 Br2 N2 O -","- C120 H104 Br8 N8 O4 -","4","1","","Hormuzd R. Mulla; Arthur Cammers-Goodwin","Stability of a Minimalist, Aromatic Cluster in Aqueous Mixtures of Fluoro Alcohol","Journal of the American Chemical Society","2000","122","","738","739","10.1021/ja993363b","","","0.71073","MoKα","","0.0607","0.043","","0.0982","0.09","","","","1.059","1.11","1.11","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115903","9.04","0.002","7.918","0.002","19.345","0.004","90","","92.17","0.03","90","","1383.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Br2 N2 O2 -","- C30 H30 Br2 N2 O2 -","- C60 H60 Br4 N4 O4 -","2","0.5","","Hormuzd R. Mulla; Arthur Cammers-Goodwin","Stability of a Minimalist, Aromatic Cluster in Aqueous Mixtures of Fluoro Alcohol","Journal of the American Chemical Society","2000","122","","738","739","10.1021/ja993363b","","","0.71073","MoKα","","0.0404","0.0331","","0.0794","0.0762","","","","1.03","1.065","1.065","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115904","9.628","0.002","10.144","0.004","17.6252","0.0019","81.719","0.018","84.37","0.04","68.62","0.03","1584.3","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H30 Cl4 N3 O4 P -","- C29 H30 Cl4 N3 O4 P -","- C58 H60 Cl8 N6 O8 P2 -","2","1","","Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy","Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus","Journal of the American Chemical Society","2000","122","","964","965","10.1021/ja992304v","","","0.71073","MoKα","","0.0418","0.0341","","","0.1013","0.1096","","","","","","1.11","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115905","11.326","0.006","12.984","0.004","15.124","0.008","105.69","0.05","110.74","0.05","94.71","0.05","1963","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H43 Cl4 O4 P -","- C42 H43 Cl4 O4 P -","- C84 H86 Cl8 O8 P2 -","2","1","","Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy","Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus","Journal of the American Chemical Society","2000","122","","964","965","10.1021/ja992304v","","","0.71073","MoKα","","0.0868","0.0509","","","0.1353","0.1604","","","","","","1.09","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4115906","11.656","0.006","12.354","0.009","13.738","0.004","82.49","0.03","79.47","0.03","85.56","0.05","1925.3","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.5 H38 Cl5 O4 P S -","- C38.5 H34 Cl5 O4 P S -","- C77 H68 Cl10 O8 P2 S2 -","2","1","","Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy","Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus","Journal of the American Chemical Society","2000","122","","964","965","10.1021/ja992304v","","","0.71073","MoKα","","0.106","0.0753","","","0.1828","0.2435","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115907","10.444","0.007","13.6216","0.0015","14.8438","0.0018","65.909","0.01","78.6","0.02","71.82","0.02","1825.5","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H41 Cl4 O4 P -","- C37 H41 Cl4 O4 P -","- C74 H82 Cl8 O8 P2 -","2","1","","Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy","Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus","Journal of the American Chemical Society","2000","122","","964","965","10.1021/ja992304v","","","0.71073","MoKα","","0.0738","0.0466","","","0.117","0.1346","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115908","10.841","0.002","13.382","0.003","15.039","0.003","64.55","0.03","84.89","0.03","70.72","0.03","1856","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H42 Cl4 N O4 P -","- C37 H42 Cl4 N O4 P -","- C74 H84 Cl8 N2 O8 P2 -","2","1","","Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy","Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus","Journal of the American Chemical Society","2000","122","","964","965","10.1021/ja992304v","","","0.71073","MoKα","","0.1542","0.0597","","","0.1523","0.2056","","","","","","1.067","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115909","12.205","0.003","26.86","0.003","14.048","0.003","90","","91.01","0.02","90","","4604.6","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H45 Cl4 N O4 P2 -","- C47 H45 Cl4 N O4 P2 -","- C188 H180 Cl16 N4 O16 P8 -","4","1","","Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy","Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus","Journal of the American Chemical Society","2000","122","","964","965","10.1021/ja992304v","","","0.71073","MoKα","","0.1645","0.0792","","","0.2158","0.2911","","","","","","1.04","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4115910","18.583","0.003","8.395","0.001","27.732","0.003","90","","107.69","0.01","90","","4121.7","1","203.2","","203.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H11 Cu F20 N4 O -","- C46 H11 Cu F20 N4 O -","- C184 H44 Cu4 F80 N16 O4 -","4","1","","Hiroyuki Furuta; Hiromitsu Maeda; Atsuhiro Osuka","Doubly N-Confused Porphyrin: A New Complexing Agent Capable of Stabilizing Higher Oxidation States","Journal of the American Chemical Society","2000","122","","803","807","10.1021/ja992679g","","","0.7107","MoKα","","0.0587","0.0587","","0.0919","","0.0919","","","1.299","","","1.299","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115911","18.685","0.003","8.528","0.003","27.886","0.004","90","","107","","90","","4249.4","1.8","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H14 F20 N4 O -","- C46 H14 F20 N4 O -","- C184 H56 F80 N16 O4 -","4","1","","Hiroyuki Furuta; Hiromitsu Maeda; Atsuhiro Osuka","Doubly N-Confused Porphyrin: A New Complexing Agent Capable of Stabilizing Higher Oxidation States","Journal of the American Chemical Society","2000","122","","803","807","10.1021/ja992679g","","","0.7107","MoKα","","0.062","0.062","","0.056","","0.056","","","1.834","","","1.83","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115912","18.734","0.003","8.324","0.001","27.674","0.003","90","","107.84","0.01","90","","4108","1","123.2","","123.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H11 Ag F20 N4 O -","- C46 H11 Ag F20 N4 O -","- C184 H44 Ag4 F80 N16 O4 -","4","1","","Hiroyuki Furuta; Hiromitsu Maeda; Atsuhiro Osuka","Doubly N-Confused Porphyrin: A New Complexing Agent Capable of Stabilizing Higher Oxidation States","Journal of the American Chemical Society","2000","122","","803","807","10.1021/ja992679g","","","0.7107","MoKα","","0.0706","0.071","","0.075","","0.075","","","1.613","","","1.61","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115913","24.797","0.006","8.594","0.002","5.6891","0.0009","90","","90","","90","","1212.4","0.4","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Sb7 Ti2.68 Zr4.32 -","- Sb7 Ti2.68 Zr4.32 -","- Sb28 Ti10.72 Zr17.28 -","4","0.25","","Holger Kleinke","Zr1-xTixSb: A Novel Antimonide on the Quasibinary Section ZrSb-TiSb with a Complex Crystal Structure Exhibiting Linear Sb Chains and Fragments of the TiSb Structure","Journal of the American Chemical Society","2000","122","","853","860","10.1021/ja993423d","","","0.71073","MoKα","","0.1149","0.0365","","0.0787","0.0679","","","","0.592","0.838","0.838","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115914","24.658","0.002","8.5431","0.0008","5.6754","0.0005","90","","90","","90","","1195.56","0.18","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Sb7 Ti3.34 Zr3.66 -","- Sb7 Ti3.332 Zr3.668 -","- Sb28 Ti13.328 Zr14.672 -","4","0.25","","Holger Kleinke","Zr1-xTixSb: A Novel Antimonide on the Quasibinary Section ZrSb-TiSb with a Complex Crystal Structure Exhibiting Linear Sb Chains and Fragments of the TiSb Structure","Journal of the American Chemical Society","2000","122","","853","860","10.1021/ja993423d","","","0.71073","MoKα","","0.0511","0.0293","","0.0569","0.055","","","","0.748","0.914","0.914","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115915","24.558","0.002","8.5206","0.0009","5.6669","0.0005","90","","90","","90","","1185.79","0.19","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Sb7 Ti3.84 Zr3.16 -","- Sb7 Ti3.848 Zr3.152 -","- Sb28 Ti15.392 Zr12.608 -","4","0.25","","Holger Kleinke","Zr1-xTixSb: A Novel Antimonide on the Quasibinary Section ZrSb-TiSb with a Complex Crystal Structure Exhibiting Linear Sb Chains and Fragments of the TiSb Structure","Journal of the American Chemical Society","2000","122","","853","860","10.1021/ja993423d","","","0.71073","MoKα","","0.0496","0.029","","0.06","0.0579","","","","0.769","0.932","0.932","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115916","12.375","0.0006","15.0495","0.0006","15.9682","0.0007","73.682","0.001","79.643","0.001","72.099","0.001","2701.7","0.2","203","2","203","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H56 S4 -","- C64 H56 S4 -","- C128 H112 S8 -","2","1","","Michael J. Marsella; In Tae Kim; Fook Tham","Toward Conjugated Double Helical Ladder Polymers: Cyclooctatetrathiophene as a Highly Versatile Double Helical Scaffold","Journal of the American Chemical Society","2000","122","","974","975","10.1021/ja9939340","","","0.71073","MoKα","","0.0669","0.0442","","","0.1153","0.1276","","","","","","1.042","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115917","9.641","0.001","10.608","0.001","10.587","0.001","90","","111.98","0.01","90","","1004.05","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H33 N2 P Si2 -","- C14 H33 N2 P Si2 -","- C28 H66 N4 P2 Si4 -","2","1","","Tsuyoshi Kato; Heinz Gornitzka; Antoine Baceiredo; Andreas Savin; Guy Bertrand","On the Electronic Structure of (Phosphino)(silyl)carbenes: Single-Crystal X-ray Diffraction and ELF Analyses","Journal of the American Chemical Society","2000","122","","998","999","10.1021/ja9939542","","","0.71073","MoKα","","0.063","0.0354","","","0.074","0.083","","","","","","0.935","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115918","11.507","0.007","12.917","0.002","13.209","0.005","67.93","0.05","87.42","0.04","84.94","0.06","1812.2","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H39 Cl4 N2 O4 P -","- C33 H36 Cl4 N2 O4 P -","- C66 H72 Cl8 N4 O8 P2 -","2","1","","Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy","Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus","Journal of the American Chemical Society","2000","122","","964","965","10.1021/ja992304v","","","0.71073","MoKα","","0.0621","0.0414","","","0.1222","0.1426","","","","","","1.108","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115919","19.3979","0.0004","19.3979","0.0004","11.3278","0.0003","90","","90","","90","","4262.41","0.17","125","","125","","","","","","","","","6","I 4","I 4","79","","","","- C44 H108 Cl8 N6 O33 V12 -","- C44 H108 Cl8 N6 O33 V12 -","- C88 H216 Cl16 N12 O66 V24 -","2","0.25","","N. Kawanami; T. Ozeki; A. Yagasaki","NO-Anion Trapped in a Molecular Oxide Bowl","Journal of the American Chemical Society","2000","122","","1239","1240","10.1021/ja993539+","","","0.71073","MoKα","","0.0325","0.0286","","","0.0745","0.0757","","","","","","1.084","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115920","9.1582","0.0018","10.905","0.002","14.564","0.005","103.8","0.02","100.23","0.02","105.08","0.013","1318.6","0.6","293","2","293","2","","","","","","","synthesis","5","P -1","-P 1","2","","Pentacarbonyl[3-dimethylamino-5-(2-furyl)-1,2-dimethoxycarbonyl-2,4- pentadien-1-yliden]chromium (0)","","- C20 H17 Cr N O10 -","- C21 H17 Cl3 Cr N O10 -","- C42 H34 Cl6 Cr2 N2 O20 -","2","1","","José Barluenga; Fernando Aznar; Ignacio Gutiérrez; Alfredo Martín; Santiago García-Granda; M. Amparo Llorca-Baragaño","First Stepwise Dötz Reaction: Isolation and Characterization of a Chelated Metallatriene Intermediate. Influence of Its Pattern of Substitution in Product Partition","Journal of the American Chemical Society","2000","122","","1314","1324","10.1021/ja991865j","","","0.71073","MoKα","","0.0998","0.0429","","","0.1102","0.1226","","","","","","1.287","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115921","12.408","0.002","12.505","0.003","17.771","0.004","103.19","0.03","91.56","0.03","104.95","0.03","2582.9","1.1","173","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H44 Cl4 N20 O23 Pt3 -","- C30 H29 Cl4 N20 O23 Pt3 -","- C60 H58 Cl8 N40 O46 Pt6 -","2","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71069","MoKα","","0.0875","0.0577","","","0.1423","0.153","","","","","","1.026","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115922","15.363","0.003","18.948","0.004","21.679","0.004","89.95","0.03","75.24","0.03","86","0.03","6087","2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H105 F48 N40 O22.5 P8 Pt6 -","- C60 H84 F48 N40 O22.5 P8 Pt6 -","- C120 H168 F96 N80 O45 P16 Pt12 -","2","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71069","MoKα","","0.125","0.0731","","0.2223","0.1872","","","","1.019","1.15","1.15","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115923","8.878","0.002","10.223","0.002","10.313","0.002","62.44","0.03","77.18","0.03","69.93","0.03","777.2","0.4","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 N8 O6 Pt -","- C10 H14 N8 O6 Pt -","- C20 H28 N16 O12 Pt2 -","2","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71069","MoKα","","0.0462","0.0313","","0.1496","0.0727","","","","1.033","1.062","1.062","","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115924","16.992","0.003","23.817","0.005","21.944","0.004","90","","95.19","0.03","90","","8844","3","126","2","126","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H74 F30 N31 O25 P5 Pt6 -","- C36 H66 F30 N31 O25 P5 Pt6 -","- C144 H264 F120 N124 O100 P20 Pt24 -","4","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71073","MoKα","","0.1168","0.0774","","0.2338","0.2063","","","","1.059","1.224","1.224","","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115925","16.977","0.003","22.705","0.005","22.734","0.005","90","","93.74","0.03","90","","8744","3","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H76 F48 N28 O17 P8 Pd6 -","- C36 H66 F48 N28 O17 P8 Pd6 -","- C144 H264 F192 N112 O68 P32 Pd24 -","4","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71069","MoKα","","0.1095","0.0506","","0.1341","0.1115","","","","0.898","1.119","1.119","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115926","16.92","0.003","24.099","0.005","22.146","0.004","90","","95.18","0.03","90","","8993","3","143","2","143","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H85.5 F30 N31 O30.75 P5 Pd3 Pt3 -","- C36 H58 F30 N31 O30.75 P5 Pd3 Pt3 -","- C144 H232 F120 N124 O123 P20 Pd12 Pt12 -","4","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71069","MoKα","","0.1161","0.0937","","0.2583","0.2266","","","","1.112","1.209","1.209","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115927","14.936","0.003","13.216","0.003","31.407","0.006","90","","95.43","0.03","90","","6172","2","114","2","114","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C30 H57.5 Ag F12 N23 O22.75 P2 Pt3 -","- C30 H42 Ag F12 N23 O22.75 P2 Pt3 -","- C120 H168 Ag4 F48 N92 O91 P8 Pt12 -","4","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71073","MoKα","","0.1058","0.0528","","0.1702","0.1276","","","","0.94","1.121","1.121","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115928","15.03","0.003","22.002","0.004","20.016","0.004","90","","99.04","0.03","90","","6537","2","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H64 Ag2 N26 O35 Pt3 -","- C30 H36 Ag2 N26 O35 Pt3 -","- C120 H144 Ag8 N104 O140 Pt12 -","4","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71069","MoKα","","0.1235","0.0801","","0.2513","0.2023","","","","1.016","1.118","1.118","","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115929","7.418","0.001","11.056","0.002","12.63","0.002","87.225","0.004","74.044","0.003","85.097","0.003","991.9","0.3","163","2","163","2","","","","","","","","6","P -1","-P 1","2","[(N-(phosphonomethyl)-aza-18-crown-6*H2O))2*ClO4]","","","- C26 H61 Cl N2 O22 P2 -","- C26 H61 Cl N2 O22 P2 -","- C26 H61 Cl N2 O22 P2 -","1","0.5","","C. V. Krishnamohan Sharma; Abraham Clearfield","""Macrocyclic Leaflets""","Journal of the American Chemical Society","2000","122","","1558","1559","10.1021/ja9938377","","","0.71073","MoKα","","0.0567","0.0498","","","0.1322","0.1395","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115930","17.136","0.002","20.818","0.003","20.858","0.003","90","","104.937","0.002","90","","7189.4","1.7","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cd4(N-(phosphonomethyl)-aza-18-crown-6*H2O))3*(H2O)5(NO3)4][NO3]","","","- C39 H97 Cd4 N8 O47 P3 -","- C39 H81 Cd4 N8 O47 P3 -","- C156 H324 Cd16 N32 O188 P12 -","4","1","","C. V. Krishnamohan Sharma; Abraham Clearfield","""Macrocyclic Leaflets""","Journal of the American Chemical Society","2000","122","","1558","1559","10.1021/ja9938377","","","0.71073","MoKα","","0.3459","0.0687","","","0.1335","0.1982","","","","","","0.719","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115931","13.982","0.005","18.416","0.004","22.753","0.004","90","","100.19","0.02","90","","5766","3","294.2","","294.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H57 Cl3 Mo N3 O P4 -","- C60 H57 Cl3 Mo N3 O P4 -","- C240 H228 Cl12 Mo4 N12 O4 P16 -","4","1","","Yoshiaki Tanabe; Hidetake Seino; Youichi Ishii; Masanobu Hidai","Reaction Mechanism of the C\τbN Triple Bond Cleavage of β-Ketonitriles on a Molybdenum(0) Center1","Journal of the American Chemical Society","2000","122","","1690","1699","10.1021/ja9921928","","","0.7107","MoKα","","0.0516","0.0516","","","0.035","0.035","","","","","","1.632","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115932","9.8581","0.0009","13.628","0.002","25.851","0.003","102.97","0.01","96.791","0.009","104.099","0.009","3227","0.7","294.2","","294.2","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H76 Mo N2 O2 P4 -","- C72 H67 Mo N2 O2 P4 -","- C144 H134 Mo2 N4 O4 P8 -","2","1","","Yoshiaki Tanabe; Hidetake Seino; Youichi Ishii; Masanobu Hidai","Reaction Mechanism of the C\τbN Triple Bond Cleavage of β-Ketonitriles on a Molybdenum(0) Center1","Journal of the American Chemical Society","2000","122","","1690","1699","10.1021/ja9921928","","","0.7107","MoKα","","0.063","0.063","","","0.0411","0.0411","","","","","","1.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115933","14.983","0.002","15.11","0.003","16.682","0.003","107.7","0.02","102.01","0.01","96.98","0.02","3449.3","1.2","294.2","","294.2","","","","","","","","","9","P -1","-P 1","2","","","","- C71 H61 Cl2 F3 Mo N2 O5 P4 S -","- C71 H61 Cl2 F3 Mo N2 O5 P4 S -","- C142 H122 Cl4 F6 Mo2 N4 O10 P8 S2 -","2","1","","Yoshiaki Tanabe; Hidetake Seino; Youichi Ishii; Masanobu Hidai","Reaction Mechanism of the C\τbN Triple Bond Cleavage of β-Ketonitriles on a Molybdenum(0) Center1","Journal of the American Chemical Society","2000","122","","1690","1699","10.1021/ja9921928","","","0.7107","MoKα","","0.0689","0.0689","","","0.0557","0.0557","","","","","","2.407","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115934","12.22","0.001","12.22","","28.927","0.003","90","","90","","120","","3740.9","0.5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","(K-crypt)2Bi2","","- C36 H72 Bi2 K2 N4 O12 -","- C36 H72 Bi2 K2 N4 O12 -","- C108 H216 Bi6 K6 N12 O36 -","3","0.166667","","Li Xu; Svilen Bobev; Jaouad El-Bahraoui; Slavi C. Sevov","A Naked Diatomic Molecule of Bismuth, [Bi2]2-, with a Short Bi-Bi Bond: Synthesis and Structure","Journal of the American Chemical Society","2000","122","","1838","1839","10.1021/ja992422i","","","0.71073","MoKα","","0.0341","0.0283","","","0.0682","0.0712","","","","","","1.077","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115935","10.224","0.002","10.476","0.003","10.024","0.003","116.84","0.02","93.15","0.02","83.69","0.02","952.2","0.5","298","","","","","","","","","","","4","P 1","P 1","1","","","","- C45 H47 N O5 -","- C45 H47 N O5 -","- C45 H47 N O5 -","1","1","","Hiroyuki Hosomi; Shigeru Ohba; Koichi Tanaka; Fumio Toda","The First in Situ Observation of Intramolecular Rotation and Cyclization of Anilide by an X-ray Study: Partial Single-Crystal to Single-Crystal Photocyclization of N-Methyl-N-{(E)-methylmethacryloyl}anilide in Inclusion Crystals","Journal of the American Chemical Society","2000","122","","1818","1819","10.1021/ja992437g","","","0.71073","MoKα","","","0.068","","","","0.172","","","","","","1.7","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115936","10.283","0.001","10.295","0.001","10.141","0.001","118.29","0.01","92.79","0.01","84","0.01","940.16","0.18","300","","","","","","","","","","","4","P 1","P 1","1","","","","- C45 H47 N O5 -","- C45 H47 N O5 -","- C45 H47 N O5 -","1","1","","Hiroyuki Hosomi; Shigeru Ohba; Koichi Tanaka; Fumio Toda","The First in Situ Observation of Intramolecular Rotation and Cyclization of Anilide by an X-ray Study: Partial Single-Crystal to Single-Crystal Photocyclization of N-Methyl-N-{(E)-methylmethacryloyl}anilide in Inclusion Crystals","Journal of the American Chemical Society","2000","122","","1818","1819","10.1021/ja992437g","","","0.71073","MoKα","","","0.056","","","","0.092","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115937","6.2674","0.0012","24.787","0.005","11.381","0.002","90","","103.639","0.003","90","","1718.2","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8,8,9,9,10,10-hexafluoro-trans-1,2,4,14-tetramethyl-3,15-dithiatetracyclo[10 .3. pentadeca-4,6(7),11(12),13-tetraene 3-(2-(2,5-dimethyl(3-thienyl))-3,3,4,4,5,5-hexafluorocyclopent-1-enyl)-2,5-d imethylthiophene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","1","","Taro Yamada; Seiya Kobatake; Keishi Muto; Masahiro Irie","X-ray Crystallographic Study on Single-Crystalline Photochromism of Bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene","Journal of the American Chemical Society","2000","122","","1589","1592","10.1021/ja993289x","","","0.71073","MoKα","","0.0647","0.0433","","","0.1028","0.1106","","","","","","1.093","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115938","6.2192","0.0009","24.52","0.004","11.3026","0.0016","90","","103.667","0.003","90","","1674.8","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8,8,9,9,10,10-hexafluoro-trans-1,2,4,14-tetramethyl-3,15-dithiatetracyclo[10 .3.0 pentadeca-4,6(7),11(12),13-tetraene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","1","","Taro Yamada; Seiya Kobatake; Keishi Muto; Masahiro Irie","X-ray Crystallographic Study on Single-Crystalline Photochromism of Bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene","Journal of the American Chemical Society","2000","122","","1589","1592","10.1021/ja993289x","","","0.71073","MoKα","","0.0516","0.0395","","","0.0976","0.1022","","","","","","1.046","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115939","24.861","0.01","12.129","0.003","12.258","0.006","90","","117.482","0.019","90","","3279","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H46 N4 O4 -","- C35 H46 N4 O4 -","- C140 H184 N16 O16 -","4","0.5","","Natia L. Frank; Rodolphe Clérac; Jean-Pascal Sutter; Nathalie Daro; Olivier Kahn; Claude Coulon; Michael T. Green; Stéphane Golhen; Lahcène Ouahab","Synthesis, Crystal Structure, Magnetic, and Electron Paramagnetic Resonance Properties of a Spiroconjugated Biradical. Evidence for Spiroconjugation Exchange Pathway","Journal of the American Chemical Society","2000","122","","2053","2061","10.1021/ja993071a","","","0.71073","MoKα","","0.2025","0.0612","","","0.1232","0.1628","","","","","","0.988","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115940","10.6091","0.0003","16.4474","0.0007","10.6701","0.0004","90","","116.877","0.002","90","","1660.73","0.11","203.2","","203.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H44 Li N O3 Si -","- C36 H44 Li N O3 Si -","- C72 H88 Li2 N2 O6 Si2 -","2","1","","Atsushi Kawachi; Kohei Tamao","Structures of [(Amino)phenylsilyl]lithiums and Related Compounds in Solution and in the Solid State","Journal of the American Chemical Society","2000","122","","1919","1926","10.1021/ja993101+","","","0.7107","MoKα","","","0.0556","","","0.0802","","","","","1.209","1.209","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115941","9.562","0.003","20.869","0.003","10.136","0.002","90","","104.42","0.02","90","","1958.9","0.8","293.2","","293.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F N Si -","- C24 H20 F N Si -","- C96 H80 F4 N4 Si4 -","4","1","","Atsushi Kawachi; Kohei Tamao","Structures of [(Amino)phenylsilyl]lithiums and Related Compounds in Solution and in the Solid State","Journal of the American Chemical Society","2000","122","","1919","1926","10.1021/ja993101+","","","1.5418","CuKα","","0","0","","","0","0.058","","","","","","1.84","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115942","10.413","0.002","12.8154","0.0007","9.74","0.002","97.081","0.01","92.01","0.02","86.315","0.008","1286.7","0.4","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N Si Sn -","- C27 N Si Sn -","- C54 N2 Si2 Sn2 -","2","1","","Atsushi Kawachi; Kohei Tamao","Structures of [(Amino)phenylsilyl]lithiums and Related Compounds in Solution and in the Solid State","Journal of the American Chemical Society","2000","122","","1919","1926","10.1021/ja993101+","","","1.5418","CuKα","","0.0421","0.0421","","","0.0697","0.0697","","","","","","1.547","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115943","9.4557","0.0005","20.739","0.001","10.0569","0.0006","90","","103.887","0.003","90","","1914.53","0.18","203.2","","203.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N Si -","- C24 H N Si -","- C96 H4 N4 Si4 -","4","1","","Atsushi Kawachi; Kohei Tamao","Structures of [(Amino)phenylsilyl]lithiums and Related Compounds in Solution and in the Solid State","Journal of the American Chemical Society","2000","122","","1919","1926","10.1021/ja993101+","","","0.7107","MoKα","","0.0617","0.0617","","","0.0908","0.0908","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115944","4.319","0.007","12.198","0.008","15.287","0.007","90","","94.6","0.1","90","","802.8","1.5","193.2","","193.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O4 Te2 -","- C16 H14 O4 Te2 -","- C32 H28 O8 Te4 -","2","0.5","","Osamu Niyomura; Shinzi Kato; Satoshi Inagaki","An Unusual Planar Diacyl Ditelluride (2-MeOC6H4COTe)2: The Origin of Its Planarity","Journal of the American Chemical Society","2000","122","","2132","2133","10.1021/ja993120j","","","0.7107","MoKα","","0.0631","0.0631","","","0.0767","0.0767","","","","","","3.941","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115945","21.786","0.004","15.756","0.002","8.818","0.003","90","","90","","90","","3026.9","1.2","193.2","","193.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 S2 -","- C16 H14 O4 S2 -","- C128 H112 O32 S16 -","8","1","","Osamu Niyomura; Shinzi Kato; Satoshi Inagaki","An Unusual Planar Diacyl Ditelluride (2-MeOC6H4COTe)2: The Origin of Its Planarity","Journal of the American Chemical Society","2000","122","","2132","2133","10.1021/ja993120j","","","0.7107","MoKα","","0.0492","0.0492","","","0.0506","0.0506","","","","","","1.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115946","8.2734","0.0007","26.44","0.003","8.1081","0.0006","92.194","0.009","115.366","0.006","85.14","0.009","1596.9","0.3","193.2","","193.2","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 O4 Se2 -","- C16 H14 O4 Se2 -","- C64 H56 O16 Se8 -","4","2","","Osamu Niyomura; Shinzi Kato; Satoshi Inagaki","An Unusual Planar Diacyl Ditelluride (2-MeOC6H4COTe)2: The Origin of Its Planarity","Journal of the American Chemical Society","2000","122","","2132","2133","10.1021/ja993120j","","","0.7107","MoKα","","0.0333","0.0333","","","0.0332","0.0331","","","","","","1.377","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115947","14.3274","0.0007","14.8789","0.0008","17.3698","0.0009","75.701","0.003","85.431","0.003","68.56","0.003","3339.6","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H45 B Cl3 F24 Fe3 N Si -","- C68 H45 B Cl3 F24 Fe3 N Si -","- C136 H90 B2 Cl6 F48 Fe6 N2 Si2 -","2","1","","Mark J. MacLachlan; Sara C. Bourke; Alan J. Lough; Ian Manners","Ring-Opening Protonolysis of Strained Silicon-Containing Rings: A New Approach to Ions with Silylium Character","Journal of the American Chemical Society","2000","122","","2126","2127","10.1021/ja993602v","","","0.71073","MoKα","","0.0893","0.0595","","0.1623","0.142","","","","1.017","1.082","1.082","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115948","6.8294","0.0004","13.6781","0.0009","17.5898","0.0012","90","","90.666","0.001","90","","1643.01","0.18","173","2","173","2","","","","","","","Prof. P. Kaszynski - Vanderbilt University","4","P 1 21/n 1","-P 2yn","14","99003a","","","- C17 H17 N5 S -","- C17 H17 N5 S -","- C68 H68 N20 S4 -","4","1","","Piotr Kaszynski; Victor G. Young","Nucleophile-Induced Intramolecular Dipole 1,5-Transfer and 1,6-Cyclization: Experimental and ab Initio Studies of Formation, Thermolysis, and Molecular and Electronic Structures of 3,6-Diphenyl-1-propanesulfenimido-1,2,4,5-tetrazine","Journal of the American Chemical Society","2000","122","","2087","2095","10.1021/ja993884z","","","0.71073","MoKα","","0.0498","0.0323","","0.0819","0.0775","","","","1.031","1.14","1.14","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115949","10.013","0.005","19.02","0.01","15.34","0.01","90","","106.32","0.03","90","","2804","3","135.2","","135.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C65 H70 Ga Li O10 -","- C65 H68 Ga Li O10 -","- C130 H136 Ga2 Li2 O20 -","2","1","","Shigeki Matsunaga; Jagattaran Das; Jochen Roels; Erasmus M. Vogl; Noriyoshi Yamamoto; Takehiko Iida; Kentaro Yamaguchi; Masakatsu Shibasaki","Catalytic Enantioselectivemeso-Epoxide Ring Opening Reaction with Phenolic Oxygen Nucleophile Promoted by Gallium Heterobimetallic Multifunctional Complexes","Journal of the American Chemical Society","2000","122","","2252","2260","10.1021/ja993650f","","","0.7107","MoKα","","0.0665","0.0665","","","0.0771","0.077","","","","","","2.842","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115950","11.325","0.001","20.915","0.002","19.786","0.001","90","","92.951","0.006","90","","4680.3","0.7","300","2","300","2","","","","","","","synthesis","7","P 1 21/n 1","-P 2yn","14","","","","- C41.125 H34.25 B Cl4.25 Co3 F4 N12 -","- C41.13 H32.26 B Cl4.26 Co3 F4 N12 -","- C164.52 H129.04 B4 Cl17.04 Co12 F16 N48 -","4","1","","Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang","A New Linear Tricobalt Compound with Di(2-pyridyl)amide (dpa) Ligands: Two-Step Spin Crossover of [Co3(dpa)4Cl2][BF4]","Journal of the American Chemical Society","2000","122","","2272","2278","10.1021/ja994051b","","","0.71073","MoKα","","0.0846","0.0666","","0.1715","0.1541","","","","1.054","1.093","1.093","","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115951","11.3249","0.0007","20.759","0.001","19.422","0.001","90","","93.061","0.001","90","","4559.5","0.4","100","2","113","2","","","","","","","synthesis","7","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H35 B Cl5 Co3 F4 N12 -","- C41.5 H32 B Cl5 Co3 F4 N12 -","- C166 H128 B4 Cl20 Co12 F16 N48 -","4","1","","Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang","A New Linear Tricobalt Compound with Di(2-pyridyl)amide (dpa) Ligands: Two-Step Spin Crossover of [Co3(dpa)4Cl2][BF4]","Journal of the American Chemical Society","2000","122","","2272","2278","10.1021/ja994051b","","","0.71073","MoKα","","0.0828","0.0609","","0.1484","0.1337","","","","1.107","1.248","1.248","","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4115952","11.3999","0.0007","20.913","0.001","19.752","0.001","90","","92.954","0.003","90","","4702.7","0.4","213","2","213","2","","","","","","","synthesis","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 B Cl6 Co3 F4 N12 -","- C42 H32 B Cl6 Co3 F4 N12 -","- C168 H128 B4 Cl24 Co12 F16 N48 -","4","1","","Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang","A New Linear Tricobalt Compound with Di(2-pyridyl)amide (dpa) Ligands: Two-Step Spin Crossover of [Co3(dpa)4Cl2][BF4]","Journal of the American Chemical Society","2000","122","","2272","2278","10.1021/ja994051b","","","0.71073","MoKα","","0.0695","0.0573","","0.1443","0.1317","","","","1.067","1.076","1.076","","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115953","8.358","0.002","17.716","0.003","20.249","0.003","90","","98.83","0.02","90","","2962.7","1","298.2","","298.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F12 Mn N3 O5 -","- C24 H18 F12 Mn N3 O5 -","- C96 H72 F48 Mn4 N12 O20 -","4","1","","Tetsuji Itoh; Kenji Matsuda; Hiizu Iwamura; Kenzi Hori","Tris[p-(N-oxyl-N-tert-butylamino)phenyl]amine, -methyl, and -borane Have Doublet, Triplet, and Doublet Ground States, Respectively","Journal of the American Chemical Society","2000","122","","2567","2576","10.1021/ja9920819","","","1.5418","CuKα","","0.0741","0.0741","","","0.0759","0.0759","","","","","","2.79","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115954","18.4189","0.001","18.4189","0.001","16.2309","0.0009","90","","90","","120","","4768.7","0.5","105","1","105","1","","","","","","","see text","7","P 3","P 3","143","","Λ‒Tris(2,2'-bibpyridyl)ruthenium(II)Δ‒Tris(2,2'-bibpyridyl)osmium(II) Tetra(hexafluorophosphate)","","- C180 H144 F72 N36 Os3 P12 Ru3 -","- C180 H144 F72 N36 Os3 P12 Ru3 -","- C180 H144 F72 N36 Os3 P12 Ru3 -","1","0.333333","","Josef Breu; Cornelius Kratzer; Hartmut Yersin","Crystal Engineering as a Tool for Directed Radiationless Energy Transfer in Layered {Λ-[Ru(bpy)3]Δ-[Os(bpy)3]}(PF6)4","Journal of the American Chemical Society","2000","122","","2548","2555","10.1021/ja993104m","","","0.71069","MoKα","","0.0299","0.0243","","","0.0503","0.0513","","","","","","0.947","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115955","10.7012","0.0005","10.7012","0.0005","16.349","0.001","90","","90","","120","","1621.39","0.15","203","","203","2","","","","","","","see text","7","P 3 2 1","P 3 2""","150","","Λambda‒Tris(2,2'-bibpyridyl)ruthenium(II) Δelta‒Tris(2,2'-bibpyridyl)osmium(II) Tetra(hexafluorophosphate)","","- C60 H48 F24 N12 Os P4 Ru -","- C60 H48 F24 N12 Os P4 Ru -","- C60 H48 F24 N12 Os P4 Ru -","1","0.166667","","Josef Breu; Cornelius Kratzer; Hartmut Yersin","Crystal Engineering as a Tool for Directed Radiationless Energy Transfer in Layered {Λ-[Ru(bpy)3]Δ-[Os(bpy)3]}(PF6)4","Journal of the American Chemical Society","2000","122","","2548","2555","10.1021/ja993104m","","","0.71069","MoKα","","0.0313","0.0252","","","0.047","0.048","","","","","","0.862","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115956","19.579","0.003","20.88","0.004","40.705","0.008","90","","103.673","0.009","90","","16169","5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C120 H124 N48 O36 Pd6 -","- C175 H124 N40 O12 Pd6 -","- C700 H496 N160 O48 Pd24 -","4","1","","Shu-Yan Yu; Takahiro Kusukawa; Kumar Biradha; Makoto Fujita","Hydrophobic Assembling of a Coordination Nanobowl into a Dimeric Capsule Which Can Accommodate up to Six Large Organic Molecules","Journal of the American Chemical Society","2000","122","","2665","2666","10.1021/ja994014k","","","0.71073","MoKα","","0.3558","0.1127","","","0.2368","0.3239","","","","","","1.025","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115957","20.182","0.007","36.508","0.013","25.441","0.009","90","","100.079","0.007","90","","18456","11","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H132 N48 O36 Pd6 -","- C175 H132 N38 O6 Pd6 -","- C700 H528 N152 O24 Pd24 -","4","1","","Shu-Yan Yu; Takahiro Kusukawa; Kumar Biradha; Makoto Fujita","Hydrophobic Assembling of a Coordination Nanobowl into a Dimeric Capsule Which Can Accommodate up to Six Large Organic Molecules","Journal of the American Chemical Society","2000","122","","2665","2666","10.1021/ja994014k","","","0.71073","MoKα","","0.2554","0.1471","","","0.322","0.3508","","","","","","1.558","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115958","21.048","0.011","21.23","0.011","24.507","0.012","83.098","0.011","73.547","0.011","74.541","0.011","10111","9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H124 N48 O36 Pd6 -","- C157 N39 O19 Pd6 -","- C314 N78 O38 Pd12 -","2","1","","Shu-Yan Yu; Takahiro Kusukawa; Kumar Biradha; Makoto Fujita","Hydrophobic Assembling of a Coordination Nanobowl into a Dimeric Capsule Which Can Accommodate up to Six Large Organic Molecules","Journal of the American Chemical Society","2000","122","","2665","2666","10.1021/ja994014k","","","0.71073","MoKα","","0.2747","0.118","","","0.3124","0.3513","","","","","","1.374","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115959","9.7438","0.0003","16.3262","0.0006","12.3331","0.0004","90","","97.117","0.001","90","","1946.82","0.11","173","2","173","2","","","","","","","synthetic","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H32 Co2 N6 O16 Re6 S8 -","- C6 Co2 N6 O16 Re6 S8 -","- C12 Co4 N12 O32 Re12 S16 -","2","0.5","","Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Cyano-Bridged Re~6~Q~8~ (Q = S, Se) Cluster-Cobalt(II) Framework Materials: Versatile Solid Chemical Sensors","Journal of the American Chemical Society","2000","122","","2763","2772","10.1021/ja994186h","","","0.71073","MoKα","","0.0433","0.0267","","0.0544","0.0514","","","","0.993","1.062","1.062","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115960","26.546","0.0011","27.3516","0.0009","18.2899","0.0008","90","","91.178","0.002","90","","13277","0.9","293","2","293","2","","","","","","","synthetic","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H120 Co6 N18 O60 Re18 Se24 -","- C18 Co6 N18 O60 Re18 Se24 -","- C72 Co24 N72 O240 Re72 Se96 -","4","0.5","","Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Cyano-Bridged Re~6~Q~8~ (Q = S, Se) Cluster-Cobalt(II) Framework Materials: Versatile Solid Chemical Sensors","Journal of the American Chemical Society","2000","122","","2763","2772","10.1021/ja994186h","","","0.71073","MoKα","","0.1746","0.0731","","0.1587","0.1237","","","","0.998","1.13","1.13","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115961","6.4383","0.001","10.498","0.002","19.571","0.003","90","","90","","90","","1322.8","0.4","150","","150","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Cl2 O3 P -","- C11 H13 Cl2 O3 P -","- C44 H52 Cl8 O12 P4 -","4","1","","Ron Hulst; Johanna M. Visser; Robert W. J. Zijlstra; Huub Kooijman; Wilberth Smeets; Anthony L. Spek; Ben L. Feringa","Formation of Diphosphates. A NMR Study on the Mechanism and Stereochemistry of Diphosphate Formation from Chiral Dioxaphosphorinanes","Journal of the American Chemical Society","2000","122","","3135","3150","10.1021/ja992770k","","","0.71073","MoKα","","0.0241","0.0228","","","0.0582","0.059","","","","","","1.059","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115962","6.4799","0.001","17.165","0.002","17.189","0.002","90","","90","","90","","1911.9","0.4","295","","295","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 O4 P -","- C20 H25 O4 P -","- C80 H100 O16 P4 -","4","1","","Ron Hulst; Johanna M. Visser; Robert W. J. Zijlstra; Huub Kooijman; Wilberth Smeets; Anthony L. Spek; Ben L. Feringa","Formation of Diphosphates. A NMR Study on the Mechanism and Stereochemistry of Diphosphate Formation from Chiral Dioxaphosphorinanes","Journal of the American Chemical Society","2000","122","","3135","3150","10.1021/ja992770k","","","0.71073","MoKα","","0.1531","0.0511","","","0.0867","0.1001","","","","","","0.923","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115963","12.417","0.0012","12.417","0.0012","10.912","0.002","90","","90","","120","","1457","0.3","295","","295","","","","","","","","see text","5","P 31","P 31","144","","","","- C19 H24 N O3 P -","- C19 H24 N O3 P -","- C57 H72 N3 O9 P3 -","3","1","","Ron Hulst; Johanna M. Visser; Robert W. J. Zijlstra; Huub Kooijman; Wilberth Smeets; Anthony L. Spek; Ben L. Feringa","Formation of Diphosphates. A NMR Study on the Mechanism and Stereochemistry of Diphosphate Formation from Chiral Dioxaphosphorinanes","Journal of the American Chemical Society","2000","122","","3135","3150","10.1021/ja992770k","","","1.54184","CuKα","","0.0907","0.0631","","","0.152","0.1678","","","","","","0.983","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115964","11.6187","0.0007","12.1293","0.0008","13.932","0.0011","78.198","0.008","67.611","0.008","63.935","0.007","1629.1","0.2","293","","","","","","","","","","see text","5","P -1","-P 1","2","","","","- C34 H40 Lu N Si3 -","- C34 H40 Lu N Si3 -","- C68 H80 Lu2 N2 Si6 -","2","1","","Jörg Eppinger; Michael Spiegler; Wolfgang Hieringer; Wolfgang A. Herrmann; Reiner Anwander","C2-Symmetric ansa-Lanthanidocene Complexes. Synthesis via Silylamine Elimination and β-SiH Agostic Rigidity","Journal of the American Chemical Society","2000","122","","3080","3096","10.1021/ja992786a","","","0.71073","MoKα","","0.0459","0.0332","","","0.0744","0.0769","","","","","","0.916","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115965","9.529","0.001","11.145","0.001","13.573","0.001","79.68","0.01","83.26","0.01","77.61","0.01","1380.4","0.2","193","","193","","","","","","","","see text","5","P -1","-P 1","2","","","","- C24 H44 La N Si3 -","- C24 H44 La N Si3 -","- C48 H88 La2 N2 Si6 -","2","1","","Jörg Eppinger; Michael Spiegler; Wolfgang Hieringer; Wolfgang A. Herrmann; Reiner Anwander","C2-Symmetric ansa-Lanthanidocene Complexes. Synthesis via Silylamine Elimination and β-SiH Agostic Rigidity","Journal of the American Chemical Society","2000","122","","3080","3096","10.1021/ja992786a","","","0.71073","MoKα","","0.0291","0.0247","","","0.0594","0.0605","","","","","","1.037","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115966","15.11","0.004","11.731","0.002","15.699","0.005","90","","108.55","0.01","90","","2638.2","1.2","163","","163","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 N Si3 Y -","- C26 H36 N Si3 Y -","- C104 H144 N4 Si12 Y4 -","4","0.5","","Jörg Eppinger; Michael Spiegler; Wolfgang Hieringer; Wolfgang A. Herrmann; Reiner Anwander","C2-Symmetric ansa-Lanthanidocene Complexes. Synthesis via Silylamine Elimination and β-SiH Agostic Rigidity","Journal of the American Chemical Society","2000","122","","3080","3096","10.1021/ja992786a","","","0.71073","MoKα","","0.0318","0.0318","","0.0742","0.0742","","","","1.048","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115967","15.0153","0.0004","11.8938","0.0005","15.7695","0.0005","90","","108.145","0.002","90","","2676.21","0.16","273","","273","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Lu N Si3 -","- C26 H36 Lu N Si3 -","- C104 H144 Lu4 N4 Si12 -","4","0.5","","Jörg Eppinger; Michael Spiegler; Wolfgang Hieringer; Wolfgang A. Herrmann; Reiner Anwander","C2-Symmetric ansa-Lanthanidocene Complexes. Synthesis via Silylamine Elimination and β-SiH Agostic Rigidity","Journal of the American Chemical Society","2000","122","","3080","3096","10.1021/ja992786a","","","0.71073","MoKα","","0.0223","0.0206","","","0.0469","0.0474","","","","","","1.094","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115968","11.1193","0.0006","11.9449","0.0005","14.8399","0.0008","72.396","0.005","75.824","0.006","69.896","0.005","1742.24","0.17","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C75 H88 N2 Si6 Y2 -","- C75 H88 N2 Si6 Y2 -","- C75 H88 N2 Si6 Y2 -","1","0.5","","Jörg Eppinger; Michael Spiegler; Wolfgang Hieringer; Wolfgang A. Herrmann; Reiner Anwander","C2-Symmetric ansa-Lanthanidocene Complexes. Synthesis via Silylamine Elimination and β-SiH Agostic Rigidity","Journal of the American Chemical Society","2000","122","","3080","3096","10.1021/ja992786a","","","0.71073","MoKα","","0.0358","0.0358","","0.0944","0.0944","","","","0.973","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115969","12.601","0.001","7.572","0.005","14.497","0.002","90","","102.83","0.03","90","","1348.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H28 Cl4 N4 O4 Pt -","- C22 H28 Cl4 N4 O4 Pt -","- C44 H56 Cl8 N8 O8 Pt2 -","2","0.5","","Gabriele Wagner; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","Platinum(IV)-Assisted [2 + 3] Cycloaddition of Nitrones to Coordinated Organonitriles. Synthesis of Δ4-1,2,4-Oxadiazolines","Journal of the American Chemical Society","2000","122","","3106","3111","10.1021/ja993564f","","","0.71073","MoKα","","0.0288","0.0287","","","0.0755","0.0756","","","","","","1.155","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115970","11.4456","0.0002","18.5241","0.0002","14.3865","0.0002","90","","103.141","0.0008","90","","2970.35","0.07","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 Cl N O3 P4 Pd2 -","- C68 H48 Cl N O3 P4 Pd2 -","- C136 H96 Cl2 N2 O6 P8 Pd4 -","2","0.5","","Nicole L. Coalter; Thomas E. Concolino; William E. Streib; Chris G. Hughes; Arnold L. Rheingold; Jeffrey M. Zaleski","Structure and Thermal Reactivity of a Novel Pd(0) Metalloenediyne","Journal of the American Chemical Society","2000","122","","3112","3117","10.1021/ja9944094","","","0.71073","MoKα","","0.1338","0.1277","","","0.4027","0.4067","","","","","","3.54","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115971","18.158","0.003","9.0659","0.0013","9.6297","0.0011","90","","92.14","0.01","90","","1584.1","0.4","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","tetranaphthalene acetonitrile solvent","","- C42 H27 N -","- C42 H24 N -","- C84 H48 N2 -","2","0.5","","Andrzej Rajca; Andrej Safronov; Suchada Rajca; Jirawat Wongsriratanakul","D2-Symmetric Dimer of 1,1'-Binaphthyl and Its Chiral π-Conjugated Carbodianion","Journal of the American Chemical Society","2000","122","","3351","3357","10.1021/ja993286k","","","0.71073","MoKα","","0.0662","0.0456","","","0.1183","0.1318","","","","","","1.012","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115972","10.929","0.003","15.212","0.007","25.523","0.009","90","","101.033","0.013","90","","4165","3","263","2","263","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H45 Eu N16 O13 -","- C28 H45 Eu N16 O13 -","- C112 H180 Eu4 N64 O52 -","4","1","","Myrtil L. Kahn; Jean-Pascal Sutter; Stéphane Golhen; Philippe Guionneau; Lahcène Ouahab; Olivier Kahn; Daniel Chasseau","Systematic Investigation of the Nature of The Coupling between a Ln(III) Ion (Ln = Ce(III) to Dy(III)) and Its Aminoxyl Radical Ligands. Structural and Magnetic Characteristics of a Series of {Ln(organic radical)2} Compounds and the Related {Ln(Nitrone)2} Derivatives","Journal of the American Chemical Society","2000","122","","3413","3421","10.1021/ja994175o","","","0.71073","MoKα","","0.0728","0.0406","","","0.1055","0.133","","","","","","1.042","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115973","10.199","0.002","10.63","0.002","14.062","0.002","82.49","","69.36","","83.35","","1410.4","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H32 N11 O11 Pr -","- C18 H32 N11 O11 Pr -","- C36 H64 N22 O22 Pr2 -","2","2","","Myrtil L. Kahn; Jean-Pascal Sutter; Stéphane Golhen; Philippe Guionneau; Lahcène Ouahab; Olivier Kahn; Daniel Chasseau","Systematic Investigation of the Nature of The Coupling between a Ln(III) Ion (Ln = Ce(III) to Dy(III)) and Its Aminoxyl Radical Ligands. Structural and Magnetic Characteristics of a Series of {Ln(organic radical)2} Compounds and the Related {Ln(Nitrone)2} Derivatives","Journal of the American Chemical Society","2000","122","","3413","3421","10.1021/ja994175o","","","0.71069","MoKα","","0.0986","0.03","","","0.0615","0.0725","","","","","","1.004","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115974","10.1856","0.001","12.0125","0.0008","13.0143","0.001","103.671","0.006","92.809","0.007","111.622","0.007","1422","0.2","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H42 O Si6 -","- C18 H42 O Si6 -","- C36 H84 O2 Si12 -","2","1","","Yoshio Kabe; Kenichi Ohkubo; Hitomi Ishikawa; Wataru Ando","1,4-Disila(Dewar-benzene) and 1,4-Disilabenzene: Valence Isomerization of Bis(alkylsilacyclopropenyl)s","Journal of the American Chemical Society","2000","122","","3775","3776","10.1021/ja9930061","","","0.7107","MoKα","","0.0567","0.057","","0.064","","0.064","","","3.282","","","3.28","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115975","17.7265","0.0013","10.5224","0.0006","15.627","0.002","90","","102.627","0.002","90","","2844.3","0.5","296.2","","296.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H42 Si6 -","- C18 H42 Si6 -","- C72 H168 Si24 -","4","1","","Yoshio Kabe; Kenichi Ohkubo; Hitomi Ishikawa; Wataru Ando","1,4-Disila(Dewar-benzene) and 1,4-Disilabenzene: Valence Isomerization of Bis(alkylsilacyclopropenyl)s","Journal of the American Chemical Society","2000","122","","3775","3776","10.1021/ja9930061","","","0.7107","MoKα","","0.072","0.072","","0.077","","0.077","","","3.766","","","3.77","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115976","11.7382","0.0005","9.7384","0.0004","18.6132","0.0008","90","","99.906","0.001","90","","2095.98","0.15","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Fe3 N2 O9 P2 -","- C15 H8 Fe3 N2 O9 P2 -","- C60 H32 Fe12 N8 O36 P8 -","4","1","","Caryn C. Borg-Breen; Maria T. Bautista; Cynthia K. Schauer; Peter S. White","Synthesis of the Bifunctional Phosphinidene Cluster, Fe3(CO)9(μ3-PH)2, and a Systematic Study of the Reactivity of the Cluster-Bound P-H Functional Group","Journal of the American Chemical Society","2000","122","","3952","3962","10.1021/ja993811f","","","0.7093","MolybdenumKα","","0.027","0.023","","0.03","0.029","","","","","2.66","2.66","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115977","16.8779","0.0007","14.4419","0.0006","21.1256","0.0009","90","","107.633","0.001","90","","4907.4","0.4","193","","193","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H30 Au2 Fe3 O9 P4 S2 -","- C45 H30 Au2 Fe3 O9 P4 S2 -","- C180 H120 Au8 Fe12 O36 P16 S8 -","4","1","","Caryn C. Borg-Breen; Maria T. Bautista; Cynthia K. Schauer; Peter S. White","Synthesis of the Bifunctional Phosphinidene Cluster, Fe3(CO)9(μ3-PH)2, and a Systematic Study of the Reactivity of the Cluster-Bound P-H Functional Group","Journal of the American Chemical Society","2000","122","","3952","3962","10.1021/ja993811f","","","0.7093","MolybdenumKα","","0.026","0.022","","0.033","0.032","","","","","1.36","1.36","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115978","12.986","0.01","11.792","0.01","20.659","0.03","90","","100.896","0.0004","90","","3106","6","50","1","50","1","","","","","","","Synthesis","6","P 1 21/n 1","-P 2yn","14","Bis-(m-[tris(2-thio-3-trimethylsilylphenyl-1k2S;1:2k4S;2k2S)phosphine-1kP,2k P]-diiron","Bis-(m-[tris(2-thio-3-trimethylsilylphenyl-1k2S;1:2k4S;2k2S)phosphine-1kP,2k P]-diiron","","- C54 H72 Fe2 P2 S6 Si6 -","- C54 H72 Fe2 P2 S6 Si6 -","- C108 H144 Fe4 P4 S12 Si12 -","2","0.5","","Jodi D. Niemoth-Anderson; Kerry A. (Fusie) Clark; T. Adrian George; Charles R. Ross","Five-Coordinate Diamagnetic Iron(IV) Complexes With A Trigonal Planar Arrangement of Thiolate Ligand Atoms: Synthesis and Crystal Structure of [FeX(PS3)] (X = Cl, Br or I; PS3H3= [P(C'''6H3-3-Me3Si-2-SH)3])","Journal of the American Chemical Society","2000","122","","3977","3978","10.1021/ja993988+","","","0.5608","AgKα","","0.0784","0.0583","","0.0732","0.066","","","","","1.521","1.521","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115979","20.623","","20.623","","20.623","","90","","90","","90","","8771.13","","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","Bromo[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron","Bromo[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron","","- C37.25 H46.25 Br Fe P S3 Si3 -","- C37.2 H36 Br Fe P S3 Si3 -","- C297.6 H288 Br8 Fe8 P8 S24 Si24 -","8","0.166667","","Jodi D. Niemoth-Anderson; Kerry A. (Fusie) Clark; T. Adrian George; Charles R. Ross","Five-Coordinate Diamagnetic Iron(IV) Complexes With A Trigonal Planar Arrangement of Thiolate Ligand Atoms: Synthesis and Crystal Structure of [FeX(PS3)] (X = Cl, Br or I; PS3H3= [P(C'''6H3-3-Me3Si-2-SH)3])","Journal of the American Chemical Society","2000","122","","3977","3978","10.1021/ja993988+","","","0.71073","MoKα","","0.0673","0.0604","","","0.1528","0.1624","","","","","","1.115","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115980","31.317","0.006","16.919","0.003","21.301","0.004","90","","112.21","0.03","90","","10449","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Iodo[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron","Iodo[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron","","- C90 H96 Cl12 Fe2 I2 P2 S6 Si6 -","- C84 H88 Cl10 Fe2 I2 P2 S6 Si6 -","- C336 H352 Cl40 Fe8 I8 P8 S24 Si24 -","4","0.5","","Jodi D. Niemoth-Anderson; Kerry A. (Fusie) Clark; T. Adrian George; Charles R. Ross","Five-Coordinate Diamagnetic Iron(IV) Complexes With A Trigonal Planar Arrangement of Thiolate Ligand Atoms: Synthesis and Crystal Structure of [FeX(PS3)] (X = Cl, Br or I; PS3H3= [P(C'''6H3-3-Me3Si-2-SH)3])","Journal of the American Chemical Society","2000","122","","3977","3978","10.1021/ja993988+","","","0.71073","MoKα","","0.0922","0.0709","","","0.1899","0.2083","","","","","","1.094","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115981","20.471","0.001","20.471","0.001","20.471","0.001","90","","90","","90","","8578.6","0.7","293","2","293","2","","","","","","","Synthesis","7","I -4 3 m","I -4 2 3","217","Chloro[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron","Chloro[tris(2-thio-3-trimethylsilylphenyl-kS)phosphine-kP]iron","","- C27 H36 Cl Fe P S3 Si3 -","- C37.68 H36 Cl Fe P S3 Si3 -","- C301.44 H288 Cl8 Fe8 P8 S24 Si24 -","8","0.166667","","Jodi D. Niemoth-Anderson; Kerry A. (Fusie) Clark; T. Adrian George; Charles R. Ross","Five-Coordinate Diamagnetic Iron(IV) Complexes With A Trigonal Planar Arrangement of Thiolate Ligand Atoms: Synthesis and Crystal Structure of [FeX(PS3)] (X = Cl, Br or I; PS3H3= [P(C'''6H3-3-Me3Si-2-SH)3])","Journal of the American Chemical Society","2000","122","","3977","3978","10.1021/ja993988+","","","0.71073","MoKα","","0.0374","0.0336","","0.0924","0.09","","","","1.086","1.113","1.113","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115982","23.723","0.004","7.1323","0.0009","15.452","0.002","90","","90","","90","","2614.5","0.6","296","1","296","1","","","","","","","Synthesized in the laboratory of J. P. Selegue","6","P n a 21","P 2c -2n","33","","endo-pentahapto-pentamethylcyclopentadienyl-hexahapto-7bH- indeno[1,2,3-jk]fluoreneruthenium(II) trifluoromethanesulfonate","","- C30 H27 F3 O3 Ru S -","- C30 H27 F3 O3 Ru S -","- C120 H108 F12 O12 Ru4 S4 -","4","1","","Aibing Xia; John P. Selegue; Alberto Carrillo; Carolyn P. Brock","Stereochemical Inversion of a Coordinated, Curved Hydrocarbon: Syntheses and Structures of exo- and endo-[Ru(η6-fluoradene)(η-C5Me5)][CF3SO3]","Journal of the American Chemical Society","2000","122","","3973","3974","10.1021/ja994266l","","","0.71073","MoKα","","0.056","0.0317","","0.0862","0.0772","","","","1.085","1.102","1.102","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115983","7.3776","0.0006","23.7473","0.0017","15.4796","0.0013","90","","90.17","0.03","90","","2712","0.4","296","1","296","1","","","","","","","Synthesized in the laboratory of J. P. Selegue","6","C 1 c 1","C -2yc","9","","exo-pentahapto-pentamethylcyclopentadienyl-hexahapto-7bH- indeno[1,2,3-jk]fluoreneruthenium(II) trifluoromethanesulfonate","","- C30 H27 F3 O3 Ru S -","- C30 H27 F3 O3 Ru S -","- C120 H108 F12 O12 Ru4 S4 -","4","1","","Aibing Xia; John P. Selegue; Alberto Carrillo; Carolyn P. Brock","Stereochemical Inversion of a Coordinated, Curved Hydrocarbon: Syntheses and Structures of exo- and endo-[Ru(η6-fluoradene)(η-C5Me5)][CF3SO3]","Journal of the American Chemical Society","2000","122","","3973","3974","10.1021/ja994266l","","","0.71073","MoKα","","0.0419","0.0285","","0.0827","0.0681","","","","1.065","1.105","1.105","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115984","19.46","0.02","24.2","0.03","13.81","0.02","90","","121.17","0.13","90","","5565","14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{[Cd2(4-pytz)3(NO3)4(MeOH)0.5]}","3,6-bis(pyrid-4-yl)-1,2,4,5-tetrazine Cadmium Nitrate Dichloromethane Toluene Solvate","","- C22.33 H12.78 Cd Cl0.67 N11 O6.5 -","- C22.835 H12 Cd Cl0.66 N11 O6.5 -","- C182.68 H96 Cd8 Cl5.28 N88 O52 -","8","1","","Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Martin Schröder","Assembly of a Three-Dimensional Polyknotted Coordination Polymer","Journal of the American Chemical Society","2000","122","","4044","4046","10.1021/ja991698n","","","0.71073","MoKα","","0.1538","0.0971","","","0.2333","0.2977","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115985","19.835","0.007","23.936","0.005","13.841","0.006","90","","122.48","0.04","90","","5543","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{[Cd2(4-pytz)3(NO3)3(OH)(MeOH)]}","3,6-bis(pyrid-4-yl)-1,2,4,5-tetrazine Cadmium Nitrate hydroxide Dichloromethane Toluene Methanol Solvate","","- C21.47 H12.88 Cd Cl0.5 N10.5 O5.83 -","- C21.39 H12 Cd Cl0.5 N10.5 O5.82 -","- C171.12 H96 Cd8 Cl4 N84 O46.56 -","8","1","","Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Martin Schröder","Assembly of a Three-Dimensional Polyknotted Coordination Polymer","Journal of the American Chemical Society","2000","122","","4044","4046","10.1021/ja991698n","","","0.71073","MoKα","","0.0948","0.0668","","","0.1706","0.1946","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115986","27.314","0.006","15.701","0.004","15.514","0.005","90","","116.7","0.02","90","","5944","3","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tris(3,6-bis(pyridin-4-yl)-1,2,4,5-tetrazine)dicadmium(II) nitrate diethylether adduct (1/1)","","- C20 H17 Cd N11 O6.5 -","- C20 H12 Cd N11 O6.5 -","- C160 H96 Cd8 N88 O52 -","8","1","","Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Martin Schröder","Assembly of a Three-Dimensional Polyknotted Coordination Polymer","Journal of the American Chemical Society","2000","122","","4044","4046","10.1021/ja991698n","","","0.71069","MoKα","","0.0984","0.0854","","0.1078","0.0925","","","","1.0844","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115987","7.887","0.001","11.114","0.002","35.472","0.005","90","","94.68","0.01","90","","3099","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(tetrahydofuran)(iodo)(2,6-(diphenyl)phenyl)ytterbium(II) hemi tetrahydrofuran solvate","","- C32 H41 I O3.5 Yb -","- C32 H41 I O3.5 Yb -","- C128 H164 I4 O14 Yb4 -","4","1","","Gernot Heckmann; Mark Niemeyer","Synthesis and First Structural Characterization of Lanthanide(II) Aryls: Observation of a Schlenk Equilibrium in Europium(II) and Ytterbium(II) Chemistry","Journal of the American Chemical Society","2000","122","","4227","4228","10.1021/ja993494c","","","0.71073","MoKα","","0.056","0.0378","","","0.0842","0.0917","","","","","","1.243","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115988","9.607","0.004","11.65","0.004","19.47","0.007","102.788","0.019","91.34","0.019","113.65","0.02","1931.2","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Bis(tetrahydofuran)(Bis)(2,6-(diphenyl)phenyl)europium(II) tetrahydrofuran solvate","","- C48 H50 Eu O3 -","- C48 H50 Eu O3 -","- C96 H100 Eu2 O6 -","2","1","","Gernot Heckmann; Mark Niemeyer","Synthesis and First Structural Characterization of Lanthanide(II) Aryls: Observation of a Schlenk Equilibrium in Europium(II) and Ytterbium(II) Chemistry","Journal of the American Chemical Society","2000","122","","4227","4228","10.1021/ja993494c","","","0.71073","MoKα","","0.0551","0.0394","","","0.088","0.091","","","","","","0.924","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115989","23.163","0.006","26.096","0.005","23.981","0.006","90","","111.093","0.019","90","","13524","6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Pentakis(tetrahydofuran)diiodoeuropium(II)","","- C80 H160 Eu4 I8 O20 -","- C80 H160 Eu4 I8 O20 -","- C320 H640 Eu16 I32 O80 -","4","1","","Gernot Heckmann; Mark Niemeyer","Synthesis and First Structural Characterization of Lanthanide(II) Aryls: Observation of a Schlenk Equilibrium in Europium(II) and Ytterbium(II) Chemistry","Journal of the American Chemical Society","2000","122","","4227","4228","10.1021/ja993494c","","","0.71073","MoKα","","0.1501","0.0746","","","0.1627","0.1986","","","","","","0.981","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115990","11.455","0.002","13.859","0.003","14.101","0.004","98.5","0.02","98.87","0.01","92.52","0.02","2182.4","0.9","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H51 N6 Nd O15 -","- C36 H51 N6 Nd O15 -","- C72 H102 N12 Nd2 O30 -","2","1","","Koen Binnemans; Yury G. Galyametdinov; Rik Van Deun; Duncan W. Bruce; Simon R. Collinson; Arkadiy P. Polishchuk; Ildar Bikchantaev; Wolfgang Haase; Andrey V. Prosvirin; Larisa Tinchurina; Igor Litvinov; Ajdar Gubajdullin; Ajdar Rakhmatullin; Koen Uytterhoeven; Luc Van Meervelt","Rare-Earth-Containing Magnetic Liquid Crystals","Journal of the American Chemical Society","2000","122","","4335","4344","10.1021/ja993351q","","","0.71073","MoKα","","0.0467","0.0376","","","0.0911","0.0971","","","","","","1.039","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115991","11.38","0.001","13.8","0.005","14.03","0.005","98.7","0.03","98.15","0.02","92.67","0.02","2150.8","1.1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H51 Dy N6 O15 -","- C36 H51 Dy N6 O15 -","- C72 H102 Dy2 N12 O30 -","2","1","","Koen Binnemans; Yury G. Galyametdinov; Rik Van Deun; Duncan W. Bruce; Simon R. Collinson; Arkadiy P. Polishchuk; Ildar Bikchantaev; Wolfgang Haase; Andrey V. Prosvirin; Larisa Tinchurina; Igor Litvinov; Ajdar Gubajdullin; Ajdar Rakhmatullin; Koen Uytterhoeven; Luc Van Meervelt","Rare-Earth-Containing Magnetic Liquid Crystals","Journal of the American Chemical Society","2000","122","","4335","4344","10.1021/ja993351q","","","0.71073","MoKα","","","0.025","","","0.03","","","","","0.995","0.995","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115992","7.1731","0.0009","11.566","0.001","13.807","0.002","70.627","0.002","84.071","0.002","81.72","0.002","1067.5","0.2","110","","110","","","","","","","","","5","P -1","-P 1","2","[Nitrilotri(methylphosphonic acid)*1,7-Phenanthroline]*2H2O","","","- C15 H24 N3 O11 P3 -","- C15 H24 N3 O11 P3 -","- C30 H48 N6 O22 P6 -","2","1","","C. V. Krishnamohan Sharma; Abraham Clearfield","Three-Dimensional Hexagonal Structures from a Novel Self-Complementary Molecular Building Block","Journal of the American Chemical Society","2000","122","","4394","4402","10.1021/ja9935512","","","0.71073","MoKα","","0.0743","0.0441","","","0.0961","0.1052","","","","","","0.913","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115993","8.1519","0.0005","11.255","0.0007","11.3742","0.0007","72.239","0.001","74.563","0.001","85.809","0.001","957.95","0.1","110","","123","2","","","","","","","","5","P -1","-P 1","2","[Nitrilotri(methylphosphonic acid)*1,10-Phenanthroline]","","","- C15 H20 N3 O9 P3 -","- C15 H20 N3 O9 P3 -","- C30 H40 N6 O18 P6 -","2","1","","C. V. Krishnamohan Sharma; Abraham Clearfield","Three-Dimensional Hexagonal Structures from a Novel Self-Complementary Molecular Building Block","Journal of the American Chemical Society","2000","122","","4394","4402","10.1021/ja9935512","","","0.71073","MoKα","","0.0578","0.0527","","","0.1387","0.1454","","","","","","1.116","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115994","7.4491","0.0004","13.7121","0.0008","15.1279","0.0009","86.543","0.001","89.146","0.001","76.255","0.001","1498.22","0.15","110","","110","","","","","","","","","5","P -1","-P 1","2","[Nitrilotri(methylphosphonic acid)*1,7-Phenanthroline]*3H2O","","","- C27 H34 N5 O12 P3 -","- C27 H34 N5 O12 P3 -","- C54 H68 N10 O24 P6 -","2","1","","C. V. Krishnamohan Sharma; Abraham Clearfield","Three-Dimensional Hexagonal Structures from a Novel Self-Complementary Molecular Building Block","Journal of the American Chemical Society","2000","122","","4394","4402","10.1021/ja9935512","","","0.71073","MoKα","","0.04","0.0352","","","0.1017","0.1054","","","","","","1.042","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115995","20.049","0.006","13.635","0.003","20.125","0.006","90","","90","","90","","5502","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl2 N O P2 Tc -","- C28 H28 Cl2 N O P2 Tc -","- C224 H224 Cl16 N8 O8 P16 Tc8 -","8","1","","Cristina Bolzati; Alessandra Boschi; Adriano Duatti; Sushumna Prakash; Licia Uccelli; Fiorenzo Refosco; Francesco Tisato; Giuliano Bandoli","Geometrically Controlled Selective Formation of Nitrido Technetium(V) Asymmetrical Heterocomplexes with Bidentate Ligands","Journal of the American Chemical Society","2000","122","","4510","4511","10.1021/ja993834u","","","0.71073","MoKα","","0.0774","0.0452","","0.1145","0.0976","","","","1.036","1.071","1.071","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115996","13.01","0.002","10.853","0.001","23.692","0.004","90","","90","","90","","3345.3","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Cl2 Fe N5 O5 -","- C10 H24 Cl2 Fe N5 O5 -","- C80 H192 Cl16 Fe8 N40 O40 -","8","1","","Christina Hauser; Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","The Electronic Structures of an Isostructural Series of Octahedral Nitrosyliron Complexes {Fe-NO}6,7,8 Elucidated by Mössbauer Spectroscopy","Journal of the American Chemical Society","2000","122","","4352","4365","10.1021/ja994161i","","","0.71073","MoKα","","0.079","0.0536","","0.1242","0.1127","","","","1.047","1.108","1.108","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115997","13.45","0.002","8.1261","0.0008","13.478","0.002","90","","109.43","0.02","90","","1389.2","0.4","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C6 H15 Cl Fe N6 O9 -","- C6 H15 Cl Fe N6 O9 -","- C24 H60 Cl4 Fe4 N24 O36 -","4","2","","Christina Hauser; Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","The Electronic Structures of an Isostructural Series of Octahedral Nitrosyliron Complexes {Fe-NO}6,7,8 Elucidated by Mössbauer Spectroscopy","Journal of the American Chemical Society","2000","122","","4352","4365","10.1021/ja994161i","","","0.71073","MoKα","","0.0746","0.0462","","0.1207","0.108","","","","0.991","1.132","1.132","","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4115998","11.986","0.001","11.9379","0.0005","19.3898","0.0007","90","","98.802","0.001","90","","2741.8","0.3","273.2","","273.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H40 O6 -","- C31 H40 O6 -","- C124 H160 O24 -","4","2","","Yoshihiko Yamamoto; Hideaki Kitahara; Ryuji Ogawa; Hiroyuki Kawaguchi; Kazuyuki Tatsumi; Kenji Itoh","Ru(II)-Catalyzed Cycloadditions of 1,6-Heptadiynes with Alkenes: New Synthetic Potential of Ruthenacyclopentatrienes as Biscarbenoids in Tandem Cyclopropanation of Bicycloalkenes and Heteroatom-Assisted Cyclocotrimerization of 1,6-Heptadiynes with Heterocyclic Alkenes","Journal of the American Chemical Society","2000","122","","4310","4319","10.1021/ja9942890","","","0.7107","MoKα","","0.074","0.0536","","","0.0533","0.0545","","","","","","1.879","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115999","7.912","0.001","16.578","0.003","7.7275","0.0002","90","","120.253","0.0006","90","","875.54","0.19","273.2","","273.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O8 -","- C19 H20 O8 -","- C38 H40 O16 -","2","1","","Yoshihiko Yamamoto; Hideaki Kitahara; Ryuji Ogawa; Hiroyuki Kawaguchi; Kazuyuki Tatsumi; Kenji Itoh","Ru(II)-Catalyzed Cycloadditions of 1,6-Heptadiynes with Alkenes: New Synthetic Potential of Ruthenacyclopentatrienes as Biscarbenoids in Tandem Cyclopropanation of Bicycloalkenes and Heteroatom-Assisted Cyclocotrimerization of 1,6-Heptadiynes with Heterocyclic Alkenes","Journal of the American Chemical Society","2000","122","","4310","4319","10.1021/ja9942890","","","0.7107","MoKα","","0.0504","0.0464","","","0.0625","0.063","","","","","","2.425","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116000","5.8709","0.0008","9.8771","0.0008","10.491","0.003","90","","104.408","0.007","90","","589.21","0.19","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","O-Trifluorosilyl-N,N-dimethylhydroxylamine","","- C2 H6 F3 N O Si -","- C2 H6 F3 N O Si -","- C8 H24 F12 N4 O4 Si4 -","4","1","","Norbert W. Mitzel; Udo Losehand; Anan Wu; Dieter Cremer; David W. H. Rankin","(N,N-Dimethylaminoxy)trifluorosilane: Strong, Dipole Moment Driven Changes in the Molecular Geometry Studied by Experiment and Theory in Solid, Gas, and Solution Phases","Journal of the American Chemical Society","2000","122","","4471","4482","10.1021/ja994542w","","","0.71073","MoKα","","0.0847","0.0466","","","0.121","0.1382","","","","","","1.021","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116001","24.7269","0.0014","24.7269","0.0014","24.7269","0.0014","90","","90","","90","","15118.5","1.5","293","2","293","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","C168 H144 Cl12 N48 Ni6 S12 24DMF 13H2O","","","- C240 H338 Cl12 N72 Ni6 O37 S24 -","- C206.4 H144 Cl12 N68 Ni6 O12.52 S24 -","- C412.8 H288 Cl24 N136 Ni12 O25.04 S48 -","2","0.0416667","","Maochun Hong; Yingjun Zhao; Weiping Su; Rong Cao; Makoto Fujita; Zhongyuan Zhou; Albert S. C. Chan","A Nanometer-Sized Metallosupramolecular Cube with Oh Symmetry","Journal of the American Chemical Society","2000","122","","4819","4820","10.1021/ja000247w","","","0.71073","MoKα","","0.1633","0.0778","","","0.1941","0.2932","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116002","11.9775","0.0004","22.9899","0.0006","9.9059","0.0004","95.675","0.002","107.604","0.0007","76.798","0.002","2529.94","0.15","93.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C45 H80 Si7 -","- C45 H80 Si7 -","- C90 H160 Si14 -","2","1","","Ken Hatano; Norihiro Tokitoh; Nozomi Takagi; Shigeru Nagase","The First Stable Heteracyclopropabenzene: Synthesis and Crystal Structure of a Silacyclopropabenzene","Journal of the American Chemical Society","2000","122","","4829","4830","10.1021/ja000501k","","","0.7107","MoKα","","","0.053","","","","0.1507","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116003","15.703","0.01","6.639","0.003","42.24","0.03","90","","100.25","0.04","90","","4333","5","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3R,6S,7R,10S,11R,14S,15R,18S,19R,22S)-2,23-bis(4'-bromobenzoyloxy)-2,6,10,1 5,19,23-hexamethyl-3,7,11,15,19-penta(oxacyclopentyl)tetracosane","","- C44 H58 Br2 O9 -","- C44 H58 Br2 O9 -","- C176 H232 Br8 O36 -","4","1","","Zhaoming Xiong; E. J. Corey","Simple Total Synthesis of the Pentacyclic Cs-Symmetric Structure Attributed to the Squalenoid Glabrescol and Three Cs-Symmetric Diastereomers Compel Structural Revision","Journal of the American Chemical Society","2000","122","","4831","4832","10.1021/ja000842y","","","0.71073","MoKα","","0.3532","0.1159","","","0.1908","0.2851","","","","","","0.979","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116004","14.95","0.002","22.361","0.002","9.6966","0.0003","90","","104.854","0.005","90","","3133.2","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[FE(II)(OEP)(NO)]","NITROSYL-IRON(II)-2,3,7,8,12,13,17,18-OCTAETHYLPORPHYRIN","","- C36 H44 Fe N5 O -","- C36 H44 Fe N5 O -","- C144 H176 Fe4 N20 O4 -","4","1","","W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison","Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives","Journal of the American Chemical Society","2000","122","","4651","4659","10.1021/ja993995y","","","0.71073","MoKα","","0.0523","0.0421","","0.1561","0.1515","","","","1.283","1.332","1.332","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116005","10.4204","0.0001","10.5562","0.0007","14.0425","0.0007","79.83","0.005","89.585","0.004","80.264","0.004","1498.1","0.13","130","2","130","2","","","","","","","","5","P -1","-P 1","2","[FE(II)(OEP)(NO)]","NITROSYL-IRON(II)-2,3,7,8,12,13,17,18-OCTAETHYLPORPHYRIN","","- C36 H44 Fe N5 O -","- C36 H44 Fe N5 O -","- C72 H88 Fe2 N10 O2 -","2","1","","W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison","Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives","Journal of the American Chemical Society","2000","122","","4651","4659","10.1021/ja993995y","","","0.71073","MoKα","","0.0535","0.0412","","0.1128","0.1059","","","","1.024","1.057","1.057","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116006","8.8435","0.0006","14.1716","0.0013","15.6651","0.0018","69.946","0.012","83.063","0.007","86.647","0.011","1830.4","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","[Fe(oxoOEC)(NO)]","NITROSYL-IRON(II)-3,3,7,8,12,13,17,18-OCTAETHYL-3(H)-PORPHIN-2-ONATO(2-)","","- C37 H45 Cl3 Fe N5 O2 -","- C37 H45 Cl3 Fe N5 O2 -","- C74 H90 Cl6 Fe2 N10 O4 -","2","1","","W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison","Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives","Journal of the American Chemical Society","2000","122","","4651","4659","10.1021/ja993995y","","","0.71073","MoKα","","0.1082","0.0781","","","0.2082","0.2351","","","","","","1.062","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116007","16.75","0.003","15.293","0.003","17.608","0.004","90","","107.77","0.03","90","","4295.2","1.7","130","2","130","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[Fe(TPPBr4)(NO)]","Nitrosyl-iron(II)-2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin","","- C45.5 H24 Br4 Cl4.5 Fe N5 O -","- C45.5 H24 Br4 Cl4.5 Fe N5 O -","- C182 H96 Br16 Cl18 Fe4 N20 O4 -","4","1","","W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison","Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives","Journal of the American Chemical Society","2000","122","","4651","4659","10.1021/ja993995y","","","0.71073","MoKα","","0.1204","0.0755","","","0.1878","0.2321","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116008","17.623","0.004","10.522","0.002","19.457","0.004","90","","90.78","0.03","90","","3607.6","1.3","295","2","295","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[FE(II)(TPPBr4)(NO)]","Nitrosyl-iron(II)-2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin","","- C44 H24 Br4 Fe N5 O -","- C44 H24 Br4 Fe N5 O -","- C176 H96 Br16 Fe4 N20 O4 -","4","0.5","","W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison","Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives","Journal of the American Chemical Society","2000","122","","4651","4659","10.1021/ja993995y","","","0.71073","MoKα","","0.1474","0.0982","","","0.2538","0.3373","","","","","","1.054","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116009","13.7989","0.0011","13.8385","0.0009","13.959","0.002","103.581","0.01","97.433","0.009","106.352","0.006","2431","0.5","158","2","158","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H38 B11 Cl6 Fe N4 O2 -","- C45 H37.882 B11 Cl5.41 Fe N4 O2 -","- C90 H75.764 B22 Cl10.82 Fe2 N8 O4 -","2","1","","Daniel R. Evans; Christopher A. Reed","Reversal of H2O and OH-Ligand Field Strength on the Magnetochemical Series Relative to the Spectrochemical Series. Novel 1-equiv Water Chemistry of Iron(III) Tetraphenylporphyrin Complexes","Journal of the American Chemical Society","2000","122","","4660","4667","10.1021/ja994478i","","","1.54178","CuKα","","0.0689","0.0606","","","0.1566","0.1604","","","","","","1.082","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116010","12.378","0.004","16.097","0.008","24.458","0.003","90","","97.94","0.02","90","","4827","3","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ferric Tetraphenylporphryin Hexabromocarborane","","","- C45 H34 B11 Br6 Fe N4 -","- C45 H34 B11 Br6 Fe N4 -","- C180 H136 B44 Br24 Fe4 N16 -","4","1","","Daniel R. Evans; Christopher A. Reed","Reversal of H2O and OH-Ligand Field Strength on the Magnetochemical Series Relative to the Spectrochemical Series. Novel 1-equiv Water Chemistry of Iron(III) Tetraphenylporphyrin Complexes","Journal of the American Chemical Society","2000","122","","4660","4667","10.1021/ja994478i","","","1.54178","CuKα","","0.1013","0.0757","","0.2113","0.1904","","","","1.374","1.466","1.466","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116011","14.9525","0.0014","14.1601","0.0014","16.0276","0.0016","90","","103.55","0.002","90","","3299.1","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,2-bis(2-methyl-5-(4-(tert-butyl)phenyl)-3-thienyl)perfluorocyclopentene","5-(4-(tert-butyl)phenyl)-3-(2-(5-(4-(tert-butyl)phenyl)-2-methyl(3-thienyl)) -3,3,4,4,5,5-hexafluorocyclopent-1-enyl)-2-methylthiophene","","- C35 H34 F6 S2 -","- C35 H34 F6 S2 -","- C140 H136 F24 S8 -","4","1","","Masahiro Irie; Thorsten Lifka; Seiya Kobatake; Nobuo Kato","Photochromism of 1,2-Bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","4871","4876","10.1021/ja993181h","","","0.71073","MoKα","","0.0822","0.0655","","","0.1854","0.2017","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116012","18.786","0.002","11.7616","0.0014","21.675","0.003","90","","96.323","0.002","90","","4760","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2-bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene","3-(3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenyl(3-thienyl))cyclopent-1- enyl)-2-methyl-5-phenylthiophene","","- C27 H18 F6 S2 -","- C27 H18 F6 S2 -","- C216 H144 F48 S16 -","8","2","","Masahiro Irie; Thorsten Lifka; Seiya Kobatake; Nobuo Kato","Photochromism of 1,2-Bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","4871","4876","10.1021/ja993181h","","","0.71073","MoKα","","0.0806","0.0485","","","0.1328","0.1516","","","","","","1.023","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116013","11.77","0.004","12.023","0.005","9.626","0.003","94.45","0.03","95.89","0.03","60.07","0.03","1173.7","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4,4,5,5,6,6-Hexafluoro-9α,9β- dimethyl-2,8-diphenyl-5,6,9a,9b-tetrahydro- 4H-cyclopenta[e]benzo[2,1-b:3,4-b']dithiophene","","- C27 H18 F6 S2 -","- C27 H18 F6 S2 -","- C54 H36 F12 S4 -","2","1","","Masahiro Irie; Thorsten Lifka; Seiya Kobatake; Nobuo Kato","Photochromism of 1,2-Bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","4871","4876","10.1021/ja993181h","","","1.54184","MoKα","","0.0905","0.0504","","0.1538","0.1263","","","","1.065","1.112","1.112","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116014","25.978","0.004","9.2508","0.0015","10.7141","0.0018","90","","102.708","0.003","90","","2511.7","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,2-bis(2-methyl-5-tolyl-3-thienyl)perfluorocyclopentene","3-(3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-(4-methylphenyl)(3-thienyl))cyclopent- 1-enyl)-2-methyl-5-(4-methylphenyl)thiophene","","- C29 H22 F6 S2 -","- C29 H22 F6 S2 -","- C116 H88 F24 S8 -","4","0.5","","Masahiro Irie; Thorsten Lifka; Seiya Kobatake; Nobuo Kato","Photochromism of 1,2-Bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","4871","4876","10.1021/ja993181h","","","0.71073","MoKα","","0.0668","0.0504","","","0.1365","0.1492","","","","","","1.033","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116015","14.639","0.005","14.886","0.005","19.796","0.005","87.55","0.005","70.66","0.005","89.361","0.005","4067","2","293","2","188","2","","","","","","","","8","P -1","-P 1","2","[Fe2(m-O2CArTol)4(py)2](OTf)","","","- C96 H78 Cl2 F3 Fe2 N2 O11 S -","- C96 H78 Cl1.982 F3 Fe2 N2 O11 S -","- C192 H156 Cl3.964 F6 Fe4 N4 O22 S2 -","2","1","","Dongwhan Lee; Carsten Krebs; Boi Hanh Huynh; Michael P. Hendrich; Stephen J. Lippard","Valence-Delocalized Diiron(II,III) Cores Supported by Carboxylate-Only Bridging Ligands","Journal of the American Chemical Society","2000","122","","5000","5001","10.1021/ja994448f","","","0.71069","MoKα","","0.1203","0.0588","","","0.1285","0.1443","","","","","","0.906","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116016","15.454","0.005","17.759","0.005","19.679","0.005","69.225","0.005","81.798","0.005","70.115","0.005","4747","2","293","2","188","2","","","","","","","","7","P -1","-P 1","2","[Fe2(m-O2CArTol)4(THF)2](PF6)","","","- C110 H91 Cl3 F6 Fe2 O10 P -","- C110 H91 Cl3 F6 Fe2 O10 P -","- C220 H182 Cl6 F12 Fe4 O20 P2 -","2","1","","Dongwhan Lee; Carsten Krebs; Boi Hanh Huynh; Michael P. Hendrich; Stephen J. Lippard","Valence-Delocalized Diiron(II,III) Cores Supported by Carboxylate-Only Bridging Ligands","Journal of the American Chemical Society","2000","122","","5000","5001","10.1021/ja994448f","","","0.71069","MoKα","","0.0843","0.0572","","","0.1447","0.1555","","","","","","1.057","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116017","8.4433","0.0006","10.2522","0.0008","13.1711","0.001","108.578","0.001","97.064","0.001","89.743","0.001","1071.78","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Alq3 - beta","","","- C27 H18 Al N3 O3 -","- C27 H18 Al N3 O3 -","- C54 H36 Al2 N6 O6 -","2","1","","Martin Brinkmann; Gregory Gadret; Michele Muccini; Carlo Taliani; Norberto Masciocchi; Angelo Sironi","Correlation between Molecular Packing and Optical Properties in Different Crystalline Polymorphs and Amorphous Thin Films of mer-Tris(8-hydroxyquinoline)aluminum(III)","Journal of the American Chemical Society","2000","122","","5147","5157","10.1021/ja993608k","","","0.71073","MoKα","","0.1243","0.0594","","","0.1033","0.1209","","","","","","0.985","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116018","7.1808","0.0007","8.317","0.001","12.725","0.002","93.87","0.01","98.78","0.01","105.75","0.01","718.11","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","fac-trichloro{1C,N-(1'-ethanone, 1'-phenylato, oxime)} (S-methylthiomethane)platinum(IV)","","","- C10 H14 Cl3 N O Pt S -","- C10 Cl3 N O Pt S -","- C20 Cl6 N2 O2 Pt2 S2 -","2","1","","Larissa Alexandrova; Oleg G. D'yachenko; Grigory M. Kazankov; Vladimir A. Polyakov; Pavel V. Samuleev; Enrique Sansores; Alexander D. Ryabov","Mechanism of Biologically Relevant Deoxygenation of Dimethyl Sulfoxide Coupled with Pt(II) to Pt(IV) Oxidation of Orthoplatinated Oximes. Synthetic, Kinetic, Electrochemical, X-ray Structural, and Density Functional Study","Journal of the American Chemical Society","2000","122","","5189","5200","10.1021/ja994342k","","","0.71069","MoKα","","0.0371","0.0355","","","0.0389","0.0389","","","","","","0.963","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116019","13.888","0.002","15.866","0.002","17.869","0.002","77.632","0.002","73.91","0.002","77.116","0.002","3638.8","0.8","173.2","","173.2","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H86 N4 O17 -","- C80 H86 N4 O17 -","- C160 H172 N8 O34 -","2","1","","Yukitami Mizuno; Takuzo Aida; Kentaro Yamaguchi","Chirality-Memory Molecule: Crystallographic and Spectroscopic Studies on Dynamic Molecular Recognition Events by Fully Substituted Chiral Porphyrins","Journal of the American Chemical Society","2000","122","","5278","5285","10.1021/ja000052o","","","0.7107","MoKα","","0.0663","0.066","","0.086","","0.086","","","1.969","","","1.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116020","10.6688","0.0002","15.2337","0.0003","42.5078","0.0006","90","","90","","90","","6908.6","0.2","213","2","213","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H49 F3 N3 O3 P S -","- C30 H49 F3 N3 O3 P S -","- C240 H392 F24 N24 O24 P8 S8 -","8","1","","Neil Burford; T. Stanley Cameron; Daren J. LeBlanc; Andrew D. Phillips; Thomas E. Concolino; Kin-Chung Lam; Arnold L. Rheingold","Iminophosphide Bonding Environments from Carbene Complexes of Iminophosphines","Journal of the American Chemical Society","2000","122","","5413","5414","10.1021/ja000432+","","","0.71073","MoKα","","0.136","0.0892","","","0.1502","0.1699","","","","","","1.215","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116021","21.8062","0.0003","8.5184","0.0001","17.8511","0.0002","90","","110.892","0.001","90","","3097.91","0.07","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H49 Cl N3 P -","- C29 H49 Cl N3 P -","- C116 H196 Cl4 N12 P4 -","4","1","","Neil Burford; T. Stanley Cameron; Daren J. LeBlanc; Andrew D. Phillips; Thomas E. Concolino; Kin-Chung Lam; Arnold L. Rheingold","Iminophosphide Bonding Environments from Carbene Complexes of Iminophosphines","Journal of the American Chemical Society","2000","122","","5413","5414","10.1021/ja000432+","","","0.71073","MoKα","","0.1075","0.085","","","0.2371","0.2753","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116022","19.588","0.002","12.1805","0.0015","19.823","0.003","90.025","0.015","98.066","0.015","89.96","0.015","4682.8","1","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H80 P4 Ru2 Si -","- C18 H40 P2 Ru Si0.5 -","- C144 H320 P16 Ru8 Si4 -","8","1","","Isabelle Atheaux; Bruno Donnadieu; V. Rodriguez; Sylviane Sabo-Etienne; Bruno Chaudret; Khansaa Hussein; Jean-Claude Barthelat","A Unique Coordination of SiH4: Isolation, Characterization, and Theoretical Study of (PR3)2H2Ru(SiH4)RuH2(PR3)2","Journal of the American Chemical Society","2000","122","","5664","5665","10.1021/ja000223p","","","0.71073","MoKα","","0.0281","0.0225","","","0.0587","0.0608","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116023","10.0439","0.0006","10.7647","0.0007","35.262","0.002","90","","90","","90","","3812.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O -","- C24 H25 N O -","- C192 H200 N8 O8 -","8","2","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.1214","0.0592","","","0.1123","0.1366","","","","","","1.03","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116024","10.0869","0.0006","10.8633","0.0006","35.817","0.002","90","","90","","90","","3924.7","0.4","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 F N O -","- C24 H24 F N O -","- C192 H192 F8 N8 O8 -","8","2","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0731","0.045","","","0.0937","0.1062","","","","","","1","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116025","9.4192","0.0001","10.1201","0.0001","11.8636","0.0003","90","","106.668","0.002","90","","1083.36","0.03","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0452","0.0424","","","0.1127","0.1144","","","","","","1.086","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116026","9.4494","0.0009","9.702","0.001","13.061","0.001","90","","110.371","0.002","90","","1122.52","0.18","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H34 N O3 -","- C26 H34 N O3 -","- C52 H68 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0463","0.0426","","","0.1096","0.1137","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116027","8.4546","0.0007","22.244","0.002","32.612","0.002","90","","90","","90","","6133.1","0.8","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30.67 N O3 -","- C23 H30.6667 N O3 -","- C276 H368 N12 O36 -","12","3","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.1093","0.0735","","","0.1948","0.2281","","","","","","1","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116028","9.9023","0.0009","10.6217","0.0009","18.945","0.001","90","","90","","90","","1992.6","0.3","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0661","0.0413","","","0.0823","0.094","","","","","","1.055","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116029","10.3574","0.0006","10.6801","0.0006","19.388","0.001","90","","90","","90","","2144.7","0.2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N O -","- C28 H26 N O -","- C112 H104 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0712","0.0483","","","0.1169","0.1296","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116030","10.0281","0.0004","11.4783","0.0005","16.8217","0.0007","90","","95.653","0.01","90","","1926.85","0.14","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","2","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0558","0.0414","","","0.0925","0.0983","","","","","","1.036","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116031","17.988","0.002","7.0987","0.0008","17.823","0.002","90","","109.749","0.008","90","","2142","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H23 Cl2 N O -","- C24 H23 Cl2 N O -","- C96 H92 Cl8 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0573","0.0517","","","0.1257","0.1278","","","","","","1.031","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116032","10.23","0.0003","9.0097","0.0003","12.3888","0.0003","90","","108.482","0.001","90","","1082.97","0.06","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0445","0.0327","","","0.0714","0.0746","","","","","","1.003","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116033","8.3269","0.0004","8.4131","0.0004","29.128","0.002","90","","90","","90","","2040.6","0.2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0658","0.0465","","","0.0931","0.102","","","","","","1.015","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116034","8.4524","0.0007","8.0786","0.0007","13.8705","0.0012","90","","98.816","0.002","90","","935.94","0.14","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C42 H54 N2 O6 -","2","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0412","0.0403","","","0.1094","0.1107","","","","","","1.021","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116035","10.555","0.002","10.119","0.002","26.478","0.004","90","","99.201","0.002","90","","2791.6","0.9","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N O S -","- C22 H23 N O S -","- C132 H138 N6 O6 S6 -","6","3","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0991","0.0918","","","0.2415","0.2466","","","","","","1.073","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116036","10.0585","0.0005","10.4847","0.0005","34.977","0.002","90","","90","","90","","3688.7","0.3","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O S -","- C22 H23 N O S -","- C176 H184 N8 O8 S8 -","8","2","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0895","0.0544","","","0.0919","0.103","","","","","","1.059","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116037","5.2688","0.0003","21.7645","0.0012","9.7497","0.0006","90","","93.748","0.001","90","","1115.63","0.11","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H24 Cl N O S -","- C26 H24 Cl N O S -","- C52 H48 Cl2 N2 O2 S2 -","2","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0369","0.0318","","","0.0796","0.0823","","","","","","1.034","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116038","5.2543","0.0004","10.236","0.0008","11.3852","0.0009","71.562","0.001","87.505","0.001","80.018","0.001","572.06","0.08","213","2","213","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H29 Hg N O3 -","- C26 H29 Hg N O3 -","- C26 H29 Hg N O3 -","1","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0316","0.0315","","","0.0751","0.0752","","","","","","1.053","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116039","13.3079","0.0003","13.5922","0.0004","16.1716","0.0004","90","","108.582","0.0002","90","","2772.68","0.12","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Cl2 Fe N12 O8 -","- C18 H30 Cl2 Fe N12 O8 -","- C72 H120 Cl8 Fe4 N48 O32 -","4","0.5","","Justine P. Roth; Scott Lovell; James M. Mayer","Intrinsic Barriers for Electron and Hydrogen Atom Transfer Reactions of Biomimetic Iron Complexes","Journal of the American Chemical Society","2000","122","","5486","5498","10.1021/ja9941328","","","0.7107","MoKα","","0.0988","0.0742","","","0.2144","0.2315","","","","","","1.096","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116040","13.214","0.0002","13.407","0.0003","15.731","0.0003","90","","90","","90","","2786.91","0.09","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H29 Cl2 Fe N12 O8 -","- C18 H29 Cl2 Fe N12 O8 -","- C72 H116 Cl8 Fe4 N48 O32 -","4","1","","Justine P. Roth; Scott Lovell; James M. Mayer","Intrinsic Barriers for Electron and Hydrogen Atom Transfer Reactions of Biomimetic Iron Complexes","Journal of the American Chemical Society","2000","122","","5486","5498","10.1021/ja9941328","","","0.7107","MoKα","","0.0904","0.0504","","","0.1412","0.1619","","","","","","1.03","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116041","17.5362","0.0015","14.1422","0.001","12.58","0.002","90","","90.45","0.004","90","","3119.7","0.6","161","2","161","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Cl3 Fe N12 O12 -","- C18 H30 Cl3 Fe N12 O12 -","- C72 H120 Cl12 Fe4 N48 O48 -","4","1","","Justine P. Roth; Scott Lovell; James M. Mayer","Intrinsic Barriers for Electron and Hydrogen Atom Transfer Reactions of Biomimetic Iron Complexes","Journal of the American Chemical Society","2000","122","","5486","5498","10.1021/ja9941328","","","0.7107","MoKα","","0.0896","0.0635","","","0.1646","0.1845","","","","","","1.154","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116042","16.315","0.001","14.444","0.001","19.452","0.001","90","","105.52","0.005","90","","4416.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H64 B10 Dy Na O5 -","- C36 H63 B10 Dy Na O5 -","- C144 H252 B40 Dy4 Na4 O20 -","4","1","","Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie","Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand","Journal of the American Chemical Society","2000","122","","5758","5764","10.1021/ja000188m","","","0.71073","MoKα","","0.0606","0.0537","","","0.1396","0.1453","","","","","","1.068","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116043","16.354","0.002","14.331","0.0019","19.469","0.003","90","","105.59","0.008","90","","4395.1","1.1","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H128 B20 Na2 O10 Y2 -","- C72 H126 B20 Na2 O10 Y2 -","- C144 H252 B40 Na4 O20 Y4 -","2","0.5","","Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie","Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand","Journal of the American Chemical Society","2000","122","","5758","5764","10.1021/ja000188m","","","0.71073","MoKα","","0.0918","0.0758","","","0.2015","0.2165","","","","","","1.1","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4116044","16.315","0.001","14.444","0.001","19.452","0.001","90","","105.52","0.005","90","","4416.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H64 B10 Er Na O5 -","- C36 H63 B10 Er Na O5 -","- C144 H252 B40 Er4 Na4 O20 -","4","1","","Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie","Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand","Journal of the American Chemical Society","2000","122","","5758","5764","10.1021/ja000188m","","","0.71073","MoKα","","0.05","0.0453","","","0.1366","0.1421","","","","","","1.04","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116045","9.5966","0.0015","14.867","0.003","16.246","0.003","114.37","0.011","102.23","0.008","90.44","0.01","2051.6","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H108 B20 Er2 Na2 O12 -","- C56 H108 B20 Er2 Na2 O12 -","- C56 H108 B20 Er2 Na2 O12 -","1","0.5","","Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie","Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand","Journal of the American Chemical Society","2000","122","","5758","5764","10.1021/ja000188m","","","0.71073","MoKα","","0.0694","0.0646","","","0.1711","0.1759","","","","","","1.028","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4116046","16.724","0.003","14.249","0.003","18.53","0.004","90","","103.83","0.03","90","","4287.7","1.6","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H64 B10 Li O5 Y -","- C36 H64 B10 Li O5 Y -","- C144 H256 B40 Li4 O20 Y4 -","4","1","","Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie","Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand","Journal of the American Chemical Society","2000","122","","5758","5764","10.1021/ja000188m","","","0.71073","MoKα","","0.1269","0.0869","","","0.1619","0.1797","","","","","","1.168","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4116047","16.742","0.003","14.225","0.003","18.483","0.004","90","","103.95","0.03","90","","4272","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H64 B10 Er Li O5 -","- C36 H64 B10 Er Li O5 -","- C144 H256 B40 Er4 Li4 O20 -","4","1","","Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie","Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand","Journal of the American Chemical Society","2000","122","","5758","5764","10.1021/ja000188m","","","0.71073","MoKα","","0.0556","0.0483","","","0.1237","0.1286","","","","","","1.077","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116048","6.0733","0.0003","13.5299","0.001","17.704","0.0013","84.051","0.003","87.394","0.004","82.095","0.004","1432.45","0.17","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 B Fe N -","- C16 H22 B Fe N -","- C64 H88 B4 Fe4 N4 -","4","2","","Andrea Berenbaum; Holger Braunschweig; Regina Dirk; Ulli Englert; Jennifer C. Green; Frieder Jäkle; Alan J. Lough; Ian Manners","Synthesis, Electronic Structure, and Novel Reactivity of Strained, Boron-Bridged [1]Ferrocenophanes","Journal of the American Chemical Society","2000","122","","5765","5774","10.1021/ja000311+","","","0.71073","MoKα","","0.0944","0.0511","","","0.1181","0.1314","","","","","","0.957","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116049","14.475","0.002","14.554","0.002","12.27","0.001","108.474","0.008","107.348","0.008","89.14","0.01","2331.1","0.5","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H44 Cl3 Cu2 N11 O15 -","- C35 Cl3 Cu2 N11 O15 -","- C70 Cl6 Cu4 N22 O30 -","2","1","","Hideki Ohtsu; Yuichi Shimazaki; Akira Odani; Osamu Yamauchi; Wasuke Mori; Shinobu Itoh; Shunichi Fukuzumi","Synthesis and Characterization of Imidazolate-Bridged Dinuclear Complexes as Active Site Models of Cu,Zn-SOD","Journal of the American Chemical Society","2000","122","","5733","5741","10.1021/ja994050j","","","1.5418","CuKα","","0.1558","0.073","","0.1506","0.109","","","","1.028","1.02","1.02","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116050","9.843","0.002","18.361","0.002","25.111","0.003","90","","97.84","0.02","90","","4495.8","1.2","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H49 Cl3 Cu2 N8 O18 -","- C33 Cl3 Cu2 N8 O18 -","- C132 Cl12 Cu8 N32 O72 -","4","1","","Hideki Ohtsu; Yuichi Shimazaki; Akira Odani; Osamu Yamauchi; Wasuke Mori; Shinobu Itoh; Shunichi Fukuzumi","Synthesis and Characterization of Imidazolate-Bridged Dinuclear Complexes as Active Site Models of Cu,Zn-SOD","Journal of the American Chemical Society","2000","122","","5733","5741","10.1021/ja994050j","","","1.5418","CuKα","","0.1907","0.0838","","0.1865","0.1321","","","","1.135","1.21","1.21","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116051","14.861","0.005","10.784","0.005","35.597","0.004","90","","90.57","0.02","90","","5705","3","296.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl2 Cu N7 O8 -","- C21 Cl2 Cu N7 O8 -","- C168 Cl16 Cu8 N56 O64 -","8","2","","Hideki Ohtsu; Yuichi Shimazaki; Akira Odani; Osamu Yamauchi; Wasuke Mori; Shinobu Itoh; Shunichi Fukuzumi","Synthesis and Characterization of Imidazolate-Bridged Dinuclear Complexes as Active Site Models of Cu,Zn-SOD","Journal of the American Chemical Society","2000","122","","5733","5741","10.1021/ja994050j","","","0.7107","MoKα","","","0.075","","","","0.1053","","","","","","1.219","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116052","12.51","0.002","9.959","0.003","16.949","0.005","90","","90","","90","","2111.6","1","20","","20","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H16 Fe N6 S2 -","- C26 H16 Fe N6 S2 -","- C104 H64 Fe4 N24 S8 -","4","0.5","","Jey-Jau Lee; Hwo-shuenn Sheu; Chi-Rung Lee; Jin-Ming Chen; Jyh-Fu Lee; Chih-Chieh Wang; Chun-Hsun Huang; Yu Wang","X-ray Absorption Spectroscopic Studies on Light-Induced Excited Spin State Trapping of an Fe(II) Complex","Journal of the American Chemical Society","2000","122","","5742","5747","10.1021/ja9943290","","","0.642","Synchrotron","","0.069","0.069","","0.064","0.064","","","","","3.29","3.29","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116053","9.982","0.006","10","0.001","9.576","0.004","97.96","0.03","114.87","0.03","107.67","0.02","786.2","0.7","288.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C6 H15 Ge N2 O12 P3 Zn -","- C6 H15 Ge N2 O12 P3 Zn -","- C12 H30 Ge2 N4 O24 P6 Zn2 -","2","1","","Jianmin Li; Yanxiong Ke; Yugen Zhang; Gaofei He; Zheng Jiang; Masayoshi Nishiura; Tsuneo Imamoto","((DABCO).ZnGe(HPO4)3: The First Zinco-Germanophosphate with a Unique Asymmetric Cage","Journal of the American Chemical Society","2000","122","","6110","6111","10.1021/ja000107m","","","0.7107","MoKα","","","0.0685","","","","0.1251","","","","","","3.192","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116054","10.797","0.002","22.824","0.004","8.768","0.003","90","","90","","90","","2160.7","0.9","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3R,4S)-5,5-diphenyl-2-methoxycarbonyl-3-(4-methoxyphenyl)- 4-nitropyrrolidine","","- C25 H24 N2 O5 -","- C25 H24 N2 O5 -","- C100 H96 N8 O20 -","4","1","","Silvia Vivanco; Begoña Lecea; Ana Arrieta; Pilar Prieto; Iñaki Morao; Anthony Linden; Fernando P. Cossío","Origins of the Loss of Concertedness in Pericyclic Reactions: Theoretical Prediction and Direct Observation of Stepwise Mechanisms in [3 + 2] Thermal Cycloadditions","Journal of the American Chemical Society","2000","122","","6078","6092","10.1021/ja9945360","","","0.71069","MoKα","","","0.0399","","","","0.0359","","","","","","1.767","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116055","10.6","0.001","15.514","0.002","10.014","0.002","90","","111.58","0.01","90","","1531.4","0.4","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2S*,3R*)-Methyl 2-acetamido-3-(4-methoxyphenyl)-4-nitrobutyrate","","- C14 H18 N2 O6 -","- C14 H18 N2 O6 -","- C56 H72 N8 O24 -","4","1","","Silvia Vivanco; Begoña Lecea; Ana Arrieta; Pilar Prieto; Iñaki Morao; Anthony Linden; Fernando P. Cossío","Origins of the Loss of Concertedness in Pericyclic Reactions: Theoretical Prediction and Direct Observation of Stepwise Mechanisms in [3 + 2] Thermal Cycloadditions","Journal of the American Chemical Society","2000","122","","6078","6092","10.1021/ja9945360","","","0.71069","MoKα","","0.1642","0.0589","","0.0549","0.0463","0.0463","","","1.392","","","1.686","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116056","18.2411","0.0008","22.9074","0.0008","24.7429","0.0012","90.442","0.002","77.707","0.002","78.95","0.002","9901.9","0.7","175","","","","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C176 H220 Cl4 N14 O32 Zn2 -","- C174 Cl4 N14 O32 Zn2 -","- C348 Cl8 N28 O64 Zn4 -","2","1","","Olivier Sénèque; Marie-Noëlle Rager; Michel Giorgi; Olivia Reinaud","Calix[6]arenes and Zinc: Biomimetic Receptors for Neutral Molecules","Journal of the American Chemical Society","2000","122","","6183","6189","10.1021/ja000185+","","","0.71073","xray","","","0.125","","","0.1339","","","","","5.09","5.09","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116057","14.5244","0.0004","15.819","0.0005","23.3483","0.0006","90.34","0.001","104.163","0.001","108.724","0.001","4905.3","0.2","298","","","","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C97 H134 Cl2 N10 O14 Zn -","- C97 H115 Cl2 N10 O15.5 Zn -","- C194 H230 Cl4 N20 O31 Zn2 -","2","1","","Olivier Sénèque; Marie-Noëlle Rager; Michel Giorgi; Olivia Reinaud","Calix[6]arenes and Zinc: Biomimetic Receptors for Neutral Molecules","Journal of the American Chemical Society","2000","122","","6183","6189","10.1021/ja000185+","","","0.71073","xray","","","0.054","","","0.092","","","","","2.408","2.408","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116058","12.5434","0.001","18.0749","0.0014","14.1236","0.0011","90","","109.767","0.001","90","","3013.4","0.4","233","2","233","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30.5 H32.5 Cl F3 N O5 Pt S -","- C28.5 H32.5 Cl F3 N3 O5 Pt S -","- C114 H130 Cl4 F12 N12 O20 Pt4 S4 -","4","2","","James A. Johnson; Dalibor Sames","C-H Bond Activation of Hydrocarbon Segments in Complex Organic Molecules: Total Synthesis of the Antimitotic Rhazinilam","Journal of the American Chemical Society","2000","122","","6321","6322","10.1021/ja0003223","","","0.71073","MoKα","","0.0397","0.0374","","","0.1023","0.105","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116059","10.024","0.003","10.22","0.003","10.727","0.004","74.42","0.03","74.58","0.02","84.77","0.03","1020.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Cu2 N2 O6 -","- C22 H14 Cu2 N2 O6 -","- C44 H28 Cu4 N4 O12 -","2","1","","Samuel M-F. Lo; Stephen S-Y. Chui; Lai-Yung Shek; Zhenyang Lin; Xi Xiang Zhang; Ge-hei Wen; Ian D. Williams","Solvothermal Synthesis of a Stable Coordination Polymer with Copper-I-Copper-II Dimer Units: [Cu4{1,4-C6H4(COO)2}3(4,4'-bipy)2]n","Journal of the American Chemical Society","2000","122","","6293","6294","10.1021/ja000416c","","","0.71073","MoKα","","0.0516","0.0408","","","0.1025","0.1094","","","","","","1.047","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116060","27.004","0.004","27.004","0.004","12.23","0.002","90","","90","","90","","8918","2","20","2","20","2","","","","","","","synthesis","5","I -4","I -4","82","","","","- C42 H36 Cl6 Co3 N12 -","- C42 H33.8 Cl6 Co3 N12 -","- C336 H270.4 Cl48 Co24 N96 -","8","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.56086","AgKα","","0.056","0.0416","","0.0952","0.0903","","","","1.055","1.102","1.102","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116061","12.9014","0.0006","14.0313","0.0006","11.2384","0.0001","90","","90","","90","","2034.41","0.13","296","2","296","2","","","","","","","synthesis","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MoKα","","0.0379","0.036","","0.092","0.0902","","","","1.097","1.097","1.097","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116062","11.176","0.002","13.92","0.002","12.74","0.002","90","","90.056","0.009","90","","1982","0.6","109","2","109","2","","","","","","","synthesis","5","P 1 n 1","P -2yac","7","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MOKα","","0.0327","0.0311","","0.0804","0.0794","","","","1.097","1.094","1.094","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116063","27.378","0.002","27.378","0.002","12.318","0.001","90","","90","","90","","9233","1.2","298","2","298","2","","","","","","","synthesis","5","I -4","I -4","82","","","","- C42 H36 Cl6 Co3 N12 -","- C42 H34 Cl6.01 Co3 N12 -","- C336 H272 Cl48.08 Co24 N96 -","8","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MoKα","","0.0439","0.0406","","0.1044","0.1008","","","","1.077","1.071","1.071","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116064","27.2558","0.0008","27.2558","0.0008","12.2451","0.0007","90","","90","","90","","9096.6","0.6","213","2","213","2","","","","","","","synthesis","5","I -4","I -4","82","","","","- C42 H36 Cl6 Co3 N12 -","- C42 H34 Cl6.01 Co3 N12 -","- C336 H272 Cl48.08 Co24 N96 -","8","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MoKα","","0.0405","0.0383","","0.093","0.091","","","","1.136","1.138","1.138","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116065","27.189","0.001","27.189","0.001","12.2293","0.0007","90","","90","","90","","9040.4","0.7","173","2","173","2","","","","","","","synthesis","5","I -4","I -4","82","","","","- C42 H36 Cl6 Co3 N12 -","- C42 H34 Cl6.01 Co3 N12 -","- C336 H272 Cl48.08 Co24 N96 -","8","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MoKα","","0.0395","0.0378","","0.092","0.0902","","","","1.022","1.02","1.02","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116066","27.128","0.001","27.128","0.001","12.2094","0.0009","90","","90","","90","","8985.2","0.8","133","2","133","2","","","","","","","synthesis","5","I -4","I -4","82","","","","- C42 H36 Cl6 Co3 N12 -","- C42 H34 Cl6.01 Co3 N12 -","- C336 H272 Cl48.08 Co24 N96 -","8","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MoKα","","0.0386","0.037","","0.0962","0.0944","","","","1.084","1.081","1.081","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116067","13.477","0.002","21.479","0.001","9.863","0.001","90","","90","","90","","2855.1","0.5","296.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 B Br O2 P -","- C27 H43 B Br O2 P -","- C108 H172 B4 Br4 O8 P4 -","4","1","","Tsuneo Imamoto; Hideaki Morishita","An Enantiomerically Pure Tetracoordinate Boron Compound: Stereochemistry of Substitution Reactions at the Chirogenic Boron Atom","Journal of the American Chemical Society","2000","122","","6329","6330","10.1021/ja0011764","","","1.5418","CuKα","","","0.0948","","","","0.1321","","","","","","2.771","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116068","7.666","0.002","17.2","0.002","8.955","0.002","90","","109.84","0.02","90","","1110.7","0.4","296.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H37 B Br O2 P -","- C20 H37 B Br O2 P -","- C40 H74 B2 Br2 O4 P2 -","2","1","","Tsuneo Imamoto; Hideaki Morishita","An Enantiomerically Pure Tetracoordinate Boron Compound: Stereochemistry of Substitution Reactions at the Chirogenic Boron Atom","Journal of the American Chemical Society","2000","122","","6329","6330","10.1021/ja0011764","","","1.5418","CuKα","","","0.0955","","","","0.1288","","","","","","1.866","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116069","7.611","0.002","17.309","0.002","8.95","0.002","90","","110.24","0.01","90","","1106.3","0.4","296.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H37 B N O2 P -","- C21 H37 B N O2 P -","- C42 H74 B2 N2 O4 P2 -","2","1","","Tsuneo Imamoto; Hideaki Morishita","An Enantiomerically Pure Tetracoordinate Boron Compound: Stereochemistry of Substitution Reactions at the Chirogenic Boron Atom","Journal of the American Chemical Society","2000","122","","6329","6330","10.1021/ja0011764","","","1.5418","CuKα","","","0.0545","","","","0.0847","","","","","","1.901","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116070","8.9674","0.0005","11.8249","0.0006","37.037","0.002","90","","92.577","0.001","90","","3923.4","0.4","173","2","173","2","","","","","","","Patrick Holland","6","P 1 21/n 1","-P 2yn","14","00104","A(iPr)CuSCPh2(CH2OCH3)","","- C44 H56 Cu N2 O S -","- C44 H56 Cu N2 O S -","- C176 H224 Cu4 N8 O4 S4 -","4","1","","Patrick L. Holland; William B. Tolman","A Structural Model of the Type 1 Copper Protein Active Site: N2S(thiolate)S(thioether) Ligation in a Cu(II) Complex","Journal of the American Chemical Society","2000","122","","6331","6332","10.1021/ja001328v","","","0.71073","MoKα","","0.1083","0.0648","","","0.1263","0.14","","","","","","1.042","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116071","31.7444","0.0015","31.7444","0.0015","23.6164","0.0011","90","","90","","120","","20610","1.7","173","2","173","2","","","","","","","Patrick Holland","5","R -3 :H","-R 3","148","00122","L(iPr)Cu(SCPh2CH2SCH3) * (C2H5)2O","","- C44 H56 Cu N2 S2 -","- C44 H56 Cu N2 S2 -","- C792 H1008 Cu18 N36 S36 -","18","1","","Patrick L. Holland; William B. Tolman","A Structural Model of the Type 1 Copper Protein Active Site: N2S(thiolate)S(thioether) Ligation in a Cu(II) Complex","Journal of the American Chemical Society","2000","122","","6331","6332","10.1021/ja001328v","","","0.71073","MoKα","","0.12","0.0578","","","0.1083","0.1271","","","","","","1.026","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116072","12.866","0.003","15.594","0.003","18.197","0.004","67.33","0.03","76.78","0.03","73.38","0.03","3199","1.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H48 Ti -","- C34 H48 Ti -","- C136 H192 Ti4 -","4","2","","Paul-Michael Pellny; Vladimir V. Burlakov; Perdita Arndt; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactions of Hexatriynes with Permethyltitanocene and -zirconocene Complexes: First NMR Observation of a Metallocene Sliding along a Polyyne Chain","Journal of the American Chemical Society","2000","122","","6317","6318","10.1021/ja994393h","","","0.71073","MoKα","","0.0961","0.0525","","0.1332","0.1203","","","","0.879","1.083","1.083","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116073","9.093","0.002","30.743","0.006","11.625","0.002","90","","106.23","0.03","90","","3120.2","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Zr -","- C34 H48 Zr -","- C136 H192 Zr4 -","4","1","","Paul-Michael Pellny; Vladimir V. Burlakov; Perdita Arndt; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal","Reactions of Hexatriynes with Permethyltitanocene and -zirconocene Complexes: First NMR Observation of a Metallocene Sliding along a Polyyne Chain","Journal of the American Chemical Society","2000","122","","6317","6318","10.1021/ja994393h","","","0.71073","MoKα","","0.0534","0.0367","","0.0859","0.0821","","","","0.939","1.055","1.055","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116074","14.075","0.002","17.906","0.007","23.885","0.003","90","","106.455","0.017","90","","5773","3","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Na(H2O)(bicyclicbenzocrown)Cl.(2.62CHCl3).(0.31C6H14).(1.14H2O)","","- C48.48 H53.24 Cl8.86 N4 Na O12.14 -","- C48.48 H44.62 Cl8.86 N4 Na O12.14 -","- C193.92 H178.48 Cl35.44 N16 Na4 O48.56 -","4","1","","Martin J. Deetz; Maoyu Shang; Bradley D. Smith","A Macrobicyclic Receptor with Versatile Recognition Properties: Simultaneous Binding of an Ion Pair and Selective Complexation of Dimethylsulfoxide","Journal of the American Chemical Society","2000","122","","6201","6207","10.1021/ja994487r","","","0.71073","MoKα","","0.1393","0.0925","","","0.2408","0.2782","","","","","","1.056","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116075","38.531","0.003","14.1236","0.001","17.5199","0.0017","90","","102.88","0.003","90","","9294.4","1.3","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(dicarboxamidedibenzocrown).2.0H2O.1.5Me2SO","","- C47 H55 N4 O13.5 S1.5 -","- C47.008 H55 N4 O13.5 S1.5 -","- C376.064 H440 N32 O108 S12 -","8","1","","Martin J. Deetz; Maoyu Shang; Bradley D. Smith","A Macrobicyclic Receptor with Versatile Recognition Properties: Simultaneous Binding of an Ion Pair and Selective Complexation of Dimethylsulfoxide","Journal of the American Chemical Society","2000","122","","6201","6207","10.1021/ja994487r","","","0.71073","MoKα","","0.1256","0.0856","","","0.2165","0.2462","","","","","","0.989","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116076","17.254","0.004","15.452","0.005","24.427","0.006","90","","106.28","0.01","90","","6251","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H79 F3 Fe2 N8 O8 S -","- C63 H79 F3 Fe2 N8 O8 S -","- C252 H316 F12 Fe8 N32 O32 S4 -","4","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","0.71073","MoKα","","0.0834","0.0604","","0.1847","0.1609","","","","1.038","1.055","1.055","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116077","20.418","0.002","19.2789","0.0014","37.606","0.002","90","","90","","90","","14803","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H96 B Fe2 N7 O5 -","- C84 H96 B Fe2 N7 O5 -","- C672 H768 B8 Fe16 N56 O40 -","8","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","1.54178","CuKα","","0.1226","0.0816","","0.3213","0.2153","","","","1.021","1.012","1.012","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116078","20.7008","0.0003","19.6161","0.0001","30.3179","0.0005","90","","90","","90","","12311.2","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C63 H67 F3 Fe2 N6 O9 S -","- C61 H60 F3 Fe2 N6 O8.5 S -","- C488 H480 F24 Fe16 N48 O68 S8 -","8","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","0.71073","MoKα","","0.1087","0.0887","","0.2409","0.2261","","","","1.165","1.216","1.216","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116079","20.5573","0.0009","19.3176","0.0008","37.7437","0.0014","90","","90","","90","","14988.7","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H95 B Fe2 N7 O5 -","- C84 H95 B Fe2 N7 O5 -","- C672 H760 B8 Fe16 N56 O40 -","8","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","1.54178","CuKα","","0.1304","0.0716","","0.2175","0.1729","","","","1.022","1.113","1.113","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116080","16.171","0.005","15.182","0.002","27.989","0.006","90","","105.23","0.02","90","","6630","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H82 F6 Fe2 N6 O13 S2 -","- C64 H82 F6 Fe2 N6 O13 S2 -","- C256 H328 F24 Fe8 N24 O52 S8 -","4","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","1.54178","CuKα","","0.1463","0.0802","","0.2191","0.179","","","","1.02","1.13","1.13","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116081","12.937","0.002","14.977","0.003","25.627","0.005","93.84","0.01","91.12","0.01","96.26","0.01","4922.9","1.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H119 B2 Fe2 N8 O7 -","- C112 H119 B2 Fe2 N8 O7 -","- C224 H238 B4 Fe4 N16 O14 -","2","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","1.54178","CuKα","","0.0954","0.0657","","0.2025","0.1753","","","","1.015","1.074","1.074","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116082","10.4432","0.0004","8.7916","0.0004","29.4646","0.0012","90","","97.298","0.001","90","","2683.3","0.19","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 N6 O8 Zn2 -","- C20 H38 N6 O8 Zn2 -","- C80 H152 N24 O32 Zn8 -","4","1","","Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard","Hydrolysis of β-Lactam Antibiotics Catalyzed by Dinuclear Zinc(II) Complexes: Functional Mimics of Metallo-β-lactamases","Journal of the American Chemical Society","2000","122","","6411","6422","10.1021/ja993704l","","","0.71073","MoKα","","0.0809","0.0433","","","0.1209","0.1382","","","","","","0.844","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116083","14.017","0.005","11.416","0.005","16.931","0.005","90","0.005","111.462","0.005","90","0.005","2521.4","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Zn2L1(OH)(NO3)2","","","- C19 H36 N6 O8 Zn2 -","- C19 H36 N6 O8 Zn2 -","- C76 H144 N24 O32 Zn8 -","4","0.5","","Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard","Hydrolysis of β-Lactam Antibiotics Catalyzed by Dinuclear Zinc(II) Complexes: Functional Mimics of Metallo-β-lactamases","Journal of the American Chemical Society","2000","122","","6411","6422","10.1021/ja993704l","","","0.71069","MoKα","","0.0625","0.035","","","0.0738","0.081","","","","","","0.976","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116084","8.6489","0.0001","17.2821","0.0002","19.5061","0.0005","90","","97.583","0.001","90","","2890.1","0.09","188","2","188","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Br N7 O10 Zn2 -","- C20 H18 Br N7 O10 Zn2 -","- C80 H72 Br4 N28 O40 Zn8 -","4","1","","Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard","Hydrolysis of β-Lactam Antibiotics Catalyzed by Dinuclear Zinc(II) Complexes: Functional Mimics of Metallo-β-lactamases","Journal of the American Chemical Society","2000","122","","6411","6422","10.1021/ja993704l","","","0.71073","MoKα","","0.0459","0.0381","","","0.1384","0.1453","","","","","","1.19","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116085","25.0187","0.0003","25.0187","0.0003","8.6641","0.0002","90","","90","","90","","5423.17","0.16","188","2","188","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C19 H35 N7 O10 Zn2 -","- C19 H35 N7 O10 Zn2 -","- C152 H280 N56 O80 Zn16 -","8","1","","Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard","Hydrolysis of β-Lactam Antibiotics Catalyzed by Dinuclear Zinc(II) Complexes: Functional Mimics of Metallo-β-lactamases","Journal of the American Chemical Society","2000","122","","6411","6422","10.1021/ja993704l","","","0.71073","MoKα","","0.0761","0.0409","","","0.0772","0.0842","","","","","","1.009","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116086","12.571","0.006","14.418","0.007","9.414","0.004","100.63","0.04","95.88","0.04","112.38","0.04","1522.4","1.4","298.2","","298.2","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H60 Cl8 N4 O10 -","- C62 H60 Cl8 N4 O10 -","- C62 H60 Cl8 N4 O10 -","1","0.5","","Hidemitsu Uno; Takashi Inoue; Yumiko Fumoto; Motoo Shiro; Noboru Ono","meso-Unsubstituted Porphyrinogens and Hexaphyrinogens: The First X-ray Characterization","Journal of the American Chemical Society","2000","122","","6773","6774","10.1021/ja000482e","","","1.5418","CuKα","","0.0529","0.053","","0.069","","0.069","","","1.978","","","1.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116087","43.981","0.002","43.981","0.001","17.017","0.001","90","","90","","120","","28506","2","143.2","","143.2","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C103 H115 Cl3 N6 O12 -","- C103.001 H114.75 Cl2.833 N6 O12 -","- C1236.01 H1377 Cl33.996 N72 O144 -","12","0.666667","","Hidemitsu Uno; Takashi Inoue; Yumiko Fumoto; Motoo Shiro; Noboru Ono","meso-Unsubstituted Porphyrinogens and Hexaphyrinogens: The First X-ray Characterization","Journal of the American Chemical Society","2000","122","","6773","6774","10.1021/ja000482e","","","0.7107","MoKα","","","0.0756","","","","0.0941","","","","","","1.739","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116088","17.0867","0.0013","17.0867","0.0013","49.643","0.006","90","","90","","120","","12552","2","293","2","293","2","","","","","","","synthetic","8","R -3 c :H","-R 3 2""c","167","","","","- C12 H48 N12 Na2 O24 Re12 Se16 Zn3 -","- C12 N12 Na1.98 O23.6 Re12 Se16 Zn3 -","- C72 N72 Na11.88 O141.6 Re72 Se96 Zn18 -","6","0.166667","","Miriam V. Bennett; Matthew P. Shores; Laurance G. Beauvais; Jeffrey R. Long","Expansion of the Porous Solid Na2Zn3[Fe(CN)6]2.9H2O: Enhanced Ion-Exchange Capacity in Na2Zn3[Re6Se8(CN)6]2.24H2O","Journal of the American Chemical Society","2000","122","","6664","6668","10.1021/ja000593d","","","0.71073","MoKα","","0.1091","0.0446","","0.0973","0.0811","","","","0.99","1.116","1.116","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116089","17.1915","0.0012","17.1915","0.0012","49.369","0.005","90","","90","","120","","12636.1","1.8","293","2","293","2","","","","","","","synthetic","7","R -3 c :H","-R 3 2""c","167","","","","- C12 H48 N12 O24 Re12 Se16 Zn4 -","- C12 N12 O24 Re12 Se16 Zn4 -","- C72 N72 O144 Re72 Se96 Zn24 -","6","0.166667","","Miriam V. Bennett; Matthew P. Shores; Laurance G. Beauvais; Jeffrey R. Long","Expansion of the Porous Solid Na2Zn3[Fe(CN)6]2.9H2O: Enhanced Ion-Exchange Capacity in Na2Zn3[Re6Se8(CN)6]2.24H2O","Journal of the American Chemical Society","2000","122","","6664","6668","10.1021/ja000593d","","","0.71073","MoKα","","0.0525","0.0278","","0.0732","0.0687","","","","0.949","1.102","1.102","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116090","18.9899","0.0002","10.8806","0.0003","8.5788","0.0003","90","","108.218","0.002","90","","1683.71","0.08","293","2","293","2","","","","","","","synthetic","7","C 1 2/m 1","-C 2y","12","","","","- C6 H34 N6 O15 Re6 Se8 Zn2 -","- C6 N6 O17 Re6 Se8 Zn2 -","- C12 N12 O34 Re12 Se16 Zn4 -","2","0.25","","Miriam V. Bennett; Matthew P. Shores; Laurance G. Beauvais; Jeffrey R. Long","Expansion of the Porous Solid Na2Zn3[Fe(CN)6]2.9H2O: Enhanced Ion-Exchange Capacity in Na2Zn3[Re6Se8(CN)6]2.24H2O","Journal of the American Chemical Society","2000","122","","6664","6668","10.1021/ja000593d","","","0.71073","MoKα","","0.0667","0.0399","","0.099","0.0891","","","","1.02","1.101","1.101","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116091","15.232","0.003","25.028","0.005","19.142","0.004","90","","110.7","0.02","90","","6826","3","140","2","140","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C65 H74 B F24 N O P2 Ru -","- C65 H74 B F24 N O P2 Ru -","- C260 H296 B4 F96 N4 O4 P8 Ru4 -","4","1","","Andrew J. Toner; Stephan Gründemann; Eric Clot; Hans-Heinrich Limbach; Bruno Donnadieu; Sylviane Sabo-Etienne; Bruno Chaudret","Ruthenium Assisted Reversible Proton Transfer from an Aromatic Carbon to a Hydride","Journal of the American Chemical Society","2000","122","","6777","6778","10.1021/ja9943997","","","0.71073","MoKα","","0.0403","0.0357","","","0.0915","0.0949","","","","","","1.031","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116092","7.7846","0.001","17.781","0.003","13.173","0.003","90","","91.534","0.013","90","","1822.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Ag N7 O3 -","- C14 H20 Ag N7 O3 -","- C56 H80 Ag4 N28 O12 -","4","1","","Kil Sik Min; Myunghyun Paik Suh","Silver(I)-Polynitrile Network Solids for Anion Exchange: Anion-Induced Transformation of Supramolecular Structure in the Crystalline State","Journal of the American Chemical Society","2000","122","","6834","6840","10.1021/ja000642m","","","0.71069","MoKα","","0.0562","0.0387","","","0.0925","0.0982","","","","","","0.977","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116093","10.5634","0.0007","17.186","0.002","11.4697","0.0007","90","","90.142","0.005","90","","2082.2","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Ag F3 N6 O3 S -","- C15 H20 Ag F3 N6 O3 S -","- C60 H80 Ag4 F12 N24 O12 S4 -","4","1","","Kil Sik Min; Myunghyun Paik Suh","Silver(I)-Polynitrile Network Solids for Anion Exchange: Anion-Induced Transformation of Supramolecular Structure in the Crystalline State","Journal of the American Chemical Society","2000","122","","6834","6840","10.1021/ja000642m","","","0.71069","MoKα","","0.0602","0.0471","","","0.117","0.1237","","","","","","0.969","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116094","11.05","0.003","11.414","0.003","14.79","0.004","90","","90","","90","","1865.4","0.9","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C7 H10 Ag0.5 Cl0.5 N3 O2 -","- C7 H10 Ag0.5 Cl0.5 N3 O2 -","- C56 H80 Ag4 Cl4 N24 O16 -","8","1","","Kil Sik Min; Myunghyun Paik Suh","Silver(I)-Polynitrile Network Solids for Anion Exchange: Anion-Induced Transformation of Supramolecular Structure in the Crystalline State","Journal of the American Chemical Society","2000","122","","6834","6840","10.1021/ja000642m","","","0.71069","MoKα","","0.0611","0.0545","","","0.1455","0.1506","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116095","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","","Ivor Bull; Luis A. Villaescusa; Simon J. Teat; Miguel A. Camblor; Paul A. Wright; Philip Lightfoot; Russell E. Morris","Imposition of Polarity on a Centrosymmetric Zeolite Host: The Effect of Fluoride Ions on Template Ordering in Zeolite IFR","Journal of the American Chemical Society","2000","122","","7128","7129","10.1021/ja000885e","","","0.6994","","","0.0577","0.0525","","","0.1316","0.135","","","","","","1.05","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116096","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","","Ivor Bull; Luis A. Villaescusa; Simon J. Teat; Miguel A. Camblor; Paul A. Wright; Philip Lightfoot; Russell E. Morris","Imposition of Polarity on a Centrosymmetric Zeolite Host: The Effect of Fluoride Ions on Template Ordering in Zeolite IFR","Journal of the American Chemical Society","2000","122","","7128","7129","10.1021/ja000885e","","","0.6448","","","0.0505","0.0479","","","0.1294","0.1325","","","","","","1.096","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116097","5.5295","0.0004","7.6073","0.0005","16.6967","0.0012","89.053","0.001","80.533","0.001","69.071","0.001","646.39","0.08","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Au N S -","- C12 H16 Au N S -","- C24 H32 Au2 N2 S2 -","2","1","","Robert E. Bachman; Sheri A. Bodolosky-Bettis; Shana C. Glennon; Scott A. Sirchio","Formation of a Novel Luminescent Form of Gold(I) Phenylthiolate via Self-Assembly and Decomposition of Isonitrilegold(I) Phenylthiolate Complexes","Journal of the American Chemical Society","2000","122","","7146","7147","10.1021/ja000973z","","","0.71073","MoKα","","0.0615","0.0433","","","0.0966","0.1055","","","","","","1.035","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116098","5.4405","0.0004","7.5603","0.0005","18.7189","0.0012","87.657","0.001","87.101","0.001","70.421","0.001","724.26","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Au N S -","- C14 H20 Au N S -","- C28 H40 Au2 N2 S2 -","2","1","","Robert E. Bachman; Sheri A. Bodolosky-Bettis; Shana C. Glennon; Scott A. Sirchio","Formation of a Novel Luminescent Form of Gold(I) Phenylthiolate via Self-Assembly and Decomposition of Isonitrilegold(I) Phenylthiolate Complexes","Journal of the American Chemical Society","2000","122","","7146","7147","10.1021/ja000973z","","","0.71073","MoKα","","0.0429","0.0324","","","0.0674","0.0686","","","","","","0.865","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116099","10.947","0.006","11.741","0.006","10.054","0.005","107.12","0.03","91.96","0.01","80.51","0.03","1217.9","1.1","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cl Fe N4 O7 -","- C24 H18 Cl Fe N4 O7 -","- C48 H36 Cl2 Fe2 N8 O14 -","2","1","","Shinya Hayami; Zhong-ze Gu; Motoo Shiro; Yasuaki Einaga; Akira Fujishima; Osamu Sato","First Observation of Light-Induced Excited Spin State Trapping for an Iron(III) Complex","Journal of the American Chemical Society","2000","122","","7126","7127","10.1021/ja001406e","","","0.7107","MoKα","","","0.0725","","","","0.1004","","","","","","1.183","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116100","13.43","0.003","18.333","0.004","17.118","0.003","90","","94.86","0.03","90","","4199.5","1.5","203","2","200","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C76 H110 Al14 Cl Si -","- C76 H110.12 Al14 Cl Si -","- C152 H220.24 Al28 Cl2 Si2 -","2","0.25","","Andreas Purath; Carsten Dohmeier; Achim Ecker; Ralf Köppe; Harald Krautscheid; Hansgeorg Schnöckel; Reinhart Ahlrichs; Carsten Stoermer; Jochen Friedrich; Peter Jutzi","Synthesis and Structure of a Neutral SiAl14 Cluster","Journal of the American Chemical Society","2000","122","","6955","6959","10.1021/ja991890p","","","0.71073","MoKa=20","","0.098","0.0654","","0.1721","0.156","","","","0.985","1.108","1.108","","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116101","7.827","0.001","12.774","0.001","17.353","0.001","90","","90","","90","","1735","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2(S)-amino-3-(1H-imidazol-4(5)-yl)propyl cyclohexylmethyl ether dihydrochloride","","- C13 H25 Cl2 N3 O -","- C13 H25 Cl2 N3 O -","- C52 H100 Cl8 N12 O4 -","4","1","","Jari T. Kovalainen; Johannes A. M. Christiaans; Risto Ropponen; Antti Poso; Mikael Peräkylä; Jouko Vepsäläinen; Reino Laatikainen; Jukka Gynther","A Proton Relay Process as the Mechanism of Activation of the Histamine H3-Receptor Determined by 1H NMR and ab Initio Quantum Mechanical Calculations","Journal of the American Chemical Society","2000","122","","6989","6996","10.1021/ja993322f","","","0.71073","MoKα","","0.0932","0.0492","","","0.081","0.0923","","","","","","1.025","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116102","7.554","0.001","12.998","0.001","17.782","0.001","90","","90","","90","","1746","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2(S)-amino-3-(1H-imidazol-4(5)-yl)propyl 4-bromobenzyl ether dihydrochloride","","- C13 H18 Br Cl2 N3 O -","- C13 H18 Br Cl2 N3 O -","- C52 H72 Br4 Cl8 N12 O4 -","4","1","","Jari T. Kovalainen; Johannes A. M. Christiaans; Risto Ropponen; Antti Poso; Mikael Peräkylä; Jouko Vepsäläinen; Reino Laatikainen; Jukka Gynther","A Proton Relay Process as the Mechanism of Activation of the Histamine H3-Receptor Determined by 1H NMR and ab Initio Quantum Mechanical Calculations","Journal of the American Chemical Society","2000","122","","6989","6996","10.1021/ja993322f","","","0.71073","MoKα","","0.0875","0.0496","","","0.0806","0.0914","","","","","","1.058","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116103","13.2095","0.0005","23.9347","0.0005","25.5398","0.001","90","","90","","90","","8074.8","0.5","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H26 B Cl8 Cu F4 N4 -","- C34 H26 B Cl8 Cu F4 N4 -","- C272 H208 B8 Cl64 Cu8 F32 N32 -","8","1","","Christopher J. Sanders; Kevin M. Gillespie; David Bell; Peter Scott","Structural Origins of a Dramatic Variation in Catalyst Efficiency in Enantioselective Alkene Aziridination: Implications for Design of Ligands Based on Chiral Biaryldiamines","Journal of the American Chemical Society","2000","122","","7132","7133","10.1021/ja994353d","","","0.71073","MoKα","","0.102","0.0895","","","0.264","0.2723","","","","","","2.131","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116104","11.4466","0.0006","18.114","0.0009","19.5085","0.0006","69.387","0.001","78.246","0.001","82.443","0.001","3698.7","0.3","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C75 H82 Cl2 Cu2 F6 N4 O6 S2 -","- C75 H82 Cl2 Cu2 F6 N4 O6 S2 -","- C150 H164 Cl4 Cu4 F12 N8 O12 S4 -","2","1","","Christopher J. Sanders; Kevin M. Gillespie; David Bell; Peter Scott","Structural Origins of a Dramatic Variation in Catalyst Efficiency in Enantioselective Alkene Aziridination: Implications for Design of Ligands Based on Chiral Biaryldiamines","Journal of the American Chemical Society","2000","122","","7132","7133","10.1021/ja994353d","","","0.71073","MoKα","","0.0686","0.0536","","","0.1247","0.1387","","","","","","1.07","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116105","11.537","0.005","12.256","0.005","14.568","0.006","85.023","0.008","72.66","0.008","71.03","0.007","1859.4","1.4","297","2","297","2","","","","","","","","6","P -1","-P 1","2","2a","1,2-bis[6-(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin -2-yl)-2-methyl-1-benzothiophen-3-yl]hexafluorocyclopentene","","- C37 H36 F6 N4 O4 S2 -","- C37 H36 F6 N4 O4 S2 -","- C74 H72 F12 N8 O8 S4 -","2","1","","Kenji Matsuda; Masahiro Irie","A Diarylethene with Two Nitronyl Nitroxides: Photoswitching of Intramolecular Magnetic Interaction","Journal of the American Chemical Society","2000","122","","7195","7201","10.1021/ja000605v","","","0.71073","MoKα","","0.2136","0.0859","","","0.2112","0.2704","","","","","","0.929","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116106","12.2767","0.0018","23.85","0.004","26.549","0.004","90","","90.513","0.003","90","","7773","2","111","2","111","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2b","3,3,4,4,5,5-hexafluoro-11,20-bis(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin-2-yl)-15,16-dimethyl-14,17-dithiahexacyclo[14.7.0.0^2,6^.0^7,15^.0^8,13^.0^18,23^]tricosa-1(2),6(7),8(13),9,11,18(23),19,21-octane","","- C38 H38 Cl2 F6 N4 O4 S2 -","- C38 H38 Cl2 F6 N4 O4 S2 -","- C304 H304 Cl16 F48 N32 O32 S16 -","8","2","","Kenji Matsuda; Masahiro Irie","A Diarylethene with Two Nitronyl Nitroxides: Photoswitching of Intramolecular Magnetic Interaction","Journal of the American Chemical Society","2000","122","","7195","7201","10.1021/ja000605v","","","0.71073","MoKα","","0.1375","0.1153","","","0.2893","0.3026","","","","","","1.177","","","","has coordinates,has disorder","211399","2020-10-21","18:00:00",""
"4116107","11.113","0.001","4.1207","0.0006","19.5511","0.0008","90","","101.064","0.001","90","","878.67","0.15","295.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C48 H32 O4 -","2","0.5","","Yoshihiro Yamaguchi; Shigeya Kobayashi; Tateaki Wakamiya; Yoshio Matsubara; Zen-ichi Yoshida","A Simple Hybrid Cyclyne Consisting of 1,3-Diethynylbenzene and Ether Units: Synthesis and Novel Ag±Induced Cyclization Leading to the Perylene Skeleton Formation","Journal of the American Chemical Society","2000","122","","7404","7405","10.1021/ja000822w","","","0.7107","MoKα","","","0.0512","","","","0.1548","","","","","","1.204","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116108","9.344","0.002","6.3811","0.0009","13.484","0.001","90","","102.601","0.008","90","","784.6","0.2","293.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C48 H32 O4 -","2","0.5","","Yoshihiro Yamaguchi; Shigeya Kobayashi; Tateaki Wakamiya; Yoshio Matsubara; Zen-ichi Yoshida","A Simple Hybrid Cyclyne Consisting of 1,3-Diethynylbenzene and Ether Units: Synthesis and Novel Ag±Induced Cyclization Leading to the Perylene Skeleton Formation","Journal of the American Chemical Society","2000","122","","7404","7405","10.1021/ja000822w","","","0.7107","MoKα","","","0.0501","","","","0.1458","","","","","","1.202","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116109","8.394","0.001","14.177","0.002","8.089","0.002","93.2","0.02","96.77","0.02","98.74","0.01","942.1","0.3","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H42 Ir2 O12 -","- C76 H104 Ir4 O24 -","- C76 H104 Ir4 O24 -","1","0.5","","Takaya Matsumoto; Douglas J. Taube; Roy A. Periana; Henry Taube; Hajime Yoshida","Anti-Markovnikov Olefin Arylation Catalyzed by an Iridium Complex","Journal of the American Chemical Society","2000","122","","7414","7415","10.1021/ja0009830","","","0.7107","MoKα","","0.0349","0.0349","","","0.0375","0.0375","","","","","","0.741","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116110","9.0244","0.0006","13.3106","0.0009","17.907","0.001","90","","102.505","0.001","90","","2100","0.2","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cl Fe N4 O2 -","- C21 H19 Cl Fe N4 O2 -","- C84 H76 Cl4 Fe4 N16 O8 -","4","1","","Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos","Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals","Journal of the American Chemical Society","2000","122","","7503","7517","10.1021/ja000063h","","","0.71073","MoKα","","0.0656","0.034","","","0.0508","0.0528","","","","","","1.177","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116111","9.589","0.003","14.297","0.005","12.09","0.003","90","","93.04","0.02","90","","1655.1","0.9","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Fe2 N6 O10 -","- C30 H30 Fe2 N6 O10 -","- C60 H60 Fe4 N12 O20 -","2","0.5","","Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos","Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals","Journal of the American Chemical Society","2000","122","","7503","7517","10.1021/ja000063h","","","0.71073","MoKα","","0.0835","0.0523","","","0.1379","0.1645","","","","","","1.058","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116112","9.048","0.002","6.237","0.0007","14.285","0.004","90","","107.89","0.02","90","","767.2","0.3","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Fe N2 O6 -","- C14 H16 Fe N2 O6 -","- C28 H32 Fe2 N4 O12 -","2","0.5","","Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos","Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals","Journal of the American Chemical Society","2000","122","","7503","7517","10.1021/ja000063h","","","0.71073","MoKα","","0.0407","0.0267","","","0.0623","0.0643","","","","","","1.08","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116113","5.121","0.003","7.587","0.004","9.193","0.005","75.347","0.009","84.627","0.009","71.767","0.009","328.2","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Fe N2 O6 -","- C12 H12 Fe N2 O6 -","- C12 H12 Fe N2 O6 -","1","0.5","","Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos","Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals","Journal of the American Chemical Society","2000","122","","7503","7517","10.1021/ja000063h","","","0.71073","MoKα","","0.0352","0.033","","","0.089","0.0911","","","","","","1.183","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116114","19.67","0.009","8.913","0.003","9.469","0.004","90","","96.66","0.01","90","","1648.9","1.2","213","2","213","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H30 Fe2 N6 O11 -","- C30 H30 Fe2 N6 O11 -","- C60 H60 Fe4 N12 O22 -","2","0.5","","Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos","Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals","Journal of the American Chemical Society","2000","122","","7503","7517","10.1021/ja000063h","","","0.71073","MoKα","","0.023","0.022","","0.0584","0.0577","","","","1.04","1.041","1.041","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116115","13.7241","0.0003","13.7241","0.0003","18.2281","0.0003","90","","90","","120","","2973.31","0.1","213","2","213","2","","","","","","","","5","P 64","P 64","172","","","","- C20.5 H14.5 Fe N3.5 O6 -","- C20.5 H14.5 Fe N3.5 O6 -","- C123 H87 Fe6 N21 O36 -","6","1","","Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos","Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals","Journal of the American Chemical Society","2000","122","","7503","7517","10.1021/ja000063h","","","0.71073","MoKα","","0.053","0.0405","","","0.1046","0.1155","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116116","17.904","0.0006","24.04","0.001","24.955","0.001","90","","90","","90","","10740.9","0.7","213","2","213","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C26 H22 Fe2 N4 O10 -","- C26 H22 Fe2 N4 O10 -","- C416 H352 Fe32 N64 O160 -","16","0.5","","Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos","Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals","Journal of the American Chemical Society","2000","122","","7503","7517","10.1021/ja000063h","","","0.71073","MoKα","","0.0993","0.0352","","","0.0483","0.0522","","","","","","1.006","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116117","10.464","0.001","12.395","0.001","6.433","0.0006","99.332","0.008","101.209","0.009","95.744","0.008","800.12","0.13","293.2","","293.2","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H30 N4 -","- C44 H30 N4 -","- C44 H30 N4 -","1","0.5","","Koji Kano; Kazuya Fukuda; Hideo Wakami; Ryuhei Nishiyabu; Robert F. Pasternack","Factors Influencing Self-Aggregation Tendencies of Cationic Porphyrins in Aqueous Solution","Journal of the American Chemical Society","2000","122","","7494","7502","10.1021/ja000738g","","","0.7107","MoK\Ja","","0.0437","0.044","","0.044","","0.044","","","1.144","","","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116118","37.314","0.004","5.008","0.005","25.474","0.005","90","","127.184","0.007","90","","3793","4","293.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 Cl4 N4 -","- C40 H50 Cl4 N4 -","- C160 H200 Cl16 N16 -","4","0.5","","Koji Kano; Kazuya Fukuda; Hideo Wakami; Ryuhei Nishiyabu; Robert F. Pasternack","Factors Influencing Self-Aggregation Tendencies of Cationic Porphyrins in Aqueous Solution","Journal of the American Chemical Society","2000","122","","7494","7502","10.1021/ja000738g","","","0.7107","MoKα","","","0","","","","0.051","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116119","10.6911","0.0005","24.4434","0.0011","29.7425","0.0013","90","","90","","90","","7772.5","0.6","91","2","91","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Rh2(TBSP)4(DMF)2].0.5toluene.0.5n-pentane","tetrakis[1-[(4-tert-butylphenyl)sulfonyl] -(2S)-pyrrolidinecarboxylate]dirhodium(II)","","- C72 H104 N6 O18 Rh2 S4 -","- C72 H104 N6 O18 Rh2 S4 -","- C288 H416 N24 O72 Rh8 S16 -","4","1","","Dolores C. Wynne; Marilyn M. Olmstead; Philip G. Jessop","Supercritical and Liquid Solvent Effects on the Enantioselectivity of Asymmetric Cyclopropanation with Tetrakis[1-[(4-tert-butylphenyl)- sulfonyl]-(2S)-pyrrolidinecarboxylate]dirhodium(II)","Journal of the American Chemical Society","2000","122","","7638","7647","10.1021/ja000894n","","","0.71073","MoKα","","0.131","0.059","","","0.1096","0.1306","","","","","","0.902","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116120","8.0696","0.0006","9.8315","0.0007","10.8759","0.0008","73.119","0.001","72.563","0.001","66.184","0.001","738.79","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","2(1a).2(2a)","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","","Leonard R. MacGillivray; Jennifer L. Reid; John A. Ripmeester","Supramolecular Control of Reactivity in the Solid State Using Linear Molecular Templates","Journal of the American Chemical Society","2000","122","","7817","7818","10.1021/ja001239i","","","0.7107","MoKα","","0.0952","0.0542","","0.1463","0.125","","","","1.034","1.111","1.111","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116121","11.366","0.0014","9.7488","0.0013","14.273","0.002","90","","111.668","0.003","90","","1469.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2(1a).3a","","","- C36 H32 N4 O4 -","- C36 H32 N4 O4 -","- C72 H64 N8 O8 -","2","0.5","","Leonard R. MacGillivray; Jennifer L. Reid; John A. Ripmeester","Supramolecular Control of Reactivity in the Solid State Using Linear Molecular Templates","Journal of the American Chemical Society","2000","122","","7817","7818","10.1021/ja001239i","","","0.7107","MoKα","","0.1274","0.0635","","0.1585","0.1288","","","","1.022","1.151","1.151","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116122","9.5735","0.0006","11.3886","0.0007","15.0387","0.0009","90","","94.317","0.001","90","","1635","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2(1b).2(2a)","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Leonard R. MacGillivray; Jennifer L. Reid; John A. Ripmeester","Supramolecular Control of Reactivity in the Solid State Using Linear Molecular Templates","Journal of the American Chemical Society","2000","122","","7817","7818","10.1021/ja001239i","","","0.7107","MoKα","","0.038","0.0325","","0.0858","0.0824","","","","1.084","1.125","1.125","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116123","7.4833","0.0007","10.0186","0.001","10.5994","0.001","79.811","0.002","73.146","0.002","77.686","0.002","737.38","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","2(1a).2(2b)","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","","Leonard R. MacGillivray; Jennifer L. Reid; John A. Ripmeester","Supramolecular Control of Reactivity in the Solid State Using Linear Molecular Templates","Journal of the American Chemical Society","2000","122","","7817","7818","10.1021/ja001239i","","","0.7107","MoKα","","0.0794","0.0659","","0.2004","0.1819","","","","0.906","0.959","0.959","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116124","9.4598","0.001","9.4703","0.001","13.7442","0.0014","83.164","0.002","72.181","0.002","67.893","0.002","1086","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","2(1b).2(2c)","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C54 H48 N4 O6 -","2","1","","Leonard R. MacGillivray; Jennifer L. Reid; John A. Ripmeester","Supramolecular Control of Reactivity in the Solid State Using Linear Molecular Templates","Journal of the American Chemical Society","2000","122","","7817","7818","10.1021/ja001239i","","","0.7107","MoKα","","0.1101","0.0594","","0.1824","0.1514","","","","0.84","0.976","0.976","","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116125","15.639","0.003","15.996","0.003","16.538","0.003","82.77","0.03","61.95","0.03","60.97","0.03","3164.3","1.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Anilinium Tetrakis[benzilato(2-)-O1,O2]-my-oxo-disilicate-Diacetonitrile","","- C72 H62 N4 O13 Si2 -","- C72 H62 N4 O13 Si2 -","- C144 H124 N8 O26 Si4 -","2","1","","Reinhold Tacke; Christian Burschka; Ingo Richter; Brigitte Wagner; Reiner Willeke","Pentacoordinate Silicon Compounds with SiO5Skeletons Containing SiOH or SiOSi Groups: Derivatives of the Pentahydroxosilicate(1-) Anion [Si(OH)5]-and Its Anhydride [(HO)4Si-O-Si(OH)4]2-","Journal of the American Chemical Society","2000","122","","8480","8485","10.1021/ja000637i","","","0.71073","MoKα","","0.0581","0.0346","","","0.0759","0.0822","","","","","","0.886","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116126","10.863","0.002","11.12","0.002","14.495","0.003","82.02","0.03","86.46","0.03","64.36","0.03","1563.2","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Triethylammonium Bis[benzilato(2-)-O1,O2]hydroxosilicate","","- C34 H37 N O7 Si -","- C34 H37 N O7 Si -","- C68 H74 N2 O14 Si2 -","2","1","","Reinhold Tacke; Christian Burschka; Ingo Richter; Brigitte Wagner; Reiner Willeke","Pentacoordinate Silicon Compounds with SiO5Skeletons Containing SiOH or SiOSi Groups: Derivatives of the Pentahydroxosilicate(1-) Anion [Si(OH)5]-and Its Anhydride [(HO)4Si-O-Si(OH)4]2-","Journal of the American Chemical Society","2000","122","","8480","8485","10.1021/ja000637i","","","0.71073","MoKα","","0.0656","0.0479","","","0.12","0.1284","","","","","","0.955","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116127","11.3633","0.0014","12.5129","0.0013","11.8372","0.0014","90","","91.155","0.015","90","","1682.8","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Anilinium Bis[benzilato(2-)-O1,O2]hydroxosilicate-Tetrahydrofuran","","- C38 H37 N O8 Si -","- C38 H37 N O8 Si -","- C76 H74 N2 O16 Si2 -","2","1","","Reinhold Tacke; Christian Burschka; Ingo Richter; Brigitte Wagner; Reiner Willeke","Pentacoordinate Silicon Compounds with SiO5Skeletons Containing SiOH or SiOSi Groups: Derivatives of the Pentahydroxosilicate(1-) Anion [Si(OH)5]-and Its Anhydride [(HO)4Si-O-Si(OH)4]2-","Journal of the American Chemical Society","2000","122","","8480","8485","10.1021/ja000637i","","","0.71073","MoKα","","0.0519","0.0413","","","0.0991","0.1034","","","","","","0.998","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116128","23.7736","0.0005","33.099","0.0004","28.179","0.0006","90","","108.096","0.001","90","","21076.8","0.7","173","","173","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C102 H94 Cl F6 N4 O15 P4 Pt2 S2 -","- C102 H83 Cl F6 N4 O14 P4 Pt2 S2 -","- C816 H664 Cl8 F48 N32 O112 P32 Pt16 S16 -","8","1","","Nathan C. Gianneschi; Edward R. T. Tiekink; Louis M. Rendina","Dinuclear Platinum Complexes with Hydrogen-Bonding Functionality: Noncovalent Assembly of Nanoscale Cyclic Arrays","Journal of the American Chemical Society","2000","122","","8474","8479","10.1021/ja994483m","","","0.7107","MoKα","","","0.084","","","","0.11","","","","","","2.52","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116129","35.2023","0.0019","6.0715","0.0004","10.471","0.0009","90","","101.414","0.006","90","","2193.7","0.3","571","2","571","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H31 N O4 -","- C21 H31 N O4 -","- C84 H124 N4 O16 -","4","1","","James D. White; Jungchul Kim; Nicholas E. Drapela","Enantiospecific Synthesis of (+)-Byssochlamic Acid, a Nonadride from the Ascomycete Byssochlamysfulva","Journal of the American Chemical Society","2000","122","","8665","8671","10.1021/ja001898v","","","1.54178","CuKα","","0.0502","0.044","","","0.1145","0.1238","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116130","5.999","0.002","11.212","0.002","13.274","0.003","98.53","0.01","91.64","0.02","96.5","0.02","876.3","0.4","566","2","566","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H27 N O4 -","- C16 H27 N O4 -","- C32 H54 N2 O8 -","2","1","","James D. White; Jungchul Kim; Nicholas E. Drapela","Enantiospecific Synthesis of (+)-Byssochlamic Acid, a Nonadride from the Ascomycete Byssochlamysfulva","Journal of the American Chemical Society","2000","122","","8665","8671","10.1021/ja001898v","","","1.54178","CuKα","","0.0948","0.0803","","","0.2339","0.2555","","","","","","1.78","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116131","9.552","0.002","14.509","0.003","17.781","0.002","90","0.014","90","0.014","90","0.02","2464.3","0.8","293","2","293","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","3',4'-Bis(n-hexyl)-2,2':5',2''-terthiophene 1',1'-dioxide","","- C24 H32 O2 S3 -","- C24 H32 O2 S3 -","- C96 H128 O8 S12 -","4","1","","Luciano Antolini; Emilio Tedesco; Giovanna Barbarella; Laura Favaretto; Giovanna Sotgiu; Massimo Zambianchi; Daniele Casarini; Giuseppe Gigli; Roberto Cingolani","Molecular Packing and Photoluminescence Efficiency in Odd-Membered Oligothiophene S,S-Dioxides","Journal of the American Chemical Society","2000","122","","9006","9013","10.1021/ja000834h","","","0.71069","MoKα","","0.1354","0.0664","","0.1856","0.1591","","","","0.991","1.184","1.184","","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116132","15.287","0.002","8.518","0.003","23.425","0.003","90","0.02","90.625","0.01","90","0.02","3050.1","1.2","200","1","200","1","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","3'',4''-Bis(n-hexyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene 1'',1''-dioxide","","- C32 H36 O2 S5 -","- C32 H36 O2 S5 -","- C128 H144 O8 S20 -","4","1","","Luciano Antolini; Emilio Tedesco; Giovanna Barbarella; Laura Favaretto; Giovanna Sotgiu; Massimo Zambianchi; Daniele Casarini; Giuseppe Gigli; Roberto Cingolani","Molecular Packing and Photoluminescence Efficiency in Odd-Membered Oligothiophene S,S-Dioxides","Journal of the American Chemical Society","2000","122","","9006","9013","10.1021/ja000834h","","","0.71069","MoKα","","0.1382","0.0797","","0.2346","0.2057","","","","1.044","1.205","1.205","","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116133","10.614","0.002","13.133","0.002","15.427","0.002","96.67","0.02","109.2","0.02","107.43","0.02","1881.8","0.7","200","1","200","1","","","","","","","synthesis","4","P -1","-P 1","2","","3''',4'''-Bis(n-hexyl)-2,2':5',2'':5'',2''':5''',2'''':5'''',2''''': 5''''',2''''''-heptathiophene 1''',1'''-dioxide","","- C40 H40 O2 S7 -","- C40 H40 O2 S7 -","- C80 H80 O4 S14 -","2","1","","Luciano Antolini; Emilio Tedesco; Giovanna Barbarella; Laura Favaretto; Giovanna Sotgiu; Massimo Zambianchi; Daniele Casarini; Giuseppe Gigli; Roberto Cingolani","Molecular Packing and Photoluminescence Efficiency in Odd-Membered Oligothiophene S,S-Dioxides","Journal of the American Chemical Society","2000","122","","9006","9013","10.1021/ja000834h","","","0.71069","MoKα","","0.097","0.0792","","0.2293","0.2125","","","","1.118","1.189","1.189","","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116134","23.807","0.005","13.334","0.004","11.354","0.006","90","","90","","90","","3604","2","296.2","","296.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H24 O2 -","- C21 H24 O2 -","- C168 H192 O16 -","8","1","","Eiji Shirakawa; Yoshiaki Nakao; Hiroto Yoshida; Tamejiro Hiyama","Nickel-Catalyzed Acylstannylation of 1,3-Dienes: Synthesis and Reaction of ε-Oxoallylstannanes","Journal of the American Chemical Society","2000","122","","9030","9031","10.1021/ja0020409","","","0.7107","MoKα","","","0.043","","","","0.026","","","","","","1.78","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116135","18.7297","0.0006","37.2711","0.0001","7.3366","0.0003","90","","90","","90","","5121.5","0.3","213","2","213","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","(2R,4aS,12aR)-8-Allyloxy-2-(dimethyl-phenyl-silanyl)-4a-methyl-2,3,5,6,12,12a- hexahydro-1H,4aH-chrysene-4,11-dione","","- C30 H34 O3 Si -","- C30 H34 O3 Si -","- C240 H272 O24 Si8 -","8","1","","Brian M. Stoltz; Taichi Kano; E. J. Corey","Enantioselective Total Synthesis of Nicandrenones","Journal of the American Chemical Society","2000","122","","9044","9045","10.1021/ja0024892","","","0.71073","MoKα","","0.1119","0.0609","","","0.1465","0.1779","","","","","","1.044","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116136","10.429","0.002","21.129","0.004","12.695","0.004","90","","106.129","0.014","90","","2687.3","1.1","188","2","188","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C40 H46 Cl3 N12 Ni2 O11 -","- C42.034 H49.966 Cl3 N11.966 Ni2 O17.466 -","- C84.068 H99.932 Cl6 N23.932 Ni4 O34.932 -","2","0.5","","Amy M. Barrios; Stephen J. Lippard","Interaction of Urea with a Hydroxide-Bridged Dinuclear Nickel Center: An Alternative Model for the Mechanism of Urease","Journal of the American Chemical Society","2000","122","","9172","9177","10.1021/ja000202v","","","0.71073","MoKα","","0.1219","0.0659","","","0.1658","0.1902","","","","","","1.122","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116137","13.52","0.014","12.434","0.009","31.21","0.03","90","","100.938","0.011","90","","5151","8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H51 N7 Ni2 O11 S2 -","- C51 H52 N7 Ni2 O12 S2 -","- C204 H208 N28 Ni8 O48 S8 -","4","1","","Amy M. Barrios; Stephen J. Lippard","Interaction of Urea with a Hydroxide-Bridged Dinuclear Nickel Center: An Alternative Model for the Mechanism of Urease","Journal of the American Chemical Society","2000","122","","9172","9177","10.1021/ja000202v","","","0.71073","MoKα","","0.1321","0.0598","","","0.1429","0.1586","","","","","","0.874","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116138","14.91","0.003","24.128","0.002","10.014","0.002","90","","90","","90","","3602.5","1.1","294.2","","294.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 B Mo N6 O3 P -","- C30 H48 B Mo N6 O3 P -","- C120 H192 B4 Mo4 N24 O12 P4 -","4","1","","Paul D. Smith; Andrew J. Millar; Charles G. Young; Amit Ghosh; Partha Basu","Detection, Isolation, and Characterization of Intermediates in Oxygen Atom Transfer Reactions in Molybdoenzyme Model Systems","Journal of the American Chemical Society","2000","122","","9298","9299","10.1021/ja0008362","","","0.7107","MoKα","","","0.0388","","","","0.0469","","","","","","1.657","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116139","6.4928","0.0001","6.06","0.0002","7.803","0.0003","90","","90","","90","","307.02","0.016","130","2","130","2","","","","","","","Fluka","3","P b c a","-P 2ac 2ab","61","Oxalic acid","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0455","0.0415","","0.1066","0.1046","","","","1.193","1.248","1.248","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116140","5.1604","0.0006","5.3319","0.0005","8.1838","0.0009","108.083","0.002","101.28","0.002","95.23","0.002","207.11","0.04","130","2","130","2","","","","","","","Fluka","3","P -1","-P 1","2","Malonic acid","Propane-1,3-dioic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0891","0.0755","","0.1963","0.1864","","","","1.005","1.131","1.131","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116141","5.4769","0.0004","8.7817","0.0007","5.028","0.0003","90","","92.928","0.002","90","","241.51","0.03","130","2","130","2","","","","","","","Fluka","3","P 1 21/c 1","-P 2ybc","14","Succinic acid","Butane-1,4-dioic acid","","- C4 H6 O4 -","- C2 H3 O2 -","- C8 H12 O8 -","4","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0519","0.0487","","0.1323","0.1295","","","","1.139","1.182","1.182","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116142","12.9769","0.0006","4.7484","0.0002","9.6955","0.0004","90","","98.304","0.002","90","","591.17","0.04","130","2","130","2","","","","","","","Fluka","3","C 1 2/c 1","-C 2yc","15","Glutaric acid","Pentane-1,5-dioic acid","","- C5 H8 O4 -","- C2.5 H4 O2 -","- C20 H32 O16 -","8","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0589","0.0464","","0.1253","0.1162","","","","0.99","1.062","1.062","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116143","7.187","0.0014","5.1626","0.0011","10.015","0.002","90","","110.856","0.006","90","","347.25","0.12","130","2","130","2","","","","","","","fluka","3","P 1 21/c 1","-P 2ybc","14","Adipic acid","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0951","0.0683","","0.2354","0.1932","","","","1.133","1.107","1.107","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116144","17.7028","0.0009","4.727","0.0002","9.6713","0.0004","90","","106.58","0.001","90","","775.66","0.06","130","2","130","2","","","","","","","Fluka","3","C 1 2/c 1","-C 2yc","15","Pimelic acid","Heptane-1,7-dioic acid","","- C7 H14 O4 -","- C3.5 H6 O2 -","- C28 H48 O16 -","8","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0621","0.0507","","0.127","0.1207","","","","0.979","1.094","1.094","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116145","8.7912","0.0007","5.0681","0.0004","9.8995","0.0008","90","","96.083","0.002","90","","438.59","0.06","130","2","130","2","","","","","","","Fluka","3","P 1 21/c 1","-P 2ybc","14","Suberic acid","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C4 H7 O2 -","- C16 H28 O8 -","4","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0679","0.0525","","0.1315","0.1231","","","","1.068","1.163","1.163","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116146","22.6366","0.0001","4.7143","0.0001","9.6162","0.0003","90","","110.809","0.002","90","","959.26","0.04","130","2","130","2","","","","","","","Fluka","3","C 1 2/c 1","-C 2yc","15","Azelaic acid","Nonane-1,9-dioic acid","","- C9 H16 O4 -","- C4.5 H8 O2 -","- C36 H64 O16 -","8","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0701","0.0454","","0.1187","0.108","","","","0.997","1.096","1.096","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116147","10.9106","0.0004","5.0109","0.0002","9.7936","0.0001","90","","93.451","0.001","90","","534.46","0.03","130","2","130","2","","","","","","","Fluka","3","P 1 21/c 1","-P 2ybc","14","Sebacic acid","Decane-1,10-dioic acid","","- C10 H18 O4 -","- C5 H9 O2 -","- C20 H36 O8 -","4","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0775","0.0552","","0.1431","0.1322","","","","0.968","1.097","1.097","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116148","6.5594","0.0005","6.094","0.0005","7.8524","0.0006","90","","90","","90","","313.88","0.04","298","2","298","2","","","","","","","Fluka","3","P b c a","-P 2ac 2ab","61","Oxalic acid","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C H O2 -","- C8 H8 O16 -","8","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.036","0.0343","","0.0932","0.0925","","","","1.111","1.162","1.162","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116149","5.1626","0.0006","5.3452","0.0006","8.4162","0.0012","108.516","0.002","100.603","0.002","94.954","0.001","213.84","0.05","298","2","298","2","","","","","","","Fluka","3","P -1","-P 1","2","Malonic acid","Propane-1,3-dioic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.046","0.0416","","0.1214","0.1142","","","","1.046","1.08","1.08","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116150","5.5261","0.0004","8.8807","0.0006","5.1051","0.0004","90","","91.49","0.002","90","","250.45","0.03","298","2","298","2","","","","","","","Fluka","3","P 1 21/c 1","-P 2ybc","14","Succinic acid","Butane-1,4-dioic acid","","- C4 H6 O4 -","- C2 H3 O2 -","- C8 H12 O8 -","4","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0457","0.0423","","0.1143","0.1123","","","","1.105","1.171","1.171","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116151","12.968","0.003","4.8296","0.0012","9.982","0.002","90","","96.872","0.006","90","","620.7","0.2","298","2","298","2","","","","","","","Fluka","3","C 1 2/c 1","-C 2yc","15","Glutaric acid","Pentane-1,5-dioic acid","","- C5 H8 O4 -","- C2.5 H4 O2 -","- C20 H32 O16 -","8","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0471","0.0415","","0.1267","0.1196","","","","1.046","1.109","1.109","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116152","7.3712","0.0002","5.154","0.0002","10.1449","0.0004","90","","112.36","0.002","90","","356.44","0.02","298","2","298","2","","","","","","","fluka","3","P 1 21/c 1","-P 2ybc","14","Adipic acid","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C3 H5 O2 -","- C12 H20 O8 -","4","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0751","0.0526","","0.1466","0.1299","","","","0.972","1.08","1.08","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116153","5.6482","0.0004","9.6538","0.0006","16.0217","0.0011","90","","108.018","0.001","90","","830.77","0.1","298","2","298","2","","","","","","","Fluka","3","P 1 21/c 1","-P 2ybc","14","Pimelic acid","Heptane-1,7-dioic acid","","- C7 H14 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.1023","0.0645","","0.1831","0.1534","","","","0.9","1.076","1.076","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116154","17.6631","0.0011","4.789","0.0003","9.8882","0.0007","90","","105.612","0.002","90","","805.57","0.09","298","2","298","2","","","","","","","Fluka","3","C 1 2/c 1","-C 2yc","15","Pimelic acid","Heptane-1,7-dioic acid","","- C7 H14 O4 -","- C3.5 H6 O2 -","- C28 H48 O16 -","8","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0599","0.0502","","0.1438","0.129","","","","1.03","1.116","1.116","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116155","8.98","0.004","5.063","0.0014","10.106","0.003","90","","98.18","0.04","90","","454.8","0.3","298","2","298","2","","","","","","","Fluka","3","P 1 21/c 1","-P 2ybc","14","Suberic acid","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C4 H7 O2 -","- C16 H28 O8 -","4","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0725","0.0582","","0.1475","0.1396","","","","0.911","1.053","1.053","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116156","22.593","0.002","4.7804","0.0005","9.8445","0.001","90","","109.934","0.002","90","","999.54","0.17","298","2","298","2","","","","","","","Fluka","3","C 1 2/c 1","-C 2yc","15","Azelaic acid","Nonane-1,9-dioic acid","","- C9 H16 O4 -","- C4.5 H8 O2 -","- C36 H64 O16 -","8","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.094","0.0498","","0.1454","0.1179","","","","0.888","1.083","1.083","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116157","10.6208","0.0006","18.2546","0.0011","24.4927","0.0014","90","","100.601","0.0011","90","","4667.6","0.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H65 Al2 N3 O P2 Si2 -","- C46 H65 Al2 N3 O P2 Si2 -","- C184 H260 Al8 N12 O4 P8 Si8 -","4","1","","Kasani Aparna; Robert McDonald; Ronald G. Cavell","Carbon-Carbon Double Bond Formation Reactions of the Unique Spirocyclic Aluminum Bis(iminophosphorano) Methandiide Complex: Insertion of Heteroallenes into Aluminum-Carbon Bonds","Journal of the American Chemical Society","2000","122","","9314","9315","10.1021/ja001445q","","","0.71073","MoKα","","0.0595","0.0412","","","0.1102","0.1178","","","","","","1.038","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116158","12.4477","0.0009","13.2048","0.0009","18.2357","0.0013","91.0447","0.0013","101.967","0.0013","109.623","0.0012","2749.4","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H80 Al2 N4 P2 Si2 -","- C55 H80 Al2 N4 P2 Si2 -","- C110 H160 Al4 N8 P4 Si4 -","2","1","","Kasani Aparna; Robert McDonald; Ronald G. Cavell","Carbon-Carbon Double Bond Formation Reactions of the Unique Spirocyclic Aluminum Bis(iminophosphorano) Methandiide Complex: Insertion of Heteroallenes into Aluminum-Carbon Bonds","Journal of the American Chemical Society","2000","122","","9314","9315","10.1021/ja001445q","","","0.71073","MoKα","","0.0625","0.0466","","","0.1322","0.1428","","","","","","1.045","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116159","22.448","0.005","10.029","0.002","9.4089","0.0014","90","","90","","90","","2118.2","0.7","295","2","295","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C20 H26 Al2 N2 -","- C20 H26 Al2 N2 -","- C80 H104 Al8 N8 -","4","0.5","","Zhengkun Yu; Joanne M. Wittbrodt; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Unusually Stable Pyrazolate-Bridged Dialuminum Complexes Containing Bridging Methyl Groups","Journal of the American Chemical Society","2000","122","","9338","9339","10.1021/ja001822z","","","0.71073","MoKα","","0.2015","0.0745","","0.1498","0.1163","","","","1.045","1.31","1.31","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116160","19.4947","0.0001","5.8781","0.0002","17.7056","0.0006","90","","111.701","0.002","90","","1885.12","0.09","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H24 O5 S -","- C18 H24 O5 S -","- C72 H96 O20 S4 -","4","1","","David A. Evans; Tomislav Rovis; Marisa C. Kozlowski; C. Wade Downey; Jason S. Tedrow","Enantioselective Lewis Acid Catalyzed Michael Reactions of Alkylidene Malonates. Catalysis by C2-Symmetric Bis(oxazoline) Copper(II) Complexes in the Synthesis of Chiral, Differentiated Glutarate Esters","Journal of the American Chemical Society","2000","122","","9134","9142","10.1021/ja002246+","","","0.71073","MoKα","","0.0724","0.0615","","","0.1416","0.1447","","","","","","0.975","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116161","13.8276","0.0007","10.7023","0.0005","14.6248","0.0007","90","","112.289","0.001","90","","2002.57","0.17","213","2","213","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C25 H40 Cl2 Cu F12 N2 O6 Sb2 -","- C25 H42 Cl2 Cu F12 N2 O6 Sb2 -","- C50 H84 Cl4 Cu2 F24 N4 O12 Sb4 -","2","1","","David A. Evans; Tomislav Rovis; Marisa C. Kozlowski; C. Wade Downey; Jason S. Tedrow","Enantioselective Lewis Acid Catalyzed Michael Reactions of Alkylidene Malonates. Catalysis by C2-Symmetric Bis(oxazoline) Copper(II) Complexes in the Synthesis of Chiral, Differentiated Glutarate Esters","Journal of the American Chemical Society","2000","122","","9134","9142","10.1021/ja002246+","","","0.71073","MoKα","","0.1357","0.0665","","","0.1681","0.2422","","","","","","0.976","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116162","10.3851","0.0006","14.4993","0.0009","27.0817","0.0017","90","","90","","90","","4077.9","0.4","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 Cu F12 N2 O6 Sb -","- C33 H34 Cu F12 N2 O6 Sb2 -","- C132 H136 Cu4 F48 N8 O24 Sb8 -","4","1","","David A. Evans; Tomislav Rovis; Marisa C. Kozlowski; C. Wade Downey; Jason S. Tedrow","Enantioselective Lewis Acid Catalyzed Michael Reactions of Alkylidene Malonates. Catalysis by C2-Symmetric Bis(oxazoline) Copper(II) Complexes in the Synthesis of Chiral, Differentiated Glutarate Esters","Journal of the American Chemical Society","2000","122","","9134","9142","10.1021/ja002246+","","","0.71073","MoKα","","0.1274","0.071","","","0.1403","0.1633","","","","","","1.093","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116163","26.6894","0.0004","16.0571","0.0003","9.9528","0.0001","90","","90","","90","","4265.32","0.11","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H67 B P5 Re -","- C39 H67 B P5 Re -","- C156 H268 B4 P20 Re4 -","4","0.5","","Kamaluddin Abdur-Rashid; Tina P. Fong; Bronwyn Greaves; Dmitry G. Gusev; Justin G. Hinman; Shaun E. Landau; Alan J. Lough; Robert H. Morris","An Acidity Scale for Phosphorus-Containing Compounds Including Metal Hydrides and Dihydrogen Complexes in THF: Toward the Unification of Acidity Scales","Journal of the American Chemical Society","2000","122","","9155","9171","10.1021/ja994428d","","","0.71073","MoKα","","0.0423","0.0316","","","0.081","0.0863","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116164","9.5274","0.0002","15.7802","0.0004","20.4054","0.0004","90","","76.51","0.001","90","","2983.2","0.11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cr Mn N3 O12 -","- C26 H21.4 Cr Mn N3 O12 -","- C104 H85.6 Cr4 Mn4 N12 O48 -","4","1","","S. Bénard; P. Yu; J. P. Audière; E. Rivière; R. Clément; J. Guilhem; L. Tchertanov; K. Nakatani","Structure and NLO Properties of Layered Bimetallic Oxalato-Bridged Ferromagnetic Networks Containing Stilbazolium-Shaped Chromophores","Journal of the American Chemical Society","2000","122","","9444","9454","10.1021/ja0002619","","","0.71073","MoKα","","0.0673","0.0498","","0.1243","","0.1108","","","1.122","","","1.169","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116165","9.535","0.001","15.89","0.002","18.229","0.002","90","","83.81","0.009","90","","2745.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cr Mn N O13 -","- C25 H24 Cr Mn N O13 -","- C100 H96 Cr4 Mn4 N4 O52 -","4","1","","S. Bénard; P. Yu; J. P. Audière; E. Rivière; R. Clément; J. Guilhem; L. Tchertanov; K. Nakatani","Structure and NLO Properties of Layered Bimetallic Oxalato-Bridged Ferromagnetic Networks Containing Stilbazolium-Shaped Chromophores","Journal of the American Chemical Society","2000","122","","9444","9454","10.1021/ja0002619","","","0.71073","MoKα","","0.067","0.0507","","0.1249","","0.1037","","","1.161","","","1.216","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116166","9.8502","0.0009","9.8632","0.0008","10.0719","0.0009","73.423","0.001","69.357","0.001","61.209","0.001","794.51","0.12","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H54 In2 O6 -","- C24 H54 In2 O6 -","- C24 H54 In2 O6 -","1","0.5","","Seigi Suh; David M. Hoffman","General Synthesis of Homoleptic Indium Alkoxide Complexes and the Chemical Vapor Deposition of Indium Oxide Films","Journal of the American Chemical Society","2000","122","","9396","9404","10.1021/ja000845a","","","0.71073","MoKα","","0.0399","0.0383","","","0.0993","0.1017","","","","","","1.129","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116167","12.1119","0.0006","13.5007","0.0007","45.6039","0.0024","90","","96.723","0.001","90","","7405.8","0.7","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H132 In4 O12 -","- C60 H120 In4 O12 -","- C240 H480 In16 O48 -","4","1","","Seigi Suh; David M. Hoffman","General Synthesis of Homoleptic Indium Alkoxide Complexes and the Chemical Vapor Deposition of Indium Oxide Films","Journal of the American Chemical Society","2000","122","","9396","9404","10.1021/ja000845a","","","0.71073","MoKα","","0.0546","0.0426","","","0.1012","0.1113","","","","","","1.215","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116168","9.8335","0.0006","11.4492","0.0007","15.4315","0.0009","111.581","0.001","90.335","0.001","93.682","0.001","1611.43","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H52 In N4 O3.5 -","- C28 H52 In N4 O3.5 -","- C56 H104 In2 N8 O7 -","2","1","","Seigi Suh; David M. Hoffman","General Synthesis of Homoleptic Indium Alkoxide Complexes and the Chemical Vapor Deposition of Indium Oxide Films","Journal of the American Chemical Society","2000","122","","9396","9404","10.1021/ja000845a","","","0.71073","MoKα","","0.0364","0.0344","","","0.0895","0.0918","","","","","","1.046","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116169","24.1308","0.0013","12.6401","0.0007","32.2968","0.0018","90","","102.835","0.001","90","","9604.9","0.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47.5 H77 In N2 O3 -","- C47.5 H77 In N2 O3 -","- C380 H616 In8 N16 O24 -","8","1","","Seigi Suh; David M. Hoffman","General Synthesis of Homoleptic Indium Alkoxide Complexes and the Chemical Vapor Deposition of Indium Oxide Films","Journal of the American Chemical Society","2000","122","","9396","9404","10.1021/ja000845a","","","0.71073","MoKα","","0.0289","0.0212","","","0.0511","0.0567","","","","","","1.147","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116170","14.4944","0.0008","16.2071","0.0009","12.6679","0.0007","90","","107.677","0.001","90","","2835.3","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H49 In N2 O3 -","- C25 H49 In N2 O3 -","- C100 H196 In4 N8 O12 -","4","1","","Seigi Suh; David M. Hoffman","General Synthesis of Homoleptic Indium Alkoxide Complexes and the Chemical Vapor Deposition of Indium Oxide Films","Journal of the American Chemical Society","2000","122","","9396","9404","10.1021/ja000845a","","","0.71073","MoKα","","0.025","0.0193","","","0.0505","0.0552","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116171","19.6229","0.0011","11.9153","0.0007","19.3","0.0011","90","","98.961","0.001","90","","4457.5","0.4","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H74 In2 O8 -","- C38.08 H74.18 In2.08 O8 -","- C152.32 H296.72 In8.32 O32 -","4","0.5","","Seigi Suh; David M. Hoffman","General Synthesis of Homoleptic Indium Alkoxide Complexes and the Chemical Vapor Deposition of Indium Oxide Films","Journal of the American Chemical Society","2000","122","","9396","9404","10.1021/ja000845a","","","0.71073","MoKα","","0.0417","0.0318","","","0.0809","0.0902","","","","","","1.109","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116172","12.018","0.0014","8.6571","0.0006","13.973","0.002","90","","90","","90","","1453.8","0.3","295","","295","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C13 H15 F3 Mo O3 S -","- C12.5 H14.5 F2.5 Mo0.5 O2.5 S0.5 -","- C50 H58 F10 Mo2 O10 S2 -","4","0.5","","Christoph Balzarek; Timothy J. R. Weakley; David R. Tyler","C-H Bond Activation in Aqueous Solution: Kinetics and Mechanism of H/D Exchange in Alcohols Catalyzed by Molybdocenes","Journal of the American Chemical Society","2000","122","","9427","9434","10.1021/ja001535v","","","0.71073","MoKα","","0.044","0.029","","0.034","","0.033","","","1.51","","","1.59","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116173","12.2333","0.0016","12.779","0.003","14.8254","0.002","89.398","0.016","73.53","0.015","68.792","0.018","2061","0.7","295.2","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Mo O5 S -","- C21 H25 Mo O5 S -","- C84 H100 Mo4 O20 S4 -","4","2","","Christoph Balzarek; Timothy J. R. Weakley; David R. Tyler","C-H Bond Activation in Aqueous Solution: Kinetics and Mechanism of H/D Exchange in Alcohols Catalyzed by Molybdocenes","Journal of the American Chemical Society","2000","122","","9427","9434","10.1021/ja001535v","","","0.71073","MoKα","","0.067","0.042","","0.087","","0.043","","","1.36","","","1.46","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116174","13.4968","0.0008","17.822","0.001","21.321","0.001","78.194","0.001","79.992","0.001","87.845","0.001","4943.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H27 B2 F30 N3 O -","- C49 H27 B2 F30 N3 O -","- C196 H108 B8 F120 N12 O4 -","4","2","","Robert E. LaPointe; Gordon R. Roof; Khalil A. Abboud; Jerzy Klosin","New Family of Weakly Coordinating Anions","Journal of the American Chemical Society","2000","122","","9560","9561","10.1021/ja002664e","","","0.71073","MoKα","","0.0954","0.043","","","0.0889","0.1021","","","","","","0.912","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116175","10.264","0.0005","22.276","0.001","12.4462","0.0006","90","","112.857","0.001","90","","2622.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C49 H27 Al2 F30 N3 O -","- C49.002 H27.01 Al2 F30 N3 O -","- C98.004 H54.02 Al4 F60 N6 O2 -","2","0.5","","Robert E. LaPointe; Gordon R. Roof; Khalil A. Abboud; Jerzy Klosin","New Family of Weakly Coordinating Anions","Journal of the American Chemical Society","2000","122","","9560","9561","10.1021/ja002664e","","","0.71073","MoKα","","0.0694","0.0444","","","0.1188","0.1292","","","","","","1.028","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116176","10.199","0.002","10.631","0.002","14.062","0.002","82.49","0.01","69.358","0.01","83.35","0.01","1410.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H32 N11 O11 Pr -","- C18 H32 N11 O11 Pr -","- C36 H64 N22 O22 Pr2 -","2","1","","Myrtil L. Kahn; Jean-Pascal Sutter; Stephane Golhen; Philippe Guionneau; Lahcene Ouahab; Olivier Kahn; Daniel Chasseau","Systematic Investigations of the Nature of the Coupling between a Ln(III) Ion (Ln = Ce(III) to Dy(III)) and Its Aminoxyl Radical Ligands. Structural and Magnetic Characteristics of a Series of {Ln(organic radical)2} Compounds and the Related {Ln(Nitrone)2} Derivatives [J. Am. Chem. Soc.2000,122, 3413-3421].","Journal of the American Chemical Society","2000","122","","9566","9566","","","","0.71073","MoKα","","0.1004","0.0343","","","0.0699","0.0799","","","","","","1.041","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116177","9.3904","0.0016","11.8641","0.0019","25.019","0.004","90","","90","","90","","2787.3","0.8","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-(2-methyl-5-phenyl-3-thienyl)-2-[2-(3-methyl-1-penten-1-yl) -5-phenyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopentene","","- C32 H26 F6 S2 -","- C32 H26 F6 S2 -","- C128 H104 F24 S8 -","4","1","","Tetsuhiro Kodani; Kenji Matsuda; Taro Yamada; Seiya Kobatake; Masahiro Irie","Reversible Diastereoselective Photocyclization of a Diarylethene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","9631","9637","10.1021/ja001350o","","","0.71073","MoKα","","0.055","0.0464","","","0.1151","0.1205","","","","","","1.048","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116178","9.368","0.001","11.8571","0.0012","24.971","0.003","90","","90","","90","","2773.7","0.5","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-1-(2-methyl-5-phenyl-3-thienyl)-2-[2-(3-methyl-1-penten-1-yl) -5-phenyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopentene","","- C32 H26 F6 S2 -","- C32 H26 F6 S2 -","- C128 H104 F24 S8 -","4","1","","Tetsuhiro Kodani; Kenji Matsuda; Taro Yamada; Seiya Kobatake; Masahiro Irie","Reversible Diastereoselective Photocyclization of a Diarylethene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","9631","9637","10.1021/ja001350o","","","0.71073","MoKα","","0.0574","0.0462","","","0.109","0.1149","","","","","","1.041","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116179","9.399","0.002","11.866","0.003","24.972","0.006","90","","90","","90","","2785.1","1.1","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-(2-methyl-5-phenyl-3-thienyl)-2-[2-(3-methyl-1-penten-1-yl) -5-phenyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopentene","","- C32 H26 F6 S2 -","- C32 H26 F6 S2 -","- C128 H104 F24 S8 -","4","1","","Tetsuhiro Kodani; Kenji Matsuda; Taro Yamada; Seiya Kobatake; Masahiro Irie","Reversible Diastereoselective Photocyclization of a Diarylethene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","9631","9637","10.1021/ja001350o","","","0.71073","MoKα","","0.1184","0.066","","","0.1529","0.1781","","","","","","0.891","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116180","13.5363","0.0002","15.322","0.0002","17.8722","0.0003","90","","90","","90","","3706.75","0.1","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H46 F6 Fe P3 Rh -","- C37 H46 F6 Fe P3 Rh -","- C148 H184 F24 Fe4 P12 Rh4 -","4","1","","Ken Tanaka; Shuang Qiao; Mamoru Tobisu; Michael M.-C. Lo; Gregory C. Fu","Enantioselective Isomerization of Allylic Alcohols Catalyzed by a Rhodium/Phosphaferrocene Complex","Journal of the American Chemical Society","2000","122","","9870","9871","10.1021/ja002471r","","","0.71073","MoKα","","0.0596","0.0463","","0.1357","0.0911","","","","1.127","1.094","1.094","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116181","10.42","0.002","17.208","0.004","7.519","0.002","90","","90","","90","","1348.2","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Masami Sakamoto; Norio Sekine; Hiroko Miyoshi; Takashi Mino; Tsutomu Fujita","Absolute Asymmetric Phthalide Synthesis via the Solid-State Photoreaction of N,N-Disubstituted 2-Benzoylbenzamides Involving a Radical Pair Intermediate","Journal of the American Chemical Society","2000","122","","10210","10211","10.1021/ja001064c","","","1.5418","CuKα","","","0.032","","","0.035","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116182","11.453","0.003","18.572","0.005","8.107","0.002","90","","90","","90","","1724.4","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Masami Sakamoto; Norio Sekine; Hiroko Miyoshi; Takashi Mino; Tsutomu Fujita","Absolute Asymmetric Phthalide Synthesis via the Solid-State Photoreaction of N,N-Disubstituted 2-Benzoylbenzamides Involving a Radical Pair Intermediate","Journal of the American Chemical Society","2000","122","","10210","10211","10.1021/ja001064c","","","1.5418","CuKα","","","0.044","","","0.044","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116183","19.106","0.005","8.019","0.002","11.986","0.003","90","","90.37","0.02","90","","1836.3","0.8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 N O2 -","- C11 H9.5 N0.5 O -","- C44 H38 N2 O4 -","4","2","","Masami Sakamoto; Norio Sekine; Hiroko Miyoshi; Takashi Mino; Tsutomu Fujita","Absolute Asymmetric Phthalide Synthesis via the Solid-State Photoreaction of N,N-Disubstituted 2-Benzoylbenzamides Involving a Radical Pair Intermediate","Journal of the American Chemical Society","2000","122","","10210","10211","10.1021/ja001064c","","","1.5418","CuKα","","","0.044","","","0.045","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116184","11.021","0.001","7.43","0.002","13.721","0.002","90","0.02","99.04","0.01","90","0.02","1109.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ag(Py2O)]NO3","","","- C10 H8 Ag N3 O4 -","- C10 H8 Ag N3 O4 -","- C40 H32 Ag4 N12 O16 -","4","1","","Ok-Sang Jung; Yun Ju Kim; Young-A Lee; Jong Ku Park; Hee K. Chae","Smart Molecular Helical Springs as Tunable Receptors","Journal of the American Chemical Society","2000","122","","9921","9925","10.1021/ja001618b","","","0.71073","MoKα","","0.0306","0.0306","","","0.0829","0.0829","","","","","","1.041","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116185","10.483","0.004","8.933","0.001","13.707","0.002","90","0.01","104.72","0.02","90","0.02","1241.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ag(Py2O)]BF4","","","- C10 H8 Ag B F4 N2 O -","- C10 H8 Ag B F4 N2 O -","- C40 H32 Ag4 B4 F16 N8 O4 -","4","1","","Ok-Sang Jung; Yun Ju Kim; Young-A Lee; Jong Ku Park; Hee K. Chae","Smart Molecular Helical Springs as Tunable Receptors","Journal of the American Chemical Society","2000","122","","9921","9925","10.1021/ja001618b","","","0.71073","MoKα","","0.055","0.0547","","","0.147","0.1478","","","","","","1.119","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116186","10.553","0.001","9.034","0.002","13.708","0.002","90","0.02","106.7","0.01","90","0.01","1251.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ag(Py2O)]ClO4","","","- C10 H8 Ag Cl N2 O5 -","- C10 H8 Ag Cl N2 O5 -","- C40 H32 Ag4 Cl4 N8 O20 -","4","1","","Ok-Sang Jung; Yun Ju Kim; Young-A Lee; Jong Ku Park; Hee K. Chae","Smart Molecular Helical Springs as Tunable Receptors","Journal of the American Chemical Society","2000","122","","9921","9925","10.1021/ja001618b","","","0.71073","MoKα","","0.0381","0.0372","","","0.0968","0.0976","","","","","","1.085","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116187","10.575","0.003","9.621","0.002","14.175","0.003","90","0.02","109.8","0.01","90","0.02","1356.9","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ag(Py2O)]PF6","","","- C10 H8 Ag F6 N2 O P -","- C10 H8 Ag F6 N2 O P -","- C40 H32 Ag4 F24 N8 O4 P4 -","4","1","","Ok-Sang Jung; Yun Ju Kim; Young-A Lee; Jong Ku Park; Hee K. Chae","Smart Molecular Helical Springs as Tunable Receptors","Journal of the American Chemical Society","2000","122","","9921","9925","10.1021/ja001618b","","","0.71073","MoKα","","0.0356","0.0352","","","0.0907","0.0911","","","","","","1.217","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116188","19.3462","0.0002","19.3462","0.0002","51.7863","0.0008","90","","90","","120","","16785.6","0.4","138","2","138","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","4","","","- C126 H78 Cl0 N7 O7 P6 Pd2 Tl -","- C125.76 H78 N7 O6.96 P6 Pd2 Tl -","- C754.56 H468 N42 O41.76 P36 Pd12 Tl6 -","6","0.166667","","Vincent J. Catalano; Byron L. Bennett; Renante L. Yson; Bruce C. Noll","Synthesis and Characterization of Pd(0) and Pt(0) Metallocryptands Encapsulating Tl+ Ion","Journal of the American Chemical Society","2000","122","","10056","10062","10.1021/ja001672s","","","0.71073","MoKα","","0.1167","0.0816","","","0.2356","0.2498","","","","","","1.579","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116189","33.6379","0.0005","14.813","0.0001","41.9035","0.0006","90","","107.743","0.001","90","","19886.4","0.4","293","2","138","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","1","","","- C109.25 H63 Cl0.75 N7 O5 P6 Pt2 Tl -","- C109.25 H63 Cl0.75 N7 O5 P6 Pt2 Tl -","- C874 H504 Cl6 N56 O40 P48 Pt16 Tl8 -","8","1","","Vincent J. Catalano; Byron L. Bennett; Renante L. Yson; Bruce C. Noll","Synthesis and Characterization of Pd(0) and Pt(0) Metallocryptands Encapsulating Tl+ Ion","Journal of the American Chemical Society","2000","122","","10056","10062","10.1021/ja001672s","","","0.71073","MoKα","","0.145","0.0642","","","0.1339","0.1606","","","","","","0.966","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116190","19.3694","0.0001","19.3694","0.0001","51.9258","0.0002","90","","90","","120","","16871.2","0.14","138","2","293","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","2","","","- C126 H78 Cl0 N7 O7 P6 Pt2 Tl -","- C125.76 H78 N7 O6.96 P6 Pt2 Tl -","- C754.56 H468 N42 O41.76 P36 Pt12 Tl6 -","6","0.166667","","Vincent J. Catalano; Byron L. Bennett; Renante L. Yson; Bruce C. Noll","Synthesis and Characterization of Pd(0) and Pt(0) Metallocryptands Encapsulating Tl+ Ion","Journal of the American Chemical Society","2000","122","","10056","10062","10.1021/ja001672s","","","0.71073","MoKα","","0.0752","0.0436","","","0.1312","0.1445","","","","","","1.102","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116191","21.1124","0.0008","20.3657","0.0008","26.3042","0.001","90","","102.57","","90","","11038.9","0.7","293","2","138","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","3","","","- C132 H78 F0 N7 O3 P6 Pd2 Tl -","- C132 H78 N7 O3 P6 Pd2 Tl -","- C528 H312 N28 O12 P24 Pd8 Tl4 -","4","0.5","","Vincent J. Catalano; Byron L. Bennett; Renante L. Yson; Bruce C. Noll","Synthesis and Characterization of Pd(0) and Pt(0) Metallocryptands Encapsulating Tl+ Ion","Journal of the American Chemical Society","2000","122","","10056","10062","10.1021/ja001672s","","","0.71073","MoKα","","0.0988","0.0669","","","0.182","0.1984","","","","","","1.045","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116192","8.355","0.002","17.337","0.004","11.351","0.003","90","","96.55","0.02","90","","1633.5","0.7","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H37 Co2 O6 P S -","- C32 H37 Co2 O6 P S -","- C64 H74 Co4 O12 P2 S2 -","2","1","","Xavier Verdaguer; Albert Moyano; Miquel A. Pericàs; Antoni Riera; Miguel Angel Maestro; José Mahía","A New Chiral Bidentate (P,S) Ligand for the Asymmetric Intermolecular Pauson-Khand Reaction","Journal of the American Chemical Society","2000","122","","10242","10243","10.1021/ja001839h","","","0.71073","MoKα","","0.0555","0.0396","","","0.0813","0.0895","","","","","","1.067","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116193","12.793","0.002","13.881","0.002","18.919","0.002","90","","99.501","0.008","90","","3313.5","0.8","296.2","","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Cl F6 N4 O2 P2 Ru -","- C30 H31 Cl F6 N4 O2 P2 Ru -","- C120 H124 Cl4 F24 N16 O8 P8 Ru4 -","4","1","","Dusan Hesek; Guy A. Hembury; Michael G. B. Drew; Seiji Taniguchi; Yoshihisa Inoue","Atropisomer and Diastereomer Generation and Control in Ruthenium Bis(bipyridine) Phosphonite Complexes","Journal of the American Chemical Society","2000","122","","10236","10237","10.1021/ja002117t","","","0.71073","MoKα","","0.0887","0.0432","","","0.1193","0.1402","","","","","","1.016","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116194","12.509","0.014","14.445","0.017","18.52","0.02","90","","100.23","0.01","90","","3293","6","296.2","","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 Cl F6 N4 O3 P2 Ru -","- C29 H31 Cl F6 N4 O3 P2 Ru -","- C116 H124 Cl4 F24 N16 O12 P8 Ru4 -","4","1","","Dusan Hesek; Guy A. Hembury; Michael G. B. Drew; Seiji Taniguchi; Yoshihisa Inoue","Atropisomer and Diastereomer Generation and Control in Ruthenium Bis(bipyridine) Phosphonite Complexes","Journal of the American Chemical Society","2000","122","","10236","10237","10.1021/ja002117t","","","0.71073","MoKα","","0.0724","0.035","","","0.0934","0.1139","","","","","","1.036","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116195","14.612","0.004","14.25","0.006","16.426","0.003","90","","111.269","0.014","90","","3187.3","1.7","296.2","","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Cl F6 N4 O2 P2 Ru -","- C28 H27 Cl F6 N4 O2 P2 Ru -","- C112 H108 Cl4 F24 N16 O8 P8 Ru4 -","4","1","","Dusan Hesek; Guy A. Hembury; Michael G. B. Drew; Seiji Taniguchi; Yoshihisa Inoue","Atropisomer and Diastereomer Generation and Control in Ruthenium Bis(bipyridine) Phosphonite Complexes","Journal of the American Chemical Society","2000","122","","10236","10237","10.1021/ja002117t","","","0.71069","MoKα","","0.1954","0.0511","","","0.1248","0.1677","","","","","","0.948","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116196","14.55","0.002","15.126","0.004","15.9844","0.0016","90","","111.435","0.008","90","","3274.6","1","296.2","","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Cl F6 N4 O2 P2 Ru -","- C28 H27 Cl F6 N4 O2 P2 Ru -","- C112 H108 Cl4 F24 N16 O8 P8 Ru4 -","4","1","","Dusan Hesek; Guy A. Hembury; Michael G. B. Drew; Seiji Taniguchi; Yoshihisa Inoue","Atropisomer and Diastereomer Generation and Control in Ruthenium Bis(bipyridine) Phosphonite Complexes","Journal of the American Chemical Society","2000","122","","10236","10237","10.1021/ja002117t","","","0.71073","MoKα","","0.13","0.0677","","","0.1967","0.2182","","","","","","1.286","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116197","26.711","0.003","26.711","0.003","9.884","0.004","90","","90","","120","","6107","3","128.2","","128.2","","","","","","","","","4","P 61","P 61","169","","","","- C32 H57 N5 O9 -","- C34 H65 N6 O11.5 -","- C204 H390 N36 O69 -","6","1","","Hiroshi Kogen; Toshihiro Kiho; Mizuka Nakayama; Youji Furukawa; Takeshi Kinoshita; Masatoshi Inukai","Crystal Structure and Total Synthesis of Globomycin: Establishment of Relative and Absolute Configurations","Journal of the American Chemical Society","2000","122","","10214","10215","10.1021/ja002547j","","","1.5418","CuKα","","","0.0531","","","0.0703","","","","","1.158","1.158","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116198","10.078","0.001","10.3207","0.0006","10.145","0.001","90","","105.21","0.01","90","","1018.24","0.16","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","cesium_bismuthide","Cs3Bi2","","- Bi2 Cs3 -","- Bi2 Cs3 -","- Bi8 Cs12 -","4","0.5","","Franck Gascoin; Slavi C. Sevov","Synthesis and Characterization of A3Bi2 (A = K, Rb, Cs) with Isolated Diatomic Dianion of Bismuth, [Bi2]2-, and an Extra Delocalized Electron","Journal of the American Chemical Society","2000","122","","10251","10252","10.1021/ja002606t","","","0.71073","MoKα","","0.0693","0.0414","","","0.0824","0.0909","","","","","","1.011","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116199","11.881","0.001","7.921","0.001","12.893","0.007","90","0","91.1","0.03","90","0","1213.1","0.7","295","","295","","","","","","","","......","4","P 1 21/c 1","-P 2ybc","14","","3-[1-(Phenylamino) ethylidene]-6-methyl-3H-pyran-2,4-dione","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","0.71069","MoKα","","","0.044","","","","0.06","","","","","","2.02","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116200","11.82","0.001","7.713","0.001","12.974","0.001","90","","91.12","0.01","90","","1182.6","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[1-(Phenylamino) ethylidene]-6-methyl-3H-pyran-2,4-dione","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","1.5418","CuKα","","0.0404","0.04","","0.1025","0.1022","","","","1.163","1.173","1.173","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116201","12.982","0.002","7.68","0.002","14.015","0.001","90","0","107.53","0.05","90","0","1332.4","0.6","295","","295","","","","","","","","......","4","P 1 21/a 1","-P 2yab","14","","3-[1-(4-Methoxyphenylamino) ethylidene]-6-methyl-3H-pyran-2,4-dione","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","0.71069","MoKα","","","0.046","","","","0.057","","","","","","1.79","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116202","12.999","0.002","7.547","0.001","13.974","0.002","90","","107.69","0.01","90","","1306.1","0.3","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-[1-(4-Methoxyphenylamino) ethylidene]-6-methyl-3H-pyran-2,4-dione","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","1.54178","CuKα","","0.0454","0.0436","","0.1246","0.1219","","","","1.11","1.119","1.119","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116203","7.401","0.001","8.364","0.002","10.683","0.002","97.51","0.01","103.45","0.01","92.69","0.01","635.6","0.2","295","","295","","","","","","","","......","5","P -1","-P 1","2","","3-[1-(4-Chlorophenylamino) ethylidene]-6-methyl-3H-pyran-2,4-dione","","- C14 H12 Cl N O3 -","- C14 H12 Cl N O3 -","- C28 H24 Cl2 N2 O6 -","2","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","0.71069","MoKα","","","0.043","","","","0.062","","","","","","2.14","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116204","7.3373","0.0005","8.2919","0.0005","10.59","0.009","98.525","0.009","102.805","0.005","91.989","0.007","619.8","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","3-[1-(4-Chlorophanylamino) ethylidene]-6-methyl-3H-pyran-2,4-dione","","- C14 H12 Cl N O3 -","- C14 H12 Cl N O3 -","- C28 H24 Cl2 N2 O6 -","2","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","1.54178","CuKα","","0.036","0.0359","","0.1074","0.1074","","","","1.162","1.164","1.164","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116205","13.21","0.004","14.666","0.002","10.13","0.003","90","0","92.46","0.02","90","0","1960.8","0.9","295","","295","","","","","","","","......","4","C 1 2/c 1","-C 2yc","15","","N,N'-3-Azapentane-1,5-bis[3-(1-aminoethylidene)-6-methyl-3H-pyran- 2,4-dione]","","- C20 H25 N3 O6 -","- C20 H25 N3 O6 -","- C80 H100 N12 O24 -","4","0.5","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","0.71069","MoKα","","","0.046","","","","0.059","","","","","","1.96","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116206","8.934","0.002","10.93","0.001","8.044","0.003","106.24","0.02","114.49","0.02","83.28","0.01","686.3","0.3","295","","295","","","","","","","","......","4","P -1","-P 1","2","","3-(3-methoxyphenylamino)-5,5-dimethyl-2-nitroso-2-cyclohexen-1-one","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C30 H36 N4 O6 -","2","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","0.71069","MoKα","","","0.042","","","","0.054","","","","","","1.76","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116207","7.502","0.001","12.181","0.003","10.846","0.001","90","0","100.44","0.01","90","0","974.7","0.3","295","","295","","","","","","","","......","4","P 1 21/c 1","-P 2ybc","14","","o-Acetoacetotoluidide","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","0.71069","MoKα","","","0.044","","","","0.053","","","","","","1.7","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116208","6.727","0.002","21.286","0.003","7.99","0.001","90","0","113.7","0.02","90","0","1047.6","0.4","295","","295","","","","","","","","......","4","P 1 21/a 1","-P 2yab","14","","o-Acetoacetanisidide","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Paola Gilli; Valerio Bertolasi; Valeria Ferretti; Gastone Gilli","Evidence for Intramolecular N-H...O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation","Journal of the American Chemical Society","2000","122","","10405","10417","10.1021/ja000921+","","","0.71069","MoKα","","","0.042","","","","0.057","","","","","","1.92","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116209","11.392","0.005","11.392","0.005","3.938","0.003","90","","90","","120","","442.6","0.4","293","2","293","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","Ba2NiSi3","","- Ba2 Ni Si3 -","- Ba2 Ni Si3 -","- Ba6 Ni3 Si9 -","3","0.25","","Joanna Goodey; Jianggao Mao; Arnold M. Guloy","Ba2NiSi3: A One-Dimensional Solid-State Metallocene Analog","Journal of the American Chemical Society","2000","122","","10478","10479","10.1021/ja0016102","","","0.71073","MoKα","","0.0522","0.0502","","0.1217","0.1201","","","","1.126","1.133","1.133","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116210","15.064","0.002","13.013","0.003","12.47","0.002","90","","112.732","0.012","90","","2254.6","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H44 Mo8 N2 O26 S8 -","- C10 Mo8 N2 O26 S8 -","- C20 Mo16 N4 O52 S16 -","2","0.5","","Bernadette Salignac; Sandra Riedel; Anne Dolbecq; Francis Sécheresse; Emmanuel Cadot","""Wheeling Templates"" in Molecular Oxothiomolybdate Rings: Syntheses, Structures, and Dynamics","Journal of the American Chemical Society","2000","122","","10381","10389","10.1021/ja001878t","","","0.71073","MoKα","","0.0398","0.0309","","0.0904","0.0848","","","","1.057","1.077","1.077","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116211","13.5426","0.0002","18.5523","0.0003","22.5839","0.0003","90","","103.703","0.001","90","","5512.62","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H38 Cs2 Mo10 O35 S10 -","- C5 Cs2 Mo10 O35 S10 -","- C20 Cs8 Mo40 O140 S40 -","4","1","","Bernadette Salignac; Sandra Riedel; Anne Dolbecq; Francis Sécheresse; Emmanuel Cadot","""Wheeling Templates"" in Molecular Oxothiomolybdate Rings: Syntheses, Structures, and Dynamics","Journal of the American Chemical Society","2000","122","","10381","10389","10.1021/ja001878t","","","0.71073","MoKα","","0.0675","0.0492","","0.1365","0.1299","","","","0.995","1.131","1.131","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116212","24.296","0.004","10.165","0.003","21.828","0.006","90","","90","","90","","5391","2","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H32 Mo10 O33 Rb4 S10 -","- C10 Mo10 O33 Rb4 S10 -","- C40 Mo40 O132 Rb16 S40 -","4","0.5","","Bernadette Salignac; Sandra Riedel; Anne Dolbecq; Francis Sécheresse; Emmanuel Cadot","""Wheeling Templates"" in Molecular Oxothiomolybdate Rings: Syntheses, Structures, and Dynamics","Journal of the American Chemical Society","2000","122","","10381","10389","10.1021/ja001878t","","","0.71073","MoKα","","0.1167","0.06","","0.1593","0.1294","","","","1.114","1.125","1.125","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116213","22.285","0.0001","11.0041","0.0002","18.7617","0.0003","90","","123.007","0.001","90","","3858.3","0.1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C7 H35 Cs2 Mo12 O50 S12 -","- C7 Cs1.98 Mo12 O50 S12 -","- C14 Cs3.96 Mo24 O100 S24 -","2","0.25","","Bernadette Salignac; Sandra Riedel; Anne Dolbecq; Francis Sécheresse; Emmanuel Cadot","""Wheeling Templates"" in Molecular Oxothiomolybdate Rings: Syntheses, Structures, and Dynamics","Journal of the American Chemical Society","2000","122","","10381","10389","10.1021/ja001878t","","","0.71073","MoKα","","0.0566","0.0528","","0.1603","0.1566","","","","0.904","0.926","0.926","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116214","16.0489","0.0005","9.4521","0.0003","15.9728","0.0006","90","","116.707","0.002","90","","2164.51","0.13","173.2","","173.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Cl2 P2 Pd2 S6 -","- C48 H32 Cl2 P2 Pd2 S6 -","- C96 H64 Cl4 P4 Pd4 S12 -","2","0.5","","Olivier Clot; Michael O. Wolf; Brian O. Patrick","Electropolymerization of a Cyclometalated Terthiophene: A Hybrid Material with a Palladium-Carbon Bond to the Backbone","Journal of the American Chemical Society","2000","122","","10456","10457","10.1021/ja002258v","","","0.7107","MoKα","","0.0452","0.0452","","0.0764","","0.0764","","","1.082","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116215","15.2507","0.0007","16.5894","0.0008","25.8511","0.0012","90","","102.923","0.001","90","","6374.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3a*1.5THF","","- C76 H76 N4 O5.5 -","- C72.5 H64 N4 O4 -","- C290 H256 N16 O16 -","4","1","","Michael Harmjanz; Hubert S. Gill; Michael J. Scott","Porphodimethene-Porphyrin Interconversion: A Tetrapyrrolic Redox-Switchable Macrocycle","Journal of the American Chemical Society","2000","122","","10476","10477","10.1021/ja003004c","","","0.71073","MoKα","","0.1044","0.0804","","","0.2182","0.2349","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116216","29.448","0.003","12.588","0.0012","21.842","0.002","90","","107.913","0.002","90","","7704.2","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","8*5.25 MeOH","","- C85.25 H84 Co2 N4 O10.25 Zn -","- C85.25 H78 Co2 N4 O10.25 Zn -","- C341 H312 Co8 N16 O41 Zn4 -","4","1","","Michael Harmjanz; Hubert S. Gill; Michael J. Scott","Porphodimethene-Porphyrin Interconversion: A Tetrapyrrolic Redox-Switchable Macrocycle","Journal of the American Chemical Society","2000","122","","10476","10477","10.1021/ja003004c","","","0.71073","MoKα","","0.1352","0.0867","","","0.1955","0.226","","","","","","1.06","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116217","8.1252","0.0012","13.613","0.002","16.659","0.003","82.429","0.005","78.351","0.005","73.558","0.005","1725.4","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H49 O8 -","- C38 H40 O8 -","- C76 H80 O16 -","2","1","","Chaomin Li; Emil Lobkovsky; John A. Porco","Total Synthesis of (\±)-Torreyanic Acid","Journal of the American Chemical Society","2000","122","","10484","10485","10.1021/ja005552w","","","0.71073","MoKα","","0.0951","0.0551","","","0.1353","0.1586","","","","","","0.984","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116218","31.008","0.0005","11.92","0.0003","29.791","0.0007","90","","107.994","0.0013","90","","10472.6","0.4","115","","115","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C117 H160 N4 O4 Zr2 -","- C117 H160 N4 O4 Zr2 -","- C468 H640 N16 O16 Zr8 -","4","1","","Edit Y. Tshuva; Israel Goldberg; Moshe Kol","Isospecific Living Polymerization of 1-Hexene by a Readily Available Nonmetallocene C2-Symmetrical Zirconium Catalyst","Journal of the American Chemical Society","2000","122","","10706","10707","10.1021/ja001219g","","","0.7107","MoKα","","0.0852","0.0493","","","0.1157","0.1323","","","","","","1.06","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116219","27.863","0.003","43.569","0.003","29.333","0.002","90","","90","","90","","35609","5","213","2","213","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C209.5 H182 Cl2 N10 Pd2.5 -","- C209.5 H182 Cl2 N10 Pd2.5 -","- C1676 H1456 Cl16 N80 Pd20 -","8","0.5","","Dayong Sun; Fook S. Tham; Christopher A. Reed; Leila Chaker; Michael Burgess; Peter D. W. Boyd","Porphyrin-Fullerene Host-Guest Chemistry","Journal of the American Chemical Society","2000","122","","10704","10705","10.1021/ja002214m","","","0.71073","MoKα","","0.1281","0.0753","","","0.1945","0.2745","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116220","18.1981","0.0006","17.3589","0.0006","17.8391","0.0006","90","","91.957","0.001","90","","5632.1","0.3","90","2","90","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Sr~21~Mn~4~Sb~18~","","","- Mn4 Sb18 Sr21 -","- Mn4 Sb18 Sr21 -","- Mn16 Sb72 Sr84 -","4","0.5","","Hyungrak Kim; Cathie L. Condron; Aaron P. Holm; Susan M. Kauzlarich","Synthesis, Structure, and Magnetic Properties of a New Ternary Zintl Phase: Sr21Mn4Sb18","Journal of the American Chemical Society","2000","122","","10720","10721","10.1021/ja002709b","","","0.71073","MoKα","","0.0571","0.033","","","0.0638","0.0703","","","","","","1.026","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116221","9.9851","0.0012","37.016","0.004","8.274","0.002","90","","90","","90","","3058.1","0.9","188","2","188","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C31 H32 F3 N O10 -","- C31 H31 F3 N O10 -","- C124 H124 F12 N4 O40 -","4","1","","Ingrid M. Fellows; David E. Kaelin; Stephen F. Martin","Application of Ring-Closing Metathesis to the Formal Total Synthesis of (+)-FR900482","Journal of the American Chemical Society","2000","122","","10781","10787","10.1021/ja0013879","","","0.71073","MoKα","","0.2322","0.0787","","0.1869","0.1299","","","","1.034","1.261","1.261","","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116222","12.546","0.001","12.662","0.001","12.995","0.001","106.54","0.01","113.17","0.01","96.981","0.008","1754.3","0.3","188","2","188","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H45 N O7 -","- C40 H45 N O7 -","- C80 H90 N2 O14 -","2","1","","Ingrid M. Fellows; David E. Kaelin; Stephen F. Martin","Application of Ring-Closing Metathesis to the Formal Total Synthesis of (+)-FR900482","Journal of the American Chemical Society","2000","122","","10781","10787","10.1021/ja0013879","","","0.71073","MoKα","","0.0927","0.0512","","0.1133","0.0967","","","","1.09","1.182","1.182","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116223","10.855","0.0003","11.869","0.0002","17.657","0.0004","95.484","0.0016","90.68","0.0013","93.456","0.0013","2260.01","0.09","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H44 Cl3 I N2 O10 S -","- C46 H44 Cl3 I N2 O10 S -","- C92 H88 Cl6 I2 N4 O20 S2 -","2","1","","Ingrid M. Fellows; David E. Kaelin; Stephen F. Martin","Application of Ring-Closing Metathesis to the Formal Total Synthesis of (+)-FR900482","Journal of the American Chemical Society","2000","122","","10781","10787","10.1021/ja0013879","","","0.71073","MoKα","","0.0709","0.0448","","","0.1032","0.1139","","","","","","1.056","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116224","13.1029","0.0002","14.0516","0.0002","14.8296","0.0003","79.154","0.001","72.972","0.001","72.128","0.001","2470.16","0.07","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H45 Cl6 I N2 O10 S -","- C47 H45 Cl6 I N2 O10 S -","- C94 H90 Cl12 I2 N4 O20 S2 -","2","1","","Ingrid M. Fellows; David E. Kaelin; Stephen F. Martin","Application of Ring-Closing Metathesis to the Formal Total Synthesis of (+)-FR900482","Journal of the American Chemical Society","2000","122","","10781","10787","10.1021/ja0013879","","","0.71073","MoKα","","0.0459","0.0336","","","0.0701","0.0738","","","","","","1.035","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116225","11.018","0.004","14.145","0.004","17.79","0.006","110.15","0.02","97.598","0.019","89.51","0.02","2578","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H47.5 Cl4.5 N2 O11 S -","- C47 H47 Cl3 N2 O11 S -","- C94 H94 Cl6 N4 O22 S2 -","2","1","","Ingrid M. Fellows; David E. Kaelin; Stephen F. Martin","Application of Ring-Closing Metathesis to the Formal Total Synthesis of (+)-FR900482","Journal of the American Chemical Society","2000","122","","10781","10787","10.1021/ja0013879","","","0.71073","MoKα","","0.3014","0.1886","","","0.2637","0.2924","","","","","","1.786","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116226","9.534","0.003","10.626","0.002","15.079","0.003","90","","91.75","0.02","90","","1526.9","0.6","296.2","","296.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H34 Cd N2 S7 -","- C23 H34 Cd N2 S7 -","- C46 H68 Cd2 N4 S14 -","2","1","","Jie Dai; Guo-Qing Bian; Xin Wang; Qing-Feng Xu; Min-Yan Zhou; Megumu Munakata; Masahiko Maekawa; Ming-Hong Tong; Zhen-Rong Sun; He-Ping Zeng","A New Method to Synthesize Unsymmetrical Dithiolene Metal Complexes of 1,3-Dithiole-2-thione-4,5-dithiolate for Third-Order Nonlinear Optical Applications","Journal of the American Chemical Society","2000","122","","11007","11008","10.1021/ja001976e","","","0.7107","MoKα","","0.0384","0.0292","","","0.0827","0.0879","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116227","10","0.0006","10.5047","0.0006","11.5559","0.0006","68.821","0.001","86.902","0.001","65.525","0.001","1023.65","0.1","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C46 H56 N4 O4 -","2","1","","P. Andrew Evans; Thara Manangan; Arnold L. Rheingold","Stereoselective Construction of trans-Disubstituted Azabicycles Using Oxauracil as a Novel Free Radical Acceptor","Journal of the American Chemical Society","2000","122","","11009","11010","10.1021/ja0020308","","","0.71073","MoKα","","0.0851","0.0657","","0.2071","0.1897","","","","1.057","1.133","1.133","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116228","15.2634","0.0006","6.7949","0.0002","9.3479","0.0003","90","","104.269","0.002","90","","939.59","0.06","228","2","228","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C42 H48 N4 O4 -","2","1","","P. Andrew Evans; Thara Manangan; Arnold L. Rheingold","Stereoselective Construction of trans-Disubstituted Azabicycles Using Oxauracil as a Novel Free Radical Acceptor","Journal of the American Chemical Society","2000","122","","11009","11010","10.1021/ja0020308","","","0.71073","MoKα","","0.0611","0.0465","","0.136","0.1107","","","","1.023","1.036","1.036","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116229","10.5766","0.0001","9.7748","0.0002","19.1768","0.0004","90","","98.416","0.001","90","","1961.23","0.06","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","P. Andrew Evans; Thara Manangan; Arnold L. Rheingold","Stereoselective Construction of trans-Disubstituted Azabicycles Using Oxauracil as a Novel Free Radical Acceptor","Journal of the American Chemical Society","2000","122","","11009","11010","10.1021/ja0020308","","","0.71073","MoKα","","0.0637","0.0505","","0.1627","0.1526","","","","1.071","1.143","1.143","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116230","9.532","0.006","24.712","0.008","38.47","0.01","90","","90","","90","","9062","7","296.2","","296.2","","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C43 H62 B Cl F4 O2 Ru2 S2 -","- C43 B0.5 Cl F2 O1.5 Ru2 S2 -","- C344 B4 Cl8 F16 O12 Ru16 S16 -","8","1","","Yoshiaki Nishibayashi; Issei Wakiji; Masanobu Hidai","Novel Propargylic Substitution Reactions Catalyzed by Thiolate-Bridged Diruthenium Complexes via Allenylidene Intermediates","Journal of the American Chemical Society","2000","122","","11019","11020","10.1021/ja0021161","","","0.7107","MoKα","","0.0694","0.0694","","","0.0865","0.0865","","","","","","2.428","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116231","11.5194","0.0006","17.1506","0.001","13.0058","0.0007","90","","110.166","0.002","90","","2412","0.2","160","2","160","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H72 K4 Li4 O8 -","- C32 H72 K4 Li4 O8 -","- C64 H144 K8 Li8 O16 -","2","0.5","","David R. Armstrong; William Clegg; Allison M. Drummond; Stephen T. Liddle; Robert E. Mulvey","A Remarkable Isostructural Homologous Series of Mixed Lithium-Heavier Alkali Metaltert-Butoxides [(t-BuO)8Li4M4] (M = Na, K, Rb or Cs)","Journal of the American Chemical Society","2000","122","","11117","11124","10.1021/ja002217z","","","0.71073","MoKα","","0.0441","0.0324","","","0.0853","0.088","","","","","","1.035","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116232","18.998","0.003","12.01","0.003","20.402","0.003","90","","102.899","0.009","90","","4537.6","1.5","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H72 Li4 Na4 O8 -","- C32 H72 Li4 Na4 O8 -","- C128 H288 Li16 Na16 O32 -","4","2","","David R. Armstrong; William Clegg; Allison M. Drummond; Stephen T. Liddle; Robert E. Mulvey","A Remarkable Isostructural Homologous Series of Mixed Lithium-Heavier Alkali Metaltert-Butoxides [(t-BuO)8Li4M4] (M = Na, K, Rb or Cs)","Journal of the American Chemical Society","2000","122","","11117","11124","10.1021/ja002217z","","","0.71073","MoKα","","0.0585","0.0376","","","0.0799","0.0871","","","","","","0.976","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116233","11.705","0.003","17.07","0.005","12.957","0.005","90","0.002","110.347","0.019","90","0.002","2427.3","1.4","160","2","160","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H72 Li4 O8 Rb4 -","- C32 H72 Li4 O8 Rb4 -","- C64 H144 Li8 O16 Rb8 -","2","0.5","","David R. Armstrong; William Clegg; Allison M. Drummond; Stephen T. Liddle; Robert E. Mulvey","A Remarkable Isostructural Homologous Series of Mixed Lithium-Heavier Alkali Metaltert-Butoxides [(t-BuO)8Li4M4] (M = Na, K, Rb or Cs)","Journal of the American Chemical Society","2000","122","","11117","11124","10.1021/ja002217z","","","0.71073","MoKα","","0.0991","0.0437","","","0.0976","0.1088","","","","","","0.904","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116234","12.106","0.003","17.08","0.004","12.913","0.0017","90","","109.541","0.013","90","","2516.2","0.9","160","2","160","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H72 Cs4 Li4 O8 -","- C32 H72 Cs4 Li4 O8 -","- C64 H144 Cs8 Li8 O16 -","2","0.5","","David R. Armstrong; William Clegg; Allison M. Drummond; Stephen T. Liddle; Robert E. Mulvey","A Remarkable Isostructural Homologous Series of Mixed Lithium-Heavier Alkali Metaltert-Butoxides [(t-BuO)8Li4M4] (M = Na, K, Rb or Cs)","Journal of the American Chemical Society","2000","122","","11117","11124","10.1021/ja002217z","","","0.71073","MoKα","","0.0323","0.023","","","0.0595","0.0625","","","","","","1.072","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116235","17.372","0.002","6.8151","0.0007","15.17","0.003","90","","90","","90","","1796","0.5","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C11 H12 B N4 O3 Re S2 -","- C14 H12 B N4 O3 Re S2 -","- C56 H48 B4 N16 O12 Re4 S8 -","4","0.5","","Raquel Garcia; António Paulo; Ângela Domingos; Isabel Santos; Kirstin Ortner; Roger Alberto","Re and Tc Complexes Containing B-H...M Agostic Interactions as Building Blocks for the Design of Radiopharmaceuticals","Journal of the American Chemical Society","2000","122","","11240","11241","10.1021/ja002652t","","","0.71073","MoKα","","0.0694","0.0415","","0.101","0.0806","","","","1.15","1.074","1.074","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116236","7.1363","0.0005","11.5834","0.0009","22.942","0.002","83.739","0.009","82.477","0.009","87.616","0.009","1868.2","0.3","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","","","- C11.5 H12.5 B Cl1.5 N4 O3 S2 Tc -","- C11.4915 H12.4915 B Cl1.4745 N4 O3 S2 Tc -","- C45.966 H49.966 B4 Cl5.898 N16 O12 S8 Tc4 -","4","2","","Raquel Garcia; António Paulo; Ângela Domingos; Isabel Santos; Kirstin Ortner; Roger Alberto","Re and Tc Complexes Containing B-H...M Agostic Interactions as Building Blocks for the Design of Radiopharmaceuticals","Journal of the American Chemical Society","2000","122","","11240","11241","10.1021/ja002652t","","","0.71073","MoKα","","0.0435","0.0375","","0.1043","0.1025","","","","1.08","1.16","1.16","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116237","10.244","0.003","11.045","0.003","11.77","0.002","89.648","0.013","89.426","0.012","65.78","0.02","1214.4","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H24 B N6 O4 Re S2 -","- C18 H24 B N6 O4 Re S2 -","- C36 H48 B2 N12 O8 Re2 S4 -","2","1","","Raquel Garcia; António Paulo; Ângela Domingos; Isabel Santos; Kirstin Ortner; Roger Alberto","Re and Tc Complexes Containing B-H...M Agostic Interactions as Building Blocks for the Design of Radiopharmaceuticals","Journal of the American Chemical Society","2000","122","","11240","11241","10.1021/ja002652t","","","0.71073","MoKα","","0.1149","0.0677","","0.1769","0.1243","","","","1.074","1.097","1.097","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116238","13.016","0.003","13.016","0.003","7.356","0.004","90","","90","","90","","1246.2","0.8","293","2","293","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C12 H20 Ga4 N2 O21 P4 -","- C12 H12 Ga4 O21 P4 -","- C24 H24 Ga8 O42 P8 -","2","0.125","","David S. Wragg; Russell E. Morris","Anionic Gallium Phosphate Double Four-Ring Units Containing Occluded Oxygen","Journal of the American Chemical Society","2000","122","","11246","11247","10.1021/ja0055209","","","1.54178","CuKα","","0.079","0.0704","","0.1953","0.1838","","","","1.089","1.111","1.111","","","","","has coordinates","270822","2021-11-23","08:36:10",""
"4116239","11.9318","0.0018","14.041","0.002","17.25","0.003","109.831","0.011","96.22","0.012","102.619","0.011","2600","0.8","130","2","130","2","","","","","","","","5","P -1","-P 1","2","tetracation porphyrin trimer","","","- C122 H94 F12 N12 O10 -","- C122 H86 F12 N12 O10 -","- C122 H86 F12 N12 O10 -","1","0.5","","Roberto Paolesse; Laurent Jaquinod; Fabio Della Sala; Daniel J. Nurco; Luca Prodi; Marco Montalti; Corrado Di Natale; Arnaldo D'Amico; Aldo Di Carlo; Paolo Lugli; Kevin M. Smith","β-Fused Oligoporphyrins: A Novel Approach to a New Type of Extended Aromatic System","Journal of the American Chemical Society","2000","122","","11295","11302","10.1021/ja001316+","","","1.54178","CuKα","","0.1212","0.0814","","","0.2021","0.2361","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116240","9.018","0.002","16.244","0.004","20.737","0.002","90","","90.84","0.01","90","","3037.4","1","286.2","","286.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 N2 O2 Si W -","- C31 H33 N2 O2 Si W -","- C124 H132 N8 O8 Si4 W4 -","4","1","","Hiroyuki Sakaba; Masanori Tsukamoto; Takeshi Hirata; Chizuko Kabuto; Hiroshi Horino","Synthesis, Structure, and Silylene Exchange Reaction of Base-Stabilized Hydrido(silylene)tungsten Complexes and Rearrangement of Hydrosilyl(pyridine)tungsten Complexes to the Base-Stabilized Hydrido(silylene) Complexes via 1,2-Hydrogen Migration","Journal of the American Chemical Society","2000","122","","11511","11512","10.1021/ja993279w","","","0.7107","MoKα","","0.0422","0.0422","","","0.066","0.066","","","","","","1.553","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116241","34.226","0.009","20.44","0.01","15.638","0.007","90","","90","","90","","10940","8","286.2","","286.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H31 N O2 Si W -","- C29 H31 N O2 Si W -","- C464 H496 N16 O32 Si16 W16 -","16","2","","Hiroyuki Sakaba; Masanori Tsukamoto; Takeshi Hirata; Chizuko Kabuto; Hiroshi Horino","Synthesis, Structure, and Silylene Exchange Reaction of Base-Stabilized Hydrido(silylene)tungsten Complexes and Rearrangement of Hydrosilyl(pyridine)tungsten Complexes to the Base-Stabilized Hydrido(silylene) Complexes via 1,2-Hydrogen Migration","Journal of the American Chemical Society","2000","122","","11511","11512","10.1021/ja993279w","","","0.7107","MoKα","","0.0511","0.0511","","","0.0541","0.0541","","","","","","2.492","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116242","11.574","0.003","19.732","0.004","11.853","0.003","90","","106.583","0.001","90","","2594.4","1.1","10","2","10","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.5608","AgKα","","0.0679","0.0608","","","0.1465","0.1488","","","","","","1.362","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116243","11.573","0.002","19.725","0.004","11.847","0.002","90","","106.469","0.009","90","","2593.4","0.8","35","2","35","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0474","0.0348","","","0.0735","0.0797","","","","","","1.067","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116244","11.588","0.003","19.709","0.004","11.875","0.003","90","","106.96","0.001","90","","2594.2","1.1","60","2","60","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.5608","AgKα","","0.0834","0.0685","","","0.1618","0.1695","","","","","","1.218","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116245","11.6025","0.001","19.748","0.002","11.914","0.001","90","","106.826","0.002","90","","2612.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0459","0.0449","","","0.1063","0.1071","","","","","","1.432","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116246","11.6077","0.001","19.764","0.002","11.9384","0.001","90","","106.69","0.002","90","","2623.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0448","0.0433","","","0.1168","0.1186","","","","","","1.111","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116247","11.6346","0.001","19.807","0.002","11.8067","0.001","90","","106.903","0.002","90","","2603.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0703","0.0581","","","0.1316","0.1406","","","","","","1.251","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116248","11.628","0.001","19.843","0.002","11.843","0.001","90","","106.886","0.002","90","","2614.8","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0495","0.0475","","","0.1159","0.1179","","","","","","1.327","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116249","11.667","0.001","19.918","0.002","11.981","0.001","90","","106.786","0.002","90","","2665.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0893","0.0577","","","0.1127","0.123","","","","","","1.154","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116250","11.697","0.001","20.018","0.002","11.978","0.001","90","","106.903","0.002","90","","2683.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.0576","0.052","","","0.1322","0.1391","","","","","","1.153","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116251","11.765","0.001","20.159","0.002","12.014","0.001","90","","106.88","0.002","90","","2726.6","0.4","240","2","240","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.1294","0.0579","","","0.1061","0.1205","","","","","","1.166","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116252","11.824","0.002","20.271","0.004","12.011","0.002","90","","106.983","0.004","90","","2753.3","0.9","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Fe3 N3 O13 -","- C45 H69 Fe3 N3 O13 -","- C90 H138 Fe6 N6 O26 -","2","1","","Claire Wilson; Bo B. Iversen; Jacob Overgaard; Finn K. Larsen; Guang Wu; Sergiu P. Palii; Grigore A. Timco; Nicolae V. Gerbeleu","Multi-Temperature Crystallographic Studies of Mixed-Valence Polynuclear Complexes; Valence Trapping Process in the Trinuclear Oxo-Bridged Iron Compound, [Fe3O(O2CC(CH3)3)6(C5H5N)3]","Journal of the American Chemical Society","2000","122","","11370","11379","10.1021/ja994162a","","","0.71073","MoKα","","0.063","0.0544","","","0.1065","0.1123","","","","","","1.34","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116253","14.07","0.003","15.309","0.003","23.968","0.003","90","","95.21","0.02","90","","5141.3","1.6","219.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H77 B Cu N6 S -","- C53 H77 B Cu N6 S -","- C212 H308 B4 Cu4 N24 S4 -","4","1","","David W. Randall; Serena DeBeer George; Britt Hedman; Keith O. Hodgson; Kiyoshi Fujisawa; Edward I. Solomon","Spectroscopic and Electronic Structural Studies of Blue Copper Model Complexes. 1. Perturbation of the Thiolate-Cu Bond","Journal of the American Chemical Society","2000","122","","11620","11631","10.1021/ja001591w","","","0.7107","MoKα","","","0.0483","","","","0.0556","","","","","","1.893","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116254","11.3523","0.0002","17.0133","0.0003","18.3511","0.0002","90","","103.49","0.001","90","","3446.55","0.09","173","2","173","2","","","","","","","Patrick Holland","5","P 1 21/c 1","-P 2ybc","14","99169","A(DIPP)CuSDMP","","- C37 H50 Cu N2 S -","- C37 H50 Cu N2 S -","- C148 H200 Cu4 N8 S4 -","4","1","","David W. Randall; Serena DeBeer George; Patrick L. Holland; Britt Hedman; Keith O. Hodgson; William B. Tolman; Edward I. Solomon","Spectroscopic and Electronic Structural Studies of Blue Copper Model Complexes. 2. Comparison of Three- and Four-Coordinate Cu(II)-Thiolate Complexes and Fungal Laccase","Journal of the American Chemical Society","2000","122","","11632","11648","10.1021/ja001592o","","","0.71073","MoKα","","0.044","0.0295","","0.0774","0.0727","","","","1.033","1.106","1.106","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116255","13.4053","0.0011","16.3295","0.0013","17.8203","0.0014","72.146","0.002","80.562","0.002","82.677","0.002","3650.4","0.5","213","2","213","2","","","","","","","","9","P -1","-P 1","2","","","","- C80 H80 Cl2 F6 O3 P4 Rh Sb Zr -","- C80 H80 Cl2 F6 O3 P4 Rh Sb Zr -","- C160 H160 Cl4 F12 O6 P8 Rh2 Sb2 Zr2 -","2","1","","T. Keith Hollis; Li-Sheng Wang; Fook Tham","Dynamic Resolution of a Metallocene: Diastereoselective Assembly of an Early-Late Heterobimetallic Metal-Bridgedansa-Metallocene Opening a Route to Parallel Catalyst Synthesis","Journal of the American Chemical Society","2000","122","","11737","11738","10.1021/ja002411l","","","0.71073","MoKα","","0.0956","0.0543","","","0.1343","0.1584","","","","","","1.035","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116256","12.8866","0.0003","15.9008","0.0003","12.1765","0.0003","90","","121.535","0.001","90","","2126.59","0.09","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C44 H48 B2 F8 N2 P2 Pt -","- C44 H48 B2 F8 N2 P2 Pt -","- C88 H96 B4 F16 N4 P4 Pt2 -","2","0.5","","Martin Albrecht; Paulo Dani; Martin Lutz; Anthony L. Spek; Gerard van Koten","Transcyclometalation Processes with Late Transition Metals: Caryl-H Bond Activation via Noncovalent C-H...Interactions","Journal of the American Chemical Society","2000","122","","11822","11833","10.1021/ja001808m","","","0.71073","MoKα","","0.0278","0.0278","","","0.0703","0.0703","","","","","","1.042","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116257","11.5811","0.0003","12.4431","0.0003","17.6349","0.0005","70.7122","0.001","84.1765","0.0011","69.4615","0.0013","2245.87","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H51.33 Cl N2 P2 Pt -","- C48.99 H51.31 Cl N2 P2 Pt -","- C97.98 H102.62 Cl2 N4 P4 Pt2 -","2","1","","Martin Albrecht; Paulo Dani; Martin Lutz; Anthony L. Spek; Gerard van Koten","Transcyclometalation Processes with Late Transition Metals: Caryl-H Bond Activation via Noncovalent C-H...Interactions","Journal of the American Chemical Society","2000","122","","11822","11833","10.1021/ja001808m","","","0.71073","MoKα","","0.0408","0.0351","","","0.1017","0.105","","","","","","1.07","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116258","13.0416","0.0002","15.5605","0.0003","24.1866","0.0005","90","","92.638","0.001","90","","4903.08","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C112 H118 Cl2 N4 P4 Pt2 -","- C112 H118 Cl2 N4 P4 Pt2 -","- C224 H236 Cl4 N8 P8 Pt4 -","2","0.5","","Martin Albrecht; Paulo Dani; Martin Lutz; Anthony L. Spek; Gerard van Koten","Transcyclometalation Processes with Late Transition Metals: Caryl-H Bond Activation via Noncovalent C-H...Interactions","Journal of the American Chemical Society","2000","122","","11822","11833","10.1021/ja001808m","","","0.71073","MoKα","","0.0362","0.0261","","","0.0551","0.0585","","","","","","1.04","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116259","9.9903","0.0003","9.9903","0.0003","15.3902","0.0006","90","","90","","120","","1330.25","0.08","158","2","158","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C30 H45 Cl U -","- C30 H45 Cl U -","- C60 H90 Cl2 U2 -","2","0.166667","","William J. Evans; Gregory W. Nyce; Matthew A. Johnston; Joseph W. Ziller","How Much Steric Crowding Is Possible in Tris(η5-pentamethylcyclopentadienyl) Complexes? Synthesis and Structure of (C5Me5)3UCl and (C5Me5)3UF1","Journal of the American Chemical Society","2000","122","","12019","12020","10.1021/ja002486p","","","0.71073","MoKα","","0.056","0.05","","","0.1215","0.1247","","","","","","1.398","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116260","9.9804","0.0005","9.9804","0.0005","15.4529","0.0011","90","","90","","120","","1333.02","0.13","153","2","153","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C30 H45 F U -","- C30 H45 F2 U -","- C60 H90 F4 U2 -","2","0.166667","","William J. Evans; Gregory W. Nyce; Matthew A. Johnston; Joseph W. Ziller","How Much Steric Crowding Is Possible in Tris(η5-pentamethylcyclopentadienyl) Complexes? Synthesis and Structure of (C5Me5)3UCl and (C5Me5)3UF1","Journal of the American Chemical Society","2000","122","","12019","12020","10.1021/ja002486p","","","0.71073","MoKα","","0.0609","0.0434","","","0.108","0.127","","","","","","1.18","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116261","12.965","0.001","17.957","0.002","5.619","0.001","90","","90","","90","","1308.2","0.3","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Katsumi Ukai; Koichiro Oshima; Seijiro Matsubara","Preparation of Cyclopropanediol: Novel [2 + 1] Cycloaddition Reaction of Bis(iodozincio)methane with 1,2-Diketones","Journal of the American Chemical Society","2000","122","","12047","12048","10.1021/ja003360v","","","0.7107","MoKα","","","0.0544","","","","0.0827","","","","","","1.136","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116262","43.816","0.009","5.922","0.002","38.178","0.008","90","","100.53","0.01","90","","9740","4","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C456 H432 O96 -","24","3","","Katsumi Ukai; Koichiro Oshima; Seijiro Matsubara","Preparation of Cyclopropanediol: Novel [2 + 1] Cycloaddition Reaction of Bis(iodozincio)methane with 1,2-Diketones","Journal of the American Chemical Society","2000","122","","12047","12048","10.1021/ja003360v","","","0.7107","MoKα","","","0.1295","","","","0.1383","","","","","","3.278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116263","13.5885","0.0005","27.5919","0.001","16.7882","0.0008","90","","109.35","0.002","90","","5938.9","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H78 N8 O6 Zn2 -","- C71 H77 N8 O6 Zn2 -","- C284 H308 N32 O24 Zn8 -","4","1","","James T. Fletcher; Michael J. Therien","Transition-Metal-Mediated [2 + 2 + 2] Cycloaddition Reactions with Ethyne-Containing Porphyrin Templates: New Routes to Cofacial Porphyrin Structures and Facially-Functionalized (Porphinato)metal Species","Journal of the American Chemical Society","2000","122","","12393","12394","10.1021/ja0001557","","","0.71069","MoKα","","0.1364","0.1146","","0.2095","0.1988","","","","1.238","1.299","1.299","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116264","29.804","0.004","12.3908","0.0018","13.489","0.002","90","","101.289","0.003","90","","4885","1.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-diethyl-8,8,9,9,10,10-hexafluoro-4,14-diphenyl-3,15-dithiatetracyclo-[10.3.0.0^2,6^.0^7,11^] pentadeca-4,6(7),11(12),13-tetraene and 1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C29 H22 F6 S2 -","- C29 H22 F6 S2 -","- C232 H176 F48 S16 -","8","1","","Seiya Kobatake; Katsunori Shibata; Kingo Uchida; Masahiro Irie","Photochromism of 1,2-Bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase. Conrotatory Thermal Cycloreversion of the Closed-Ring Isomer","Journal of the American Chemical Society","2000","122","","12135","12141","10.1021/ja001996g","","","0.71073","MoKα","","0.0767","0.0459","","","0.1106","0.1277","","","","","","1.017","","","","has coordinates,has disorder","211399","2020-10-21","18:00:00",""
"4116265","22.277","0.003","10.9507","0.0016","10.5694","0.0016","90","","90","","90","","2578.4","0.6","80","2","80","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C29 H22 F6 S2 -","- C29 H22 F6 S2 -","- C116 H88 F24 S8 -","4","0.5","","Seiya Kobatake; Katsunori Shibata; Kingo Uchida; Masahiro Irie","Photochromism of 1,2-Bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase. Conrotatory Thermal Cycloreversion of the Closed-Ring Isomer","Journal of the American Chemical Society","2000","122","","12135","12141","10.1021/ja001996g","","","0.71073","MoKα","","0.0658","0.0503","","","0.1204","0.1273","","","","","","1.092","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116266","29.762","0.006","12.427","0.002","13.424","0.003","90","","100.719","0.003","90","","4878.3","1.7","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-diethyl-8,8,9,9,10,10-hexafluoro-4,14-diphenyl-3,15-dithiatetracyclo-[10.3.0.0^2,6^.0^7,11^] pentadeca-4,6(7),11(12),13-tetraene","","- C29 H22 F6 S2 -","- C29 H22 F6 S2 -","- C232 H176 F48 S16 -","8","1","","Seiya Kobatake; Katsunori Shibata; Kingo Uchida; Masahiro Irie","Photochromism of 1,2-Bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase. Conrotatory Thermal Cycloreversion of the Closed-Ring Isomer","Journal of the American Chemical Society","2000","122","","12135","12141","10.1021/ja001996g","","","0.71073","MoKα","","0.0679","0.0411","","","0.0951","0.1061","","","","","","0.969","","","","has coordinates","211399","2020-10-21","18:00:00",""
"4116267","11.5316","0.0006","11.5497","0.0005","13.0148","0.0004","74.998","0.003","74.883","0.003","72.182","0.002","1562.62","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 Li N2 O5 P2 -","- C30 H48 Li N2 O5 P2 -","- C60 H96 Li2 N4 O10 P4 -","2","1","","Sylvie Choua; Helena Sidorenkova; Théo Berclaz; Michel Geoffroy; Patrick Rosa; Nicolas Mézailles; Louis Ricard; François Mathey; Pascal Le Floch","One-Electron Reduction Product of a Biphosphinine Derivative and of Its Ni(0) Complex: Crystal Structure, EPR/ENDOR, and DFT Investigations on (tmbp).- and [Ni(tmbp)2].-","Journal of the American Chemical Society","2000","122","","12227","12234","10.1021/ja002125+","","","0.71069","MoKα","","0.0557","0.0401","","","0.1156","0.1356","","","","","","1.102","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116268","34.611","0.003","14.3764","0.0014","34.408","0.004","90","","94.085","0.002","90","","17077","3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,3,7,8,11,12,16,17,20,21,25,26,29,30,34,35,38,39,43,44,47,48,52,53,56,57, 61,62,65,66,70,71-dotriacontaethyl-5,14,23,32,41,50,59,68- octaphenyl-[64]hexadecaphyrin-(1.0.1.0.1.0.1.0.1.0.1.0.1.0.1.0)","","- C184 H208 N16 -","- C184 H208 N16 -","- C736 H832 N64 -","4","0.5","","Jun-ichiro Setsune; Satoshi Maeda","Bis(azafulvene) as a Versatile Building Block for Giant Cyclopolypyrroles: X-ray Crystal Structure of [64]Hexadecaphyrin(1.0.1.0.1.0.1.0.1.0.1.0.1.0.1.0)","Journal of the American Chemical Society","2000","122","","12405","12406","10.1021/ja005588o","","","0.71073","MoKα","","0.2453","0.0968","","","0.2442","0.328","","","","","","0.929","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116269","13.3625","0.0007","13.7572","0.0007","14.2004","0.0007","66.538","0.001","74.973","0.001","71.105","0.001","2239.9","0.2","203","","203","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 Fe4 N4 O12 -","- C40 H36 Fe4 N4 O12 -","- C80 H72 Fe8 N8 O24 -","2","1","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito","Superparamagnetic Behavior in an Alkoxo-Bridged Iron(II) Cube","Journal of the American Chemical Society","2000","122","","12602","12603","10.1021/ja002889p","","","0.71073","MoKα","","0.0477","0.0338","","","0.0898","0.0959","","","","","","1.022","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116270","14.451","0.004","13.884","0.001","5.8","0.001","90","","90","","90","","1163.7","0.4","120","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","benzo[c]phenanthrene","","- C18 H12 -","- C18 H12 -","- C72 H48 -","4","1","","Mahesh K. Lakshman; Panna L. Kole; Surendrakumar Chaturvedi; Joseph H. Saugier; Herman J. C. Yeh; Jenny P. Glusker; H. L. Carrell; Amy K. Katz; Carol E. Afshar; Won-Mohaiza Dashwood; Gary Kenniston; William M. Baird","Methyl Group-Induced Helicity in 1,4-Dimethylbenzo[c]phenanthrene and Its Metabolites: Synthesis, Physical, and Biological Properties","Journal of the American Chemical Society","2000","122","","12629","12636","10.1021/ja002072w","","","","","","0.067","0.048","","0.073","0.072","","0.072","","2.317","2.333","2.333","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116271","8.812","0.003","8.266","0.002","9.497","0.008","90","","103.47","0.04","90","","672.7","0.6","120","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","1,4-dimethylbenzo[c]phenanthrene","","- C20 H16 -","- C20 H16 -","- C40 H32 -","2","1","","Mahesh K. Lakshman; Panna L. Kole; Surendrakumar Chaturvedi; Joseph H. Saugier; Herman J. C. Yeh; Jenny P. Glusker; H. L. Carrell; Amy K. Katz; Carol E. Afshar; Won-Mohaiza Dashwood; Gary Kenniston; William M. Baird","Methyl Group-Induced Helicity in 1,4-Dimethylbenzo[c]phenanthrene and Its Metabolites: Synthesis, Physical, and Biological Properties","Journal of the American Chemical Society","2000","122","","12629","12636","10.1021/ja002072w","","","","","","0.066","0.06","","0.127","0.126","","0.094","","2.556","2.577","2.577","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116272","10.9593","0.0002","21.115","0.0004","12.7534","0.0001","90","","99.296","0.001","90","","2912.45","0.08","188","2","188","2","","","","","","","","8","P 1 21 1","P 2yb","4","[Fe2(BPEAN)(OH)(OTf)](OTf)2 compound 1","","","- C44 H47 Cl6 F9 Fe2 N8 O10 S3 -","- C44 H40 Cl6 F9 Fe2 N8 O10 S3 -","- C88 H80 Cl12 F18 Fe4 N16 O20 S6 -","2","1","","Chuan He; Amy M. Barrios; Dongwhan Lee; Jane Kuzelka; Roman M. Davydov; Stephen J. Lippard","Diiron Complexes of 1,8-Naphthyridine-Based Dinucleating Ligands as Models for Hemerythrin","Journal of the American Chemical Society","2000","122","","12683","12690","10.1021/ja0026861","","","0.71073","MoKα","","0.0633","0.0468","","","0.1162","0.1243","","","","","","0.876","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116273","17.432","0.002","12.878","0.001","7.5758","0.0009","90","","109.715","0.008","90","","1601","0.3","173.2","","173.2","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 B F13 -","- C17 B0.5 F12.5 -","- C68 B2 F50 -","4","0.5","","Preston A. Chase; Warren E. Piers; Brian O. Patrick","New Fluorinated 9-Borafluorene Lewis Acids","Journal of the American Chemical Society","2000","122","","12911","12912","10.1021/ja005607u","","","0.7107","MoKα","","0.0724","0.042","","0.1208","","0.057","","","1.688","","","1.688","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116274","25.241","0.003","10.755","0.002","24.913","0.002","90","","112.302","0.003","90","","6257.2","1.5","173.2","","173.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H31 B F8 Zr -","- C35.125 H30.875 B F8 Zr -","- C281 H247 B8 F64 Zr8 -","8","1","","Preston A. Chase; Warren E. Piers; Brian O. Patrick","New Fluorinated 9-Borafluorene Lewis Acids","Journal of the American Chemical Society","2000","122","","12911","12912","10.1021/ja005607u","","","0.7107","MoKα","","0.0685","0.039","","0.1109","","0.051","","","1.823","","","1.823","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123919","6.8925","","7.8573","","10.1656","","90","","91.487","","90","","550.347","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","K (Sb P2 Se6)","","- K P2 Sb Se6 -","- K P2 Sb Se6 -","- K2 P4 Sb2 Se12 -","2","1","","Breshears, J.D.; Kanatzidis, M.G.","beta-(K M P2 Se6) (M = Sb, Bi): kinetically accessible phases obtained from rapid crystallisation of amorphous precursors","Journal of the American Chemical Society","2000","122","","7839","7840","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123920","6.9183","","7.663","","10.239","","90","","91.508","","90","","542.632","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","K (Bi P2 Se6)","","- Bi K P2 Se6 -","- Bi K P2 Se6 -","- Bi2 K2 P4 Se12 -","2","1","","Breshears, J.D.; Kanatzidis, M.G.","beta-(K M P2 Se6) (M = Sb, Bi): kinetically accessible phases obtained from rapid crystallisation of amorphous precursors","Journal of the American Chemical Society","2000","122","","7839","7840","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123921","14.88","","10.09","","10.93","","90","","96.16","","90","","1631.55","","","","","","","","","","","","","2","P 1 2 1","P 2y","3","","Sm3 C70","","- C70 Sm3 -","- C70 Sm3 -","- C140 Sm6 -","2","1","","Chen, X.H.; Chi, D.H.; Liu, Z.S.; Takenobu, T.; Sun, Z.; Iwasa, Y.","Synthesis, structure, and transport properties of novel fullerides A3 C70 (A = Ba and Sm)","Journal of the American Chemical Society","2000","122","","5729","5732","","","","","","","","","","","","","","","","","","","","","","has coordinates","140525","2020-10-21","18:00:00",""
"4123922","7.556","","7.556","","27.257","","90","","90","","90","","1556.19","","","","","","","","","","","","","4","I 4/m","-I 4","87","","(Mg (N H3)6) Hg22","","- H18 Hg22 Mg N6 -","- Hg22 Mg N6 -","- Hg44 Mg2 N12 -","2","0.125","","Hwang, I.-C.; Drews, T.; Seppelt, K.","Mg (N H3)6 Hg22, a mercury intercalation compound","Journal of the American Chemical Society","2000","122","","8486","8489","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123923","10.1899","","10.1899","","10.1899","","90","","90","","90","","1058.06","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Mg (N H3)6) Cl2","","- Cl2 H18 Mg N6 -","- Cl2 H18 Mg N6 -","- Cl8 H72 Mg4 N24 -","4","0.0208333","","Hwang, I.-C.; Drews, T.; Seppelt, K.","Mg (N H3)6 Hg22, a mercury intercalation compound","Journal of the American Chemical Society","2000","122","","8486","8489","","","","","","","","","","","","","","","","","","","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4123929","11.208","","17.286","","23.536","","90","","90","","90","","4559.9","","","","","","","","","","","","","5","I 2 2 2","I 2 2","23","","Cs14 Li22.72 (Li18.4 Si72 O172) (D2 O)6.16","","- Cs14 D12.32 Li41.12 O178.16 Si72 -","- Cs13.996 Li41.12 O178.164 Si72 -","- Cs13.996 Li41.12 O178.164 Si72 -","1","0.125","","Park, S.-H.; Grey, C.P.; Parise, J.B.; Gies, H.; Liu, H.-M.; Toby, B.H.","A new porous lithosilicate with a high ionic conductivity and ion-exchange capacity","Journal of the American Chemical Society","2000","122","","11023","11024","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123930","9.3357","","9.3357","","9.3357","","93.482","","93.482","","93.482","","808.958","","","","","","","","","","","","","4","R -3 m :R","-P 3* 2","166","","Li3.53 (Al3.53 Si8.47 O24)","","- Al3.53 Li3.53 O24 Si8.47 -","- Al3.528 Li3.536 O24 Si8.472 -","- Al3.528 Li3.536 O24 Si8.472 -","1","0.0833333","","Smith, L.J.; Eckert, H.; Cheetham, A.K.","Site preferences in the mixed cation zeolite, Li, Na-chabazite: a combined solid-state NMR and neutron diffraction study","Journal of the American Chemical Society","2000","122","","1700","1708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123931","9.3385","","9.3385","","9.3385","","93.482","","93.482","","93.482","","809.686","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","(Li2.05 Na1.61) (Al3.53 Si8.47 O24)","","- Al3.53 Li2.05 Na1.61 O24 Si8.47 -","- Al3.528 Li2.054 Na1.608 O24 Si8.472 -","- Al3.528 Li2.054 Na1.608 O24 Si8.472 -","1","0.0833333","","Smith, L.J.; Eckert, H.; Cheetham, A.K.","Site preferences in the mixed cation zeolite, Li, Na-chabazite: a combined solid-state NMR and neutron diffraction study","Journal of the American Chemical Society","2000","122","","1700","1708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123932","28.24919","","15.7094","","24.424","","90","","102.337","","90","","10588.5","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Al O4 Al12 (O H)12 (H2 O)24) (Al (O H)6 Mo6 O18)2 (O H) (H2 O)29.7","","- Al15 H132.4 Mo12 O118.7 -","- Al15 Mo12 O118.704 -","- Al60 Mo48 O474.816 -","4","0.5","","Son, J.-H.; Kwon, Y.-U.; Choi, H.","Porous crystal formation from polyoxometalate building blocks: single-crystal structure of (Al O4 Al12 (O H)12 (H2 O)24) (Al (O H)6 No6 O18)2 (O H) . 29.5(H2 O)","Journal of the American Chemical Society","2000","122","","7432","7433","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124800","24.797","","8.594","","6.6891","","90","","90","","90","","1425.48","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Zr4.3 Ti2.7 Sb7","","- Sb7 Ti2.7 Zr4.3 -","- Sb7 Ti2.68 Zr4.32 -","- Sb28 Ti10.72 Zr17.28 -","4","0.25","","Kleinke, H.","Zr1-x Tix Sb: A novel antimonide on the quasibinary section Zr Sb - Ti Sb with a complex crystal structure exhibiting linear Sb chains and fragments of the Ti Sb structure","Journal of the American Chemical Society","2000","122","","853","860","","","","","","","","","","","","","","","","","","","","","","has coordinates","173392","2020-10-21","18:00:00",""