# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T08:53:05+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 = 126 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
"1100166","17.417","0.003","21.402","0.004","11.298","0.002","90","","117.15","0.03","90","","3747.4","1.2","546","2","546","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44.75 H32 Ag O2 P2 -","- C44.82 H32 Ag O2 P2 -","- C179.28 H128 Ag4 O8 P8 -","4","0.5","","Norie Momiyama; Hisashi Yamamoto","Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity","Journal of the American Chemical Society","2004","126","","5360","5361","10.1021/ja039103i","","","0.71073","MoKα","","0.0963","0.094","","","0.3306","0.3336","","","","","","1.587","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100873","12.6218","0.0005","13.3776","0.0005","14.3654","0.0005","92.678","0.001","91.051","0.001","109.958","0.001","2275.91","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 O13 P Pt Ru5 -","- C38 H42 O13 P Pt Ru5 -","- C76 H84 O26 P2 Pt2 Ru10 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)]","Journal of the American Chemical Society","2004","126","10","3042","3043","10.1021/ja049955y","","","0.71073","MoKα","","0.0578","0.0454","","","0.1139","0.1227","","","","","","1.037","","","","has coordinates","277831","2022-09-14","14:31:32",""
"4060193","16.046","0.004","7.434","0.002","20.025","0.005","90","","100.42","0.02","90","","2349.3","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 N6 O2 -","- C30 H22 N6 O2 -","- C120 H88 N24 O8 -","4","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.1277","0.1005","","0.1709","0.1627","","","","1.333","1.408","1.408","","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060194","17.985","0.002","26.557","0.004","12.191","0.001","90","","90","","90","","5823","1","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H20 N6 Ni O2 -","- C30 H20 N6 Ni O2 -","- C240 H160 N48 Ni8 O16 -","8","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.0858","0.0632","","0.1935","0.1828","","","","1.073","1.218","1.218","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060195","8.082","0.001","11.956","0.001","13.813","0.001","84.49","0.01","89.44","0.01","72.38","0.01","1266","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N6 Ni O4 -","- C32 H24 N6 Ni O4 -","- C64 H48 N12 Ni2 O8 -","2","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.0369","0.0302","","0.0792","0.076","","","","1.038","1.07","1.07","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060196","14.017","0.001","15.085","0.001","21.778","0.002","99.55","0.01","108.7","0.01","93.39","0.01","4270.1","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H78 Cl6 N12 Ni2 O9 -","- C96 H74 Cl6 N12 Ni2 O9 -","- C192 H148 Cl12 N24 Ni4 O18 -","2","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.0862","0.0634","","0.2042","0.1919","","","","1.099","1.204","1.204","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060197","16.3884","0.001","19.5173","0.001","19.9185","0.001","90","","90","","90","","6371.1","0.6","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(diethylether)ytterbium undecacarbonyl(tetracobalt)","","","- C23 H30 Co4 O14 Yb -","- C23 H25 Co4 O14 Yb -","- C184 H200 Co32 O112 Yb8 -","8","1","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0779","0.0417","","","0.1015","0.1205","","","","","","1.058","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060198","16.3813","0.001","19.7197","0.001","20.0949","0.001","90","","90","","90","","6491.3","0.6","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(diethylether)europium undecacarbonyl(tetracobalt)","","","- C23 H30 Co4 Eu O14 -","- C23 H30 Co4 Eu O14 -","- C184 H240 Co32 Eu8 O112 -","8","1","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0489","0.0349","","","0.0789","0.0847","","","","","","1.015","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060199","11.1607","0.001","16.3616","0.001","17.4351","0.001","90","","97.108","0.01","90","","3159.3","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(diethylether)(tetrahydrofuran)ytterbium undecacarbon","","","- C23 H28 Co4 O14 Yb -","- C23 H10 Co4 O14 Yb -","- C92 H40 Co16 O56 Yb4 -","4","1","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.1001","0.0518","","","0.1139","0.1376","","","","","","1.022","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060200","12.4723","0.001","17.2458","0.001","18.0452","0.001","90","","90","","90","","3881.4","0.4","200","2","200","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Pentakis(tetrahydrofuran)europium undecacarbonyl(tetracobalt)","","","- C31 H40 Co4 Eu O16 -","- C31 H36 Co4 Eu O16 -","- C124 H144 Co16 Eu4 O64 -","4","0.5","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0444","0.033","","","0.0679","0.0712","","","","","","1.035","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060201","37.16","0.02","6.127","0.002","24.091","0.009","90","","111.392","0.007","90","","5106.8","3.2","113.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H29 N4 O2 -","- C31 H29 N4 O2 -","- C248 H232 N32 O16 -","8","1","","Shinsuke Hiraoka; Toshihiro Okamoto; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada","A Stable Radical-Substituted Radical Cation with Strongly Ferromagnetic Interaction: Nitronyl Nitroxide-Substituted 5,10-Diphenyl-5,10-dihydrophenazine Radical Cation","Journal of the American Chemical Society","2004","126","","58","59","10.1021/ja0367748","","","0.7107","MoKα","","","0.07","","","","0.088","","","","","","1.142","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060202","10.2817","0.001","11.2323","0.0011","15.539","0.002","80.704","0.01","77.666","0.01","64.483","0.007","1577.2","0.3","113.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Cl3 N4 O6 -","- C32 H31 Cl3 N4 O6 -","- C64 H62 Cl6 N8 O12 -","2","1","","Shinsuke Hiraoka; Toshihiro Okamoto; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada","A Stable Radical-Substituted Radical Cation with Strongly Ferromagnetic Interaction: Nitronyl Nitroxide-Substituted 5,10-Diphenyl-5,10-dihydrophenazine Radical Cation","Journal of the American Chemical Society","2004","126","","58","59","10.1021/ja0367748","","","0.7107","MoKα","","","0.045","","","","0.065","","","","","","0.989","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060203","5.477","0.005","11.963","0.005","19.287","0.005","95.137","0.005","93.217","0.005","96.157","0.005","1248.6","1.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-(4'-octyloxystyryl)pyridinato pentafluoroiodobenzene","","- C27 H27 F5 I N O -","- C27 H27 F5 I N O -","- C54 H54 F10 I2 N2 O2 -","2","1","","H. Loc Nguyen; Peter N. Horton; Michael B. Hursthouse; Anthony C. Legon; Duncan W. Bruce","Halogen Bonding: A New Interaction for Liquid Crystal Formation","Journal of the American Chemical Society","2004","126","","16","17","10.1021/ja036994l","","","0.71073","MoKα","","0.0565","0.0373","","","0.0731","0.0785","","","","","","1.04","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060204","5.2258","0.0005","8.7007","0.0009","22.97","0.002","90","","90","","90","","1044.42","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ala-gly-gly HCl","alanyl-glycyl-glycine hydrochloride","","- C7 H14 Cl N3 O4 -","- C7 H14 Cl N3 O4 -","- C28 H56 Cl4 N12 O16 -","4","1","","Chekmenev, Eduard Y.; Zhang, Qianwen; Waddell, Kevin W.; Mashuta, Mark S.; Wittebort, Richard J.","15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure","Journal of the American Chemical Society","2004","126","1","379","384","10.1021/ja0370342","","","0.71073","MoKα","","0.053","0.048","","","0.106","0.109","","","","","","1.05","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060205","6.989","0.0008","8.2684","0.001","21.834","0.003","90","","90","","90","","1261.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","gly-gly-val HCl","glycyl-glycyl-valine hydrochloride","","- C9 H18 Cl N3 O4 -","- C9 H18 Cl N3 O4 -","- C36 H72 Cl4 N12 O16 -","4","1","","Chekmenev, Eduard Y.; Zhang, Qianwen; Waddell, Kevin W.; Mashuta, Mark S.; Wittebort, Richard J.","15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure","Journal of the American Chemical Society","2004","126","1","379","384","10.1021/ja0370342","","","0.71073","MoKα","","0.027","0.024","","","0.054","0.055","","","","","","1.01","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060206","13.6343","0.0014","14.1508","0.0014","23.889","0.002","86.844","0.002","82.792","0.002","71.115","0.002","4325.9","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H44 N6 O19 S4 -","- C25 H20 N6 O15 -","- C100 H80 N24 O60 -","4","2","","Lara A. Estroff; Christopher D. Incarvito; Andrew D. Hamilton","Design of a Synthetic Foldamer that Modifies the Growth of Calcite Crystals","Journal of the American Chemical Society","2004","126","","2","3","10.1021/ja037614z","","","0.71073","MoKα","","0.1871","0.1289","","","0.3155","0.333","","","","","","1.479","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060207","7.7607","0.0004","10.097","0.001","13.895","0.001","89","2","84.063","0.003","70.988","0.003","1023.6","0.2","93.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N8 -","- C24 H19 N8 -","- C48 H38 N16 -","2","1","","Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura","Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3","Journal of the American Chemical Society","2004","126","","291","294","10.1021/ja0377697","","","0.7107","MoKα","","","0.056","","","","0.097","","","","","","0.44","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060208","7.8164","0.0007","10.3585","0.0003","14.02","0.001","88","2","83.944","0.003","69.911","0.003","1060","0.1","473.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N8 -","- C24 H19 N8 -","- C48 H38 N16 -","2","1","","Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura","Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3","Journal of the American Chemical Society","2004","126","","291","294","10.1021/ja0377697","","","0.7107","MoKα","","","0.073","","","","0.072","","","","","","0.674","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060209","7.8153","0.0005","10.186","0.0003","14.02","0.0007","89","2","84.021","0.003","70.743","0.003","1047.51","0.09","100.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N8 -","- C24 H19 N8 -","- C48 H38 N16 -","2","1","","Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura","Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3","Journal of the American Chemical Society","2004","126","","291","294","10.1021/ja0377697","","","0.7107","MoKα","","","0.052","","","","0.042","","","","","","0.429","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060210","7.851","0.001","10.454","0.002","14.074","0.003","88","2","83.455","0.008","69.668","0.007","1075.8","0.4","373.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N8 -","- C24 H19 N8 -","- C48 H38 N16 -","2","1","","Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura","Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3","Journal of the American Chemical Society","2004","126","","291","294","10.1021/ja0377697","","","0.7107","MoKα","","","0.069","","","","0.088","","","","","","0.902","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060211","9.1306","0.0005","13.241","0.0007","24.7714","0.0014","90","","94.356","0.001","90","","2986.2","0.3","446","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Cl2 P2 Zr -","- C28 H44 Cl2 P2 Zr -","- C112 H176 Cl8 P8 Zr4 -","4","1","","Eugene Y.-X. Chen; Richard E. Campbell; David D. Devore; D. Patrick Green; Bernie Link; Jorge Soto; David R. Wilson; Khalil A. Abboud","Divalentansa-Zirconocenes: Stereoselective Synthesis and High Activity for Propylene Polymerization","Journal of the American Chemical Society","2004","126","","42","43","10.1021/ja0381611","","","0.71073","MoKα","","0.0734","0.0337","","","0.0615","0.0664","","","","","","0.808","","","","has coordinates,has disorder","178491","2020-10-21","18:00:00",""
"4060212","12.3585","0.0001","12.4741","0.0002","16.6548","0.0003","95.175","0.001","95.375","0.001","113.504","0.001","2321.16","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C60.5 H56 Si Zr -","- C60.5 H55.5 Si Zr -","- C121 H111 Si2 Zr2 -","2","1","","Eugene Y.-X. Chen; Richard E. Campbell; David D. Devore; D. Patrick Green; Bernie Link; Jorge Soto; David R. Wilson; Khalil A. Abboud","Divalentansa-Zirconocenes: Stereoselective Synthesis and High Activity for Propylene Polymerization","Journal of the American Chemical Society","2004","126","","42","43","10.1021/ja0381611","","","0.71073","MoKα","","0.0386","0.0317","","","0.082","0.084","","","","","","1.029","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060213","26.7687","0.0011","8.7564","0.0003","8.0887","0.0004","90","","91.063","0.002","90","","1895.64","0.14","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cp2Zr(mu:hapto-2:hapto2-1,2,3-butatriene)Zr(PMe3)Cp2 6","","- C22 H30 Zr -","- C22 H30 Zr -","- C88 H120 Zr4 -","4","1","","Noriyuki Suzuki; Naoto Aihara; Hidemichi Takahara; Takaaki Watanabe; Masakazu Iwasaki; Masahiko Saburi; Daisuke Hashizume; Teiji Chihara","Synthesis and Structure of 1-Zirconacyclopent-3-yne Complexes without Substituents Adjacent to the Triple Bond","Journal of the American Chemical Society","2004","126","","60","61","10.1021/ja0385742","","","0.71073","MoKα","","0.0381","0.0303","","","0.0667","0.0688","","","","","","1.151","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060214","10.5259","0.0002","33.0858","0.0004","8.2256","0.0001","90","","105.661","0.0005","90","","2758.28","0.07","200.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 P Zr2 -","- C27 H33 P Zr2 -","- C108 H132 P4 Zr8 -","4","1","","Noriyuki Suzuki; Naoto Aihara; Hidemichi Takahara; Takaaki Watanabe; Masakazu Iwasaki; Masahiko Saburi; Daisuke Hashizume; Teiji Chihara","Synthesis and Structure of 1-Zirconacyclopent-3-yne Complexes without Substituents Adjacent to the Triple Bond","Journal of the American Chemical Society","2004","126","","60","61","10.1021/ja0385742","","","0.7107","MoKα","","","0.0409","","","","0.1316","","","","","","1.707","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060215","11.715","0.002","10.248","0.002","15.159","0.003","90","","91.81","0.02","90","","1819","0.7","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","manganese(II) formate dioxane solvate","","","- C3.33 H4.67 Mn O4.67 -","- C3.33333 H4.66667 Mn O4.66667 -","- C40 H56 Mn12 O56 -","12","3","","Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim","Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties","Journal of the American Chemical Society","2004","126","","32","33","10.1021/ja038678c","","","0.71073","MoKα","","0.0604","0.0507","","","0.1242","0.1303","","","","","","1.041","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060216","11.7203","0.0012","10.207","0.0011","14.9556","0.0015","90","","91.439","0.002","90","","1788.6","0.3","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","manganese(II) formate","","","- C2 H2 Mn O4 -","- C2 H2 Mn O4 -","- C24 H24 Mn12 O48 -","12","3","","Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim","Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties","Journal of the American Chemical Society","2004","126","","32","33","10.1021/ja038678c","","","0.71073","MoKα","","0.0595","0.0497","","","0.1177","0.1225","","","","","","1.084","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060217","12.8962","0.0014","8.3888","0.0009","11.6442","0.0013","90","","90","","90","","1259.7","0.2","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H2 Mn O4 -","- C6 H6 Mn3 O12 -","- C24 H24 Mn12 O48 -","4","1","","Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim","Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties","Journal of the American Chemical Society","2004","126","","32","33","10.1021/ja038678c","","","0.71073","MoKα","","0.0473","0.044","","","0.1097","0.1118","","","","","","1.033","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062739","14.903","0.008","10.168","0.002","20.654","0.01","89","","89","","90","","3129","4","293.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H30 F12 Fe4 O2 P2 -","- C28 F12 Fe4 O2 P2 -","- C112 F48 Fe16 O8 P8 -","4","0.5","","Masaaki Okazaki; Takeo Ohtani; Hiroshi Ogino","Reversible Cleavage and Recombination of an Acetylenic Carbon-Carbon Bond on a Tetrairon Cluster Coupled with a Two-Electron Redox Reaction","Journal of the American Chemical Society","2004","126","","4104","4105","10.1021/ja049720m","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062742","9.353","0.001","15.634","0.001","32.792","0.004","90","","98.174","0.008","90","","4746","0.8","150.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 Fe8 O4 -","- C56 H60 Fe8 O4 -","- C224 H240 Fe32 O16 -","4","1","","Masaaki Okazaki; Takeo Ohtani; Hiroshi Ogino","Reversible Cleavage and Recombination of an Acetylenic Carbon-Carbon Bond on a Tetrairon Cluster Coupled with a Two-Electron Redox Reaction","Journal of the American Chemical Society","2004","126","","4104","4105","10.1021/ja049720m","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062792","11.128","0.0018","11.1646","0.0018","13.098","0.002","84.261","0.003","84.977","0.003","80.62","0.003","1593.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 N P2 Rh -","- C38 H36 N P2 Rh -","- C76 H72 N2 P4 Rh2 -","2","1","","Krug, Christopher; Hartwig, John F.","Imine Insertion into a Late Metal–Carbon Bond To Form a Stable Amido Complex","Journal of the American Chemical Society","2004","126","9","2694","2695","10.1021/ja038819a","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062793","20.443","0.004","13.454","0.003","20.069","0.004","90","","110.31","0.03","90","","5176.4","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H59 N2 O2 P2 Rh -","- C61 H51 N2 O2 P2 Rh -","- C244 H204 N8 O8 P8 Rh4 -","4","1","","Krug, Christopher; Hartwig, John F.","Imine Insertion into a Late Metal‒Carbon Bond To Form a Stable Amido Complex","Journal of the American Chemical Society","2004","126","9","2694","2695","10.1021/ja038819a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219031","2020-10-21","18:00:00",""
"4062795","14.72","0.003","29.946","0.006","18.379","0.004","90","","98.62","0.03","90","","8010","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 N O P2 Rh -","- C48 H44 N O P2 Rh -","- C384 H352 N8 O8 P16 Rh8 -","8","1","","Krug, Christopher; Hartwig, John F.","Imine Insertion into a Late Metal‒Carbon Bond To Form a Stable Amido Complex","Journal of the American Chemical Society","2004","126","9","2694","2695","10.1021/ja038819a","","","","","","","","","","","","","","","","","","","","","has coordinates","219031","2020-10-21","18:00:00",""
"4062964","19.2002","0.0011","12.8053","0.0007","23.2887","0.0013","90","","110.996","0.001","90","","5345.7","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 B F3 Mo N9 O4 S -","- C20 H25 B F3 Mo N9 O4 S -","- C160 H200 B8 F24 Mo8 N72 O32 S8 -","8","2","","Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman","Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments","Journal of the American Chemical Society","2004","126","","6806","6815","10.1021/ja039824h","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4100747","6.4552","0.0008","14.6777","0.0018","11.1916","0.0014","90","","102.127","0.003","90","","1036.7","0.2","180","2","180","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl N2 O2 Ru S -","- C22 H23 Cl N2 O2 Ru S -","- C44 H46 Cl2 N4 O4 Ru2 S2 -","2","1","","Jérôme Hannedouche; Guy J. Clarkson; Martin Wills","A New Class of ""Tethered"" Ruthenium(II) Catalyst for Asymmetric Transfer Hydrogenation Reactions","Journal of the American Chemical Society","2004","126","","986","987","10.1021/ja0392768","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100748","10.627","0.001","12.109","0.001","10.746","0.001","90","","113.193","0.001","90","","1271.2","0.2","118.2","","118.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H45 N Zr -","- C29 H45 N Zr -","- C58 H90 N2 Zr2 -","2","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100749","10.875","0.001","14.488","0.002","16.803","0.002","90","","93.866","0.002","90","","2641.3","0.6","123.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H45 N Si Zr -","- C28 H45 N Si Zr -","- C112 H180 N4 Si4 Zr4 -","4","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100750","9.4742","0.0004","13.8006","0.0006","19.2257","0.0008","90","","101.227","0.001","90","","2465.6","0.2","153.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 N Zr -","- C29 H38 N2 Zr -","- C116 H152 N8 Zr4 -","4","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100751","17.318","0.001","8.644","0.0006","33.192","0.002","89","","89","","90","","4968","1","123.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H33 F5 N2 Zr -","- C29 H33 F5 N2 Zr -","- C232 H264 F40 N16 Zr8 -","8","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100752","17.435","0.002","19.005","0.002","20.564","0.002","102.42","0.01","100.449","0.01","94.71","0.01","6491.9","1.2","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C261 H166 N34 O36 -","- C279 H262 N33 O35 -","- C279 H262 N33 O35 -","1","1","","Hua Jiang; Christel Dolain; Jean-Michel Léger; Heinz Gornitzka; Ivan Huc","Switching of Chiral Induction in Helical Aromatic Oligoamides Using Solid State-Solution State Equilibrium","Journal of the American Chemical Society","2004","126","","1034","1035","10.1021/ja039511m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100753","40.652","0.008","40.652","0.008","14.256","0.004","90","","90","","120","","20403","8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C33 H61 N4 O3 Si4 U -","- C32.5 H54 N4 O3 Si4 U -","- C585 H972 N72 O54 Si72 U18 -","18","1","","Mark J. Sarsfield; Madeleine Helliwell","Extending the Chemistry of the Uranyl Ion: Lewis Acid Coordination to a UO Oxygen","Journal of the American Chemical Society","2004","126","","1036","1037","10.1021/ja039101y","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100754","13.4316","0.001","15.6084","0.0012","17.2314","0.0013","112.095","0.001","93.246","0.001","112.454","0.001","3007.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H58.5 B F15 N4 O2 Si4 U -","- C54.5 H58.5 B F15 N4 O2 Si4 U -","- C109 H117 B2 F30 N8 O4 Si8 U2 -","2","1","","Mark J. Sarsfield; Madeleine Helliwell","Extending the Chemistry of the Uranyl Ion: Lewis Acid Coordination to a UO Oxygen","Journal of the American Chemical Society","2004","126","","1036","1037","10.1021/ja039101y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100755","7.9334","0.0016","35.541","0.008","13.126","0.003","90","","90.061","0.004","90","","3700.9","1.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15 Br O5 S -","- C20 H15 Br O5 S -","- C160 H120 Br8 O40 S8 -","8","4","","J. Adam McCubbin; Xia Tong; Ruiyao Wang; Yue Zhao; Victor Snieckus; Robert P. Lemieux","Directed Metalation Route to Ferroelectric Liquid Crystals with a Chiral Fluorenol Core: The Effect of Restricted Rotation on Polar Order","Journal of the American Chemical Society","2004","126","","1161","1167","10.1021/ja038920f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100756","9.933","0.009","16.926","0.016","16.484","0.015","90","","105.77","0.02","90","","2667","4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 F3 O3 P Pd S -","- C25 H38 F3 O3 P Pd S -","- C100 H152 F12 O12 P4 Pd4 S4 -","4","1","","James P. Stambuli; Christopher D. Incarvito; Michael Bühl; John F. Hartwig","Synthesis, Structure, Theoretical Studies, and Ligand Exchange Reactions of Monomeric, T-Shaped Arylpalladium(II) Halide Complexes with an Additional, Weak Agostic Interaction","Journal of the American Chemical Society","2004","126","","1184","1194","10.1021/ja037928m","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100757","8.7046","0.0017","17.837","0.004","12.781","0.003","90","","93.54","0.03","90","","1980.6","0.7","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Br P Pd -","- C18 H32 Br P Pd -","- C72 H128 Br4 P4 Pd4 -","4","1","","James P. Stambuli; Christopher D. Incarvito; Michael Bühl; John F. Hartwig","Synthesis, Structure, Theoretical Studies, and Ligand Exchange Reactions of Monomeric, T-Shaped Arylpalladium(II) Halide Complexes with an Additional, Weak Agostic Interaction","Journal of the American Chemical Society","2004","126","","1184","1194","10.1021/ja037928m","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100758","15.38","0.003","18.945","0.004","17.221","0.003","90","","116.14","0.03","90","","4504.4","1.6","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Br Fe P Pd -","- C54 H52 Br Fe P Pd -","- C216 H208 Br4 Fe4 P4 Pd4 -","4","1","","James P. Stambuli; Christopher D. Incarvito; Michael Bühl; John F. Hartwig","Synthesis, Structure, Theoretical Studies, and Ligand Exchange Reactions of Monomeric, T-Shaped Arylpalladium(II) Halide Complexes with an Additional, Weak Agostic Interaction","Journal of the American Chemical Society","2004","126","","1184","1194","10.1021/ja037928m","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100759","12.7858","0.0005","21.2972","0.0008","5.1864","0.0002","90","","90","","90","","1412.27","0.09","104","2","104","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H16 Cu Mn N2 O11 -","- C7 H16 Cu Mn N2 O11 -","- C28 H64 Cu4 Mn4 N8 O44 -","4","0.5","","Sébastien Pillet; Mohamed Souhassou; Corine Mathonière; Claude Lecomte","Electron Density Distribution of an Oxamato Bridged Mn(II)-Cu(II) Bimetallic Chain and Correlation to Magnetic Properties","Journal of the American Chemical Society","2004","126","","1219","1228","10.1021/ja030279u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100760","8.0836","0.0004","8.643","0.0004","14.6083","0.0007","88.564","0.002","86.5951","0.0018","85.039","0.002","1014.84","0.08","150","1","150","1","","","","","","","","9","P -1","-P 1","2","","","","- C11 H19 Cl2 F3 N3 O3 P S Si -","- C11 H19 Cl2 F3 N3 O3 P S Si -","- C22 H38 Cl4 F6 N6 O6 P2 S2 Si2 -","2","1","","Eric Rivard; Keith Huynh; Alan J. Lough; Ian Manners","Donor-Stabilized Cations and Imine Transfer from N-Silylphosphoranimines","Journal of the American Chemical Society","2004","126","","2286","2287","10.1021/ja039549z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100761","9.6148","0.0019","14.361","0.003","15.621","0.003","90","","91.421","0.001","90","","2156.2","0.8","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl N O4 -","- C25 H26 Cl N O4 -","- C100 H104 Cl4 N4 O16 -","4","1","","Patrick D. Pohlhaus; Roy K. Bowman; Jeffrey S. Johnson","Lewis Acid-Promoted Carbon-Carbon Bond Cleavage of Aziridines: Divergent Cycloaddition Pathways of the Derived Ylides","Journal of the American Chemical Society","2004","126","","2294","2295","10.1021/ja0397963","","","","","","","0.047","","","0.055","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100762","8.7338","0.0012","12.7194","0.0017","18.17","0.002","90","","90","","90","","2018.5","0.5","218","2","218","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 F5 I Ir P -","- C16 H24 F5 I Ir P -","- C64 H96 F20 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Reductive Activation of Carbon-Fluorine Bonds in Perfluoroalkyl Ligands: An Unexpected Route to the Only Known Tetrafluorobutatriene Transition Metal Complex: Ir(η5-C5Me5)(PMe3)(2,3-η2-CF2CCCF2)","Journal of the American Chemical Society","2004","126","","2308","2309","10.1021/ja031598o","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100763","14.8099","0.0008","10.7468","0.0006","12.6011","0.0007","90","","110.006","0.0011","90","","1884.56","0.18","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 F4 Ir P -","- C17 H24 F4 Ir P -","- C68 H96 F16 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Reductive Activation of Carbon-Fluorine Bonds in Perfluoroalkyl Ligands: An Unexpected Route to the Only Known Tetrafluorobutatriene Transition Metal Complex: Ir(η5-C5Me5)(PMe3)(2,3-η2-CF2CCCF2)","Journal of the American Chemical Society","2004","126","","2308","2309","10.1021/ja031598o","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100764","18.4013","0.0007","12.0982","0.0005","22.3482","0.0008","90","","90","","90","","4975.2","0.3","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C59 H57 Cl N2 P2 Ru -","- C58.994 H56.994 Cl N2 P2 Ru -","- C235.976 H227.976 Cl4 N8 P8 Ru4 -","4","1","","Christine Bibal; Maren Pink; Yegor D. Smurnyy; John Tomaszewski; Kenneth G. Caulton","Multifunctional Behavior by a Bis-(phosphinimino)methanide Ligand: η2- vs η3-coordination vs Bronsted Basicity","Journal of the American Chemical Society","2004","126","","2312","2313","10.1021/ja039711y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100765","8.029","0.0016","11.253","0.002","20.472","0.004","90","","105.38","0.03","90","","1783.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trans-[(NH3)2Pt(1,9-DimeAH-N7)2](ClO4)4*4H2O","","","- C14 H26 Cl4 N12 O20 Pt -","- C14 H26 Cl4 N12 O20 Pt -","- C28 H52 Cl8 N24 O40 Pt2 -","2","0.5","","Michael Roitzsch; Bernhard Lippert","Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of Strongly Shifted Adenine pKa Values","Journal of the American Chemical Society","2004","126","","2421","2424","10.1021/ja038834f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100766","13.026","0.003","21.698","0.004","19.871","0.004","90","","96.78","0.03","90","","5577","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trans-[(NH3)2Pt(1,9-DimeAH-N7)(1,9-DimeA-N7)](ClO4)3*1.5H2O","","","- C14 H25 Cl3 N12 O13.5 Pt -","- C14 H25 Cl3 N12 O13.5 Pt -","- C112 H200 Cl24 N96 O108 Pt8 -","8","2","","Michael Roitzsch; Bernhard Lippert","Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of Strongly Shifted Adenine pKa Values","Journal of the American Chemical Society","2004","126","","2421","2424","10.1021/ja038834f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100767","8.427","0.0017","12.633","0.003","13.015","0.003","101.34","0.03","100.41","0.03","101.76","0.03","1294.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","trans-[(NH3)2Pt(1,9-DimeA-N7)2](ClO4)2*H2O","","","- C14 H26 Cl2 N12 O9 Pt -","- C14 H26 Cl2 N12 O9 Pt -","- C28 H52 Cl4 N24 O18 Pt2 -","2","1","","Michael Roitzsch; Bernhard Lippert","Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of Strongly Shifted Adenine pKa Values","Journal of the American Chemical Society","2004","126","","2421","2424","10.1021/ja038834f","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100768","12.807","0.002","15.541","0.002","12.621","0.001","109.209","0.004","109.749","0.005","80.477","0.005","2228.5","0.4","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H43 N8 O10 P Zn2 -","- C46 H41 N7 O7 P Zn2 -","- C92 H82 N14 O14 P2 Zn4 -","2","1","","Akio Ojida; Yasuko Mito-oka; Kazuki Sada; Itaru Hamachi","Molecular Recognition and Fluorescence Sensing of Monophosphorylated Peptides in Aqueous Solution by Bis(zinc(II)-dipicolylamine)-Based Artificial Receptors","Journal of the American Chemical Society","2004","126","","2454","2463","10.1021/ja038277x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100769","26.4164","0.0005","26.4164","0.0005","13.6104","0.0002","90","","90","","120","","8225.2","0.3","150","1","150","1","","","","","","","","5","P 63","P 6c","173","","","","- C132 H234 O21 P12 Pt6 -","- C132 H216 O21.03 P12 Pt6 -","- C264 H432 O42.06 P24 Pt12 -","2","0.333333","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100770","26.2312","0.0009","26.2312","0.0009","14.5061","0.0005","90","","90","","120","","8644.1","0.5","150","1","150","1","","","","","","","","6","P 63","P 6c","173","","","","- C140 H218 Cl6 O12 P12 Pt6 -","- C139.99 H217.99 Cl5.97 O12 P12 Pt6 -","- C279.98 H435.98 Cl11.94 O24 P24 Pt12 -","2","0.333333","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100771","65.582","0.0013","13.9473","0.0003","18.5091","0.0004","90","","96.5331","0.0008","90","","16820.2","0.6","150","1","150","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C95 H147 Cl9 O8 P8 Pt4 -","- C95 H147 Cl9 O8 P8 Pt4 -","- C570 H882 Cl54 O48 P48 Pt24 -","6","1.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100772","17.2967","0.0002","21.7453","0.0002","26.3952","0.0003","90","","90","","90","","9927.81","0.19","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H146 N2 O10 P8 Pt4 -","- C90 H146 N2 O10 P8 Pt4 -","- C360 H584 N8 O40 P32 Pt16 -","4","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100773","12.293","0.0002","13.3346","0.0002","18.4568","0.0003","83.6936","0.0011","82.6978","0.0009","63.396","0.001","2678.43","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C90 H146 Cl6 O8 P8 Pt4 -","- C90 H146 Cl6 O8 P8 Pt4 -","- C90 H146 Cl6 O8 P8 Pt4 -","1","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100774","10.1898","0.0001","17.496","0.0004","20.0771","0.0004","65.8038","0.0009","89.45","0.0012","88.8228","0.0013","3264.21","0.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C108 H156 Cl12 O8 P8 Pt4 -","- C108 H156 Cl12 O8 P8 Pt4 -","- C108 H156 Cl12 O8 P8 Pt4 -","1","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100775","10.237","0.0003","15.5079","0.0004","21.7184","0.0007","110.764","0.0015","92.4544","0.0021","102.612","0.0018","3118.72","0.16","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C107 H155 Cl9 N4 O8 P8 Pt4 -","- C107 H155 Cl9 N4 O8 P8 Pt4 -","- C107 H155 Cl9 N4 O8 P8 Pt4 -","1","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100776","40.5363","0.0008","7.6077","0.0001","10.7656","0.0002","90","","96.553","0.002","90","","3298.29","0.1","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C128 H208 O24 -","8","2","","Svetlana A. Burova; Frank E. McDonald","Total Synthesis of the Polyene-Polyol Macrolide RK-397, Featuring Cross-Couplings of Alkynylepoxide Modules","Journal of the American Chemical Society","2004","126","","2495","2500","10.1021/ja039618+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100777","16.827","0.003","11.191","0.002","34.119","0.007","90","","99.31","0.03","90","","6340","2","301","2","301","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 Cl3 F6 N4 P Ru -","- C25 H44 Cl3 F6 N4 P Ru -","- C200 H352 Cl24 F48 N32 P8 Ru8 -","8","2","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100778","10.599","0.002","9.24","0.0018","18.651","0.004","90","","93.14","0.03","90","","1823.8","0.6","301","2","301","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H50 Cl3 F6 N4 P Ru -","- C32 H50 Cl3 F6 N4 P Ru -","- C64 H100 Cl6 F12 N8 P2 Ru2 -","2","1","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100779","8.875","0.002","11.351","0.002","33.375","0.007","90","","90","","90","","3362.2","1.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 Cl F6 N4 P Ru -","- C31 H46 Cl F6 N4 P Ru -","- C124 H184 Cl4 F24 N16 P4 Ru4 -","4","1","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100780","14.517","0.003","31.896","0.006","10.38","0.002","90","","133.14","0.03","90","","3507.1","1.2","301","2","301","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H50 Cl F6 N4 P Ru -","- C33 H50 Cl F6 N4 P Ru -","- C132 H200 Cl4 F24 N16 P4 Ru4 -","4","0.5","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100781","15.7889","0.0011","18.3915","0.0012","19.4754","0.0013","71.026","0.001","73.109","0.001","89.8","0.001","5091.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H127 Co N7 Si -","- C123 H118 Co N7 Si -","- C246 H236 Co2 N14 Si2 -","2","1","","Bobby Ramdhanie; Joshua Telser; Andrea Caneschi; Lev N. Zakharov; Arnold L. Rheingold; David P. Goldberg","An Example of O2 Binding in a Cobalt(II) Corrole System and High-Valent Cobalt-Cyano and Cobalt-Alkynyl Complexes","Journal of the American Chemical Society","2004","126","","2515","2525","10.1021/ja036983s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100782","9.6251","0.0017","10.1925","0.0018","15.986","0.003","84.335","0.003","78.348","0.004","89.358","0.003","1528.4","0.5","496","2","496","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H27 N9 O13 Pt2 -","- C15 H27 N9 O13 Pt2 -","- C30 H54 N18 O26 Pt4 -","2","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100783","9.6133","0.0006","10.0893","0.0007","17.1561","0.0011","106.867","0.001","100.741","0.001","93.34","0.001","1553.3","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14.5 H43 N9 O13.5 Pt2 -","- C13 N9 O12 Pt2 -","- C26 N18 O24 Pt4 -","2","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100784","9.5166","0.0015","10.1385","0.0017","16.124","0.003","84.358","0.003","78.82","0.003","88.152","0.003","1518.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H41 N10 O17 Pt2 -","- C15 N9 O13 Pt2 -","- C30 N18 O26 Pt4 -","2","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100785","9.4625","0.0004","10.0973","0.0004","30.1278","0.0012","90","","96.449","0.001","90","","2860.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H39 N9 O13 Pt2 -","- C14 N9 O13 Pt2 -","- C56 N36 O52 Pt8 -","4","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100786","9.807","0.008","10.045","0.008","14.724","0.011","88.363","0.014","82.96","0.012","84.854","0.014","1433.5","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H39 N9 O12 Pt2 -","- C14 N9 O12 Pt2 -","- C28 N18 O24 Pt4 -","2","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100787","10.134","0.001","10.2","0.001","19.395","0.001","90","","90","","90","","2004.8","0.3","120","2","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C6 H27 F6 N5 O5 P2 Ru -","- C6 H27 F6 N5 O5 P2 Ru -","- C24 H108 F24 N20 O20 P8 Ru4 -","4","1","","Rose Maria Carlos; Daniel Rodrigues Cardoso; Eduardo Ernesto Castellano; Renata Zachi Osti; Ademir João Camargo; Luis Guilherme Macedo; Douglas Wagner Franco","Reactivity of Radicals Generated on Irradiation of trans-[Ru(NH3)4(NO2)P(OEt)3](PF6)","Journal of the American Chemical Society","2004","126","","2546","2555","10.1021/ja0373263","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100788","15.458","0.003","14.22","0.003","14.245","0.003","90","","99.84","0.01","90","","3085.2","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H24 Gd0.5 N2 Na0.5 O7 -","- C11 H24 Gd0.5 N2 Na0.5 O7 -","- C88 H192 Gd4 N16 Na4 O56 -","8","1","","Weisheng Liu; Tianquan Jiao; Yizhi Li; Quanzhong Liu; Minyu Tan; Hong Wang; Liufang Wang","Lanthanide Coordination Polymers and Their Ag±Modulated Fluorescence","Journal of the American Chemical Society","2004","126","","2280","2281","10.1021/ja036635q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100789","10.1889","0.0013","11.05","0.003","19.46","0.002","87.09","0.03","77.37","0.02","89.02","0.02","2135.1","0.7","93.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Kohtaro Osakada","Formation of Pseudorotaxane Induced by Electrochemical Oxidation of Ferrocene-Containing Axis Molecule in the Presence of Crown Ether","Journal of the American Chemical Society","2004","126","","3684","3685","10.1021/ja039899l","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100790","10.5206","0.0008","19.82","0.002","13.2299","0.0002","90","","101.937","0.0003","90","","2699","0.3","295.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 B N7 O2 Ru -","- C27 H26 B N7 O2 Ru -","- C108 H104 B4 N28 O8 Ru4 -","4","1","","Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi","Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products","Journal of the American Chemical Society","2004","126","","3706","3707","10.1021/ja039365k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100791","24.981","0.004","14.817","0.002","15.9869","0.0004","90","","114.257","0.0008","90","","5395","1","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 B N7 O2 Ru -","- C27 H26 B N7 O2 Ru -","- C216 H208 B8 N56 O16 Ru8 -","8","1","","Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi","Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products","Journal of the American Chemical Society","2004","126","","3706","3707","10.1021/ja039365k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100792","9.163","0.002","12.631","0.003","13.078","0.003","76.4","0.01","89.411","0.003","78.864","0.002","1442.5","0.6","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 B N7 O4 Ru -","- C27 H24 B N7 O4 Ru -","- C54 H48 B2 N14 O8 Ru2 -","2","1","","Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi","Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products","Journal of the American Chemical Society","2004","126","","3706","3707","10.1021/ja039365k","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100793","23.365","0.004","10.161","0.0008","23.375","0.001","90","","101.44","0.001","90","","5439","1","295.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 B N7 O2 Ru -","- C25 H22 B N7 O2 Ru -","- C200 H176 B8 N56 O16 Ru8 -","8","1","","Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi","Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products","Journal of the American Chemical Society","2004","126","","3706","3707","10.1021/ja039365k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100794","9.7951","0.0009","15.3104","0.0013","18.4426","0.0017","101.362","0.002","104.892","0.002","92.428","0.002","2607.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H56 N8 O10 -","- C52 H56 N8 O10 -","- C104 H112 N16 O20 -","2","1","","Yoshihiko Yamamoto; Jun-ichi Ishii; Hisao Nishiyama; Kenji Itoh","Ru(II)-Catalyzed Chemo- and Regioselective Cyclotrimerization of Three Unsymmetrical Alkynes through Boron Temporary Tether. One-Pot Four-Component Coupling via Cyclotrimerization/Suzuki-Miyaura Coupling","Journal of the American Chemical Society","2004","126","","3712","3713","10.1021/ja049673y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100795","9.7618","0.001","11.1373","0.0012","13.994","0.002","75.116","0.007","88.385","0.005","81.432","0.004","1453.9","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N O3 Si -","- C35 H27 N O3 Si -","- C70 H54 N2 O6 Si2 -","2","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100796","12.16","0.0009","8.938","0.0007","27.063","0.002","90","","95.257","0.004","90","","2929","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N O Si -","- C36 H27 N O Si -","- C144 H108 N4 O4 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100797","12.8027","0.0003","12.3508","0.0003","19.4729","0.0005","90","","104.243","0.002","90","","2984.48","0.13","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N2 O2 Si -","- C36 H30 N2 O2 Si -","- C144 H120 N8 O8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100798","13.56","0.001","11.1079","0.0009","20.257","0.002","90","","97.208","0.004","90","","3027.1","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 N2 Si -","- C37 H30 N2 Si -","- C148 H120 N8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100799","21.4414","0.0002","14.376","0.0003","9.1017","0.0005","90","","90","","90","","2805.52","0.17","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H26 N2 O2 Si -","- C34 H26 N2 O2 Si -","- C136 H104 N8 O8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100800","21.8115","0.0004","14.0448","0.0002","9.2118","0.0001","90","","90","","90","","2821.93","0.07","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35 H26 N2 Si -","- C35 H26 N2 Si -","- C140 H104 N8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100801","41.7907","0.0009","7.5006","0.0001","17.4735","0.0003","90","","90","","90","","5477.16","0.17","293","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C35 H28 O Si -","- C35 H28 O Si -","- C280 H224 O8 Si8 -","8","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100802","10.425","0.002","10.502","0.002","10.984","0.002","76.11","0.03","83.4","0.03","66.3","0.03","1068.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br2 N4 O4 -","- C20 H22 Br2 N4 O4 -","- C40 H44 Br4 N8 O8 -","2","1","","Phil S. Baran; Alexandros L. Zografos; Daniel P. O'Malley","Short Total Synthesis of (\±)-Sceptrin","Journal of the American Chemical Society","2004","126","","3726","3727","10.1021/ja049648s","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100803","20.363","0.002","19.4145","0.0019","13.8696","0.0013","90","","94.4","0.002","90","","5466.9","0.9","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Fe2 N8 Ru2 -","- C60 H62 Fe2 N8 Ru2 -","- C240 H248 Fe8 N32 Ru8 -","4","1","","Guo-Lin Xu; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","trans-Bis(alkynyl) Diruthenium(III) Tetra(amidinate): An Effective Facilitator of Electronic Delocalization","Journal of the American Chemical Society","2004","126","","3728","3729","10.1021/ja049915u","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100804","9.9354","0.001","11.882","0.002","12.041","0.002","90","","115.247","0.011","90","","1285.7","0.4","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 O4 -","- C11 H20 O4 -","- C44 H80 O16 -","4","1","","A. Tessa ten Cate; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E.W. Meijer","Conformational control in cyclization of hydrogen-bonded supramolecular polymers","Journal of the American Chemical Society","2004","126","","3801","3808","10.1021/ja039408x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100805","6.17","0.0009","9.9686","0.0015","12.025","0.003","90","","118.864","0.016","90","","647.7","0.2","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 O4 -","- C12 H22 O4 -","- C24 H44 O8 -","2","0.5","","A. Tessa ten Cate; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E.W. Meijer","Conformational control in cyclization of hydrogen-bonded supramolecular polymers","Journal of the American Chemical Society","2004","126","","3801","3808","10.1021/ja039408x","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100806","12.488","0.002","11.018","0.002","11.207","0.002","90","","112.319","0.01","90","","1426.5","0.4","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 O4 -","- C13 H24 O4 -","- C52 H96 O16 -","4","1","","A. Tessa ten Cate; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E.W. Meijer","Conformational control in cyclization of hydrogen-bonded supramolecular polymers","Journal of the American Chemical Society","2004","126","","3801","3808","10.1021/ja039408x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100807","18.3004","0.0006","10.759","0.003","11.458","0.002","90","","90","","90","","2255.9","0.8","223.2","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H18 Co N8 O8 -","- C22 H18 Co N8 O8 -","- C88 H72 Co4 N32 O32 -","4","0.5","","Kazuhiro Uemura; Susumu Kitagawa; Kôichi Fukui; Kazuya Saito","A Contrivance for a Dynamic Porous Framework: Cooperative Guest Adsorption Based on Square Grids Connected by Amide-Amide Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","3817","3828","10.1021/ja039914m","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100808","10.481","0.007","19.03","0.01","10.894","0.008","90","","90","","90","","2172","2","293.2","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C22 H16 Br2 Co N6 O2 -","- C22 H16 Br2 Co N6 O2 -","- C88 H64 Br8 Co4 N24 O8 -","4","0.25","","Kazuhiro Uemura; Susumu Kitagawa; Kôichi Fukui; Kazuya Saito","A Contrivance for a Dynamic Porous Framework: Cooperative Guest Adsorption Based on Square Grids Connected by Amide-Amide Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","3817","3828","10.1021/ja039914m","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100809","11.115","0.003","22.046","0.007","9.717","0.003","90","","100.834","0.007","90","","2338","1","293.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 Co N8 O6 S2 -","- C40 H26 Co N8 O6 S2 -","- C80 H52 Co2 N16 O12 S4 -","2","0.5","","Kazuhiro Uemura; Susumu Kitagawa; Kôichi Fukui; Kazuya Saito","A Contrivance for a Dynamic Porous Framework: Cooperative Guest Adsorption Based on Square Grids Connected by Amide-Amide Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","3817","3828","10.1021/ja039914m","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100810","7.1177","0.0001","15.9835","0.0003","12.2135","0.0002","90","","100.343","0.001","90","","1366.9","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C64 H52 N4 O20 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100811","7.18","0.0001","16.0048","0.0003","12.2543","0.0002","90","","100.671","0.001","90","","1383.84","0.04","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C64 H52 N4 O20 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100812","7.2913","0.0001","16.0408","0.0003","12.3333","0.0002","90","","101.273","0.001","90","","1414.65","0.04","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C64 H52 N4 O20 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100813","8.0343","0.0002","12.1631","0.0003","12.5018","0.0003","90","","94.9","0.002","90","","1217.24","0.05","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100814","8.0461","0.0002","12.1734","0.0002","12.5136","0.0003","90","","94.872","0.0007","90","","1221.26","0.05","125","","125","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100815","8.0738","0.0002","12.1896","0.0002","12.5397","0.0003","90","","94.782","0.0008","90","","1229.82","0.05","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100816","8.1582","0.0003","12.2379","0.0004","12.6372","0.0005","90","","94.64","0.002","90","","1257.55","0.08","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100817","10.4208","0.0001","15.3407","0.0002","19.1777","0.0003","90","","90","","90","","3065.79","0.07","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100818","10.4213","0.0001","15.3544","0.0002","19.2246","0.0003","90","","90","","90","","3076.18","0.07","125","","125","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100819","10.4219","0.0001","15.3837","0.0002","19.3309","0.0003","90","","90","","90","","3099.27","0.07","175","","175","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100820","10.4126","0.0002","15.4723","0.0002","19.6515","0.0004","90","","90","","90","","3165.99","0.1","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4112128","10.7686","0.0004","23.4769","0.0009","11.4898","0.0004","90","","112.759","0.001","90","","2678.61","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Lu2 N6 O2 Si8 -","- C32 H88 Lu2 N6 O2 Si8 -","- C64 H176 Lu4 N12 O4 Si16 -","2","0.5","","William J. Evans; David S. Lee; Joseph W. Ziller","Reduction of Dinitrogen to Planar Bimetallic M2(μ-η2:η2-N2) Complexes of Y, Ho, Tm, and Lu Using the K/Ln[N(SiMe3)2]3 Reduction System","Journal of the American Chemical Society","2004","126","","454","455","10.1021/ja036923m","","","0.71073","MoKα","","0.0235","0.0207","","","0.0448","0.0457","","","","","","1.091","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112129","10.8258","0.0004","23.5068","0.001","11.5787","0.0005","90","","112.683","0.001","90","","2718.64","0.19","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 N6 O2 Si8 Y2 -","- C32 H88 N6 O2 Si8 Y2 -","- C64 H176 N12 O4 Si16 Y4 -","2","0.5","","William J. Evans; David S. Lee; Joseph W. Ziller","Reduction of Dinitrogen to Planar Bimetallic M2(μ-η2:η2-N2) Complexes of Y, Ho, Tm, and Lu Using the K/Ln[N(SiMe3)2]3 Reduction System","Journal of the American Chemical Society","2004","126","","454","455","10.1021/ja036923m","","","0.71073","MoKα","","0.0372","0.0286","","","0.0654","0.0689","","","","","","1.042","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112130","10.8135","0.0004","23.4721","0.0009","11.546","0.0004","90","","112.587","0.001","90","","2705.77","0.17","172","2","172","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Ho2 N6 O2 Si8 -","- C32 H88 Ho2 N6 O2 Si8 -","- C64 H176 Ho4 N12 O4 Si16 -","2","0.5","","William J. Evans; David S. Lee; Joseph W. Ziller","Reduction of Dinitrogen to Planar Bimetallic M2(μ-η2:η2-N2) Complexes of Y, Ho, Tm, and Lu Using the K/Ln[N(SiMe3)2]3 Reduction System","Journal of the American Chemical Society","2004","126","","454","455","10.1021/ja036923m","","","0.71073","MoKα","","0.0296","0.0223","","","0.0473","0.0501","","","","","","1.048","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112131","11.865","0.0002","15.1399","0.0003","13.5817","0.0002","90","","111.781","0.0008","90","","2265.57","0.07","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl N3 O7 Ru -","- C21 H24 Cl N3 O7 Ru -","- C84 H96 Cl4 N12 O28 Ru4 -","4","1","","Wai-Lun Man; Tsz-Man Tang; Tsz-Wing Wong; Tai-Chu Lau; Shie-Ming Peng; Wing-Tak Wong","Highly Electrophilic (Salen)ruthenium(VI) Nitrido Complexes","Journal of the American Chemical Society","2004","126","","478","479","10.1021/ja037899f","","","0.71073","MoKα","","0.0904","0.0488","","","0.1208","0.1432","","","","","","1.033","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112132","11.3517","0.0001","27.5955","0.0003","9.843","0.0001","90","","90.7092","0.0005","90","","3083.14","0.05","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 F6 N5 O2 P Ru -","- C28 H38 F6 N5 O2 P Ru -","- C112 H152 F24 N20 O8 P4 Ru4 -","4","1","","Wai-Lun Man; Tsz-Man Tang; Tsz-Wing Wong; Tai-Chu Lau; Shie-Ming Peng; Wing-Tak Wong","Highly Electrophilic (Salen)ruthenium(VI) Nitrido Complexes","Journal of the American Chemical Society","2004","126","","478","479","10.1021/ja037899f","","","0.71073","MoKα","","0.1245","0.0777","","","0.203","0.229","","","","","","1.132","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112133","16.088","","8.777","","16.756","","90","","102.5","","90","","2309.94","","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H47 N3 O11 -","- C51 H47 N3 O11 -","- C102 H94 N6 O22 -","2","1","","Jinq-Chyi Lee; Xin-An Lu; Suvarn S. Kulkarni; Yuh-Sheng Wen; Shang-Cheng Hung","Synthesis of Heparin Oligosaccharides","Journal of the American Chemical Society","2004","126","","476","477","10.1021/ja038244h","","","0.71073","MoKα","","0.1534","0.04","","","0.1101","0.1754","","","","","","0.88","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112134","12.8621","0.0004","12.8621","0.0004","12.5732","0.0005","90","","90","","90","","2080.03","0.12","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C8 H18 Li2 O2 -","- C8 H18 Li2 O2 -","- C64 H144 Li16 O16 -","8","1","","John F. Allan; Roger Nassar; Elizabeth Specht; Alicia Beatty; Nathalie Calin; Kenneth W. Henderson","Characterization of a Kinetically Stable, Highly Ordered, Octameric Form of Lithium tert-Butoxide and Its Implications Regarding Aggregate Formation","Journal of the American Chemical Society","2004","126","","484","485","10.1021/ja038420m","","","0.71073","MoKα","","0.0297","0.0295","","","0.0763","0.0765","","","","","","1.062","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112135","10.638","0.002","12.246","0.002","14.855","0.003","90.151","0.004","96.881","0.004","97.954","0.004","1902.4","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Fe(OEP-NH2)(Cl). 0.5CHCl3 0.5Methylcyclopentane","","","- C39.5 H51.5 Cl2.5 Fe N5 -","- C39.5 H51.5 Cl2.5 Fe N5 -","- C79 H103 Cl5 Fe2 N10 -","2","1","","Sankar Prasad Rath; Heather Kalish; Lechosław Latos-Grażyński; Marilyn M. Olmstead; Alan L. Balch","Facile Ring Opening of Iron(III) and Iron(II) Complexes of meso-Amino-octaethylporphyrin by Dioxygen","Journal of the American Chemical Society","2004","126","","646","654","10.1021/ja0384431","","","0.71073","MoKα","","0.1036","0.0554","","","0.1348","0.1551","","","","","","0.971","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112136","17.7079","0.0002","17.7079","0.0002","15.0264","0.0002","90","","90","","120","","4080.56","0.08","297","2","297","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C53.33 H55.33 Cl4 Cu2 Fe2 P2 S2 -","- C53.32 H55.32 Cl4 Cu2 Fe2 P2 S2 -","- C159.96 H165.96 Cl12 Cu6 Fe6 P6 S6 -","3","0.5","","Olga García Mancheño; Ramón Gómez Arrayás; Juan C. Carretero","Chiral Copper Complexes of Phosphino Sulfenyl Ferrocenes as Efficient Catalysts for Enantioselective Formal Aza Diels-Alder Reactions of N-Sulfonyl Imines","Journal of the American Chemical Society","2004","126","","456","457","10.1021/ja038494y","","","1.54178","CuKα","","0.0374","0.036","","","0.0911","0.0921","","","","","","1.072","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112137","10.0002","0.0008","10.4496","0.0008","16.0871","0.001","90","","90","","90","","1681.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Olga García Mancheño; Ramón Gómez Arrayás; Juan C. Carretero","Chiral Copper Complexes of Phosphino Sulfenyl Ferrocenes as Efficient Catalysts for Enantioselective Formal Aza Diels-Alder Reactions of N-Sulfonyl Imines","Journal of the American Chemical Society","2004","126","","456","457","10.1021/ja038494y","","","1.54178","CuKα","","0.0304","0.0296","","","0.0849","0.0859","","","","","","1.073","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112138","10.425","0.004","12.133","0.004","9.693","0.003","90.18","0.03","114.18","0.02","69.15","0.03","1030.5","0.7","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl N O5 S -","- C21 H20 Cl N O5 S -","- C42 H40 Cl2 N2 O10 S2 -","2","1","","Ikuya Shibata; Hirofumi Kato; Nobuaki Kanazawa; Makoto Yasuda; Akio Baba","One-Pot Synthesis of Nitrogen Heterocycles Initiated by Regio- and Diastereoselective Carbon-Carbon Bond Formation of Bifunctional Carbonyl Compounds","Journal of the American Chemical Society","2004","126","","466","467","10.1021/ja038712n","","","0.7107","MoKα","","","0.0605","","","","0.1491","","","","","","2.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112139","10.403","0.002","11.939","0.002","10.139","0.002","92.52","0.01","112.46","0.01","69.16","0.01","1081.4","0.4","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cl N O5 S -","- C22 H22 Cl N O5 S -","- C44 H44 Cl2 N2 O10 S2 -","2","1","","Ikuya Shibata; Hirofumi Kato; Nobuaki Kanazawa; Makoto Yasuda; Akio Baba","One-Pot Synthesis of Nitrogen Heterocycles Initiated by Regio- and Diastereoselective Carbon-Carbon Bond Formation of Bifunctional Carbonyl Compounds","Journal of the American Chemical Society","2004","126","","466","467","10.1021/ja038712n","","","0.7107","MoKα","","","0.0641","","","","0.1544","","","","","","1.972","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112140","10.786","0.002","12.723","0.002","9.386","0.002","94.5","0.02","114.22","0.02","67.17","0.01","1077.6","0.4","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cl N O5 S -","- C22 H22 Cl N O5 S -","- C44 H44 Cl2 N2 O10 S2 -","2","1","","Ikuya Shibata; Hirofumi Kato; Nobuaki Kanazawa; Makoto Yasuda; Akio Baba","One-Pot Synthesis of Nitrogen Heterocycles Initiated by Regio- and Diastereoselective Carbon-Carbon Bond Formation of Bifunctional Carbonyl Compounds","Journal of the American Chemical Society","2004","126","","466","467","10.1021/ja038712n","","","0.7107","MoKα","","","0.0572","","","","0.13","","","","","","1.573","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112141","17.991","0.0016","19.907","0.002","23.959","0.003","90","","90","","90","","8580.8","1.6","153","2","153","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C108 H69 Cl9 Si5 -","- C108 H69 Cl9 Si5 -","- C432 H276 Cl36 Si20 -","4","1","","Yutaka Matsuo; Ayako Muramatsu; Ryo Hamasaki; Norihiro Mizoshita; Takashi Kato; Eiichi Nakamura","Stacking of Molecules Possessing a Fullerene Apex and a Cup-Shaped Cavity Connected by a Silicon Connection","Journal of the American Chemical Society","2004","126","","432","433","10.1021/ja038816y","","x-ray","0.71073","MoKα","","0.0787","0.0654","","","0.1697","0.1826","","","","","","1.031","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112142","31.997","","31.997","","20.178","0.0004","90","","90","","90","","20658.4","0.4","153","2","153","2","","","","","","","synthesis as described","3","I -4","I -4","82","","","","- C149 H102 Si5 -","- C149.25 H86 Si5 -","- C1194 H688 Si40 -","8","1","","Yutaka Matsuo; Ayako Muramatsu; Ryo Hamasaki; Norihiro Mizoshita; Takashi Kato; Eiichi Nakamura","Stacking of Molecules Possessing a Fullerene Apex and a Cup-Shaped Cavity Connected by a Silicon Connection","Journal of the American Chemical Society","2004","126","","432","433","10.1021/ja038816y","","x-ray","0.71073","MoKα","","0.0835","0.0796","","","0.2115","0.2145","","","","","","1.059","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112143","8.7212","0.0003","9.4995","0.0004","15.4033","0.0006","100.643","0.002","96.326","0.002","100.073","0.002","1221.37","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(carbonyl)(η^4^-1,5-cycloctadiene) [1-methoxy-3-(4-methoxyphenyl)-2-propenylidene]rhodium(I) hexafluoroantimonate","","- C20 H24 F6 O3 Rh Sb -","- C20 H24 F6 O3 Rh Sb -","- C40 H48 F12 O6 Rh2 Sb2 -","2","1","","José Barluenga; Rubén Vicente; Luis A. López; Eduardo Rubio; Miguel Tomás; Carmen Álvarez-Rúa","New Fischer Carbene Complexes of Rhodium(I): Preparation and 2-Cyclopentenone Ring Synthesis by Annelation to Alkynes","Journal of the American Chemical Society","2004","126","","470","471","10.1021/ja038817q","","","1.5418","CuKα","","0.0715","0.0556","","","0.1455","0.16","","","","","","1.045","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112144","8.954","0.002","10.807","0.002","22.464","0.008","90","","90","","90","","2173.7","1","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H12 N4 Se -","- C9 H12 N4 Se -","- C72 H96 N32 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn","Isolation of a Stable Covalent Selenium Azide RSeN3","Journal of the American Chemical Society","2004","126","","710","711","10.1021/ja038975h","","","0.71073","MoKα","","0.12","0.0694","","0.2273","0.1727","","","","1.075","1.063","1.063","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112145","8.174","0.002","10.957","0.003","23.736","0.006","90","","90","","90","","2125.9","0.9","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H12 I N Se -","- C9 H12 I N Se -","- C72 H96 I8 N8 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn","Isolation of a Stable Covalent Selenium Azide RSeN3","Journal of the American Chemical Society","2004","126","","710","711","10.1021/ja038975h","","","0.71073","MoKα","","0.0293","0.0232","","0.0611","0.0579","","","","1.095","1.121","1.121","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112146","7.723","0.002","10.9085","0.0011","23.556","0.006","90","","90","","90","","1984.5","0.7","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H12 Cl N Se -","- C9 H12 Cl N Se -","- C72 H96 Cl8 N8 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn","Isolation of a Stable Covalent Selenium Azide RSeN3","Journal of the American Chemical Society","2004","126","","710","711","10.1021/ja038975h","","","0.71073","MoKα","","0.053","0.0377","","0.1182","0.1054","","","","1.093","1.138","1.138","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112147","31.4651","0.0006","31.4651","0.0007","18.8447","0.0007","90","","90","","120","","16157.6","0.8","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C27 H16 Cl13 O4 -","- C26.9433 H2 Cl13 O4 -","- C484.98 H36 Cl234 O72 -","18","1","","Daniel Maspoch; Neus Domingo; Daniel Ruiz-Molina; Klaus Wurst; Javier Tejada; Concepció Rovira; Jaume Veciana","A Robust Nanocontainer Based on a Pure Organic Free Radical","Journal of the American Chemical Society","2004","126","","730","731","10.1021/ja038988v","","","0.71073","MoKα","","0.064","0.0461","","","0.1183","0.1271","","","","","","1.025","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112148","7.1939","0.0003","16.4714","0.0012","9.7749","0.0006","90","","111.938","0.0018","90","","1074.39","0.11","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 Br O2 -","- C11 H13 Br O2 -","- C44 H52 Br4 O8 -","4","2","","Mark Lautens; Sheldon Hiebert","Scope of Palladium-Catalyzed Alkylative Ring Opening","Journal of the American Chemical Society","2004","126","","1437","1447","10.1021/ja037550s","","","0.71073","MoKα","","0.0554","0.0532","","","0.1319","0.1347","","","","","","1.068","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112149","23.386","0.002","5.7326","0.0006","20.963","0.002","90","","97.782","0.002","90","","2784.5","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 B N2 O2 -","- C40 H28 B N2 O2 -","- C160 H112 B4 N8 O8 -","4","0.5","","S. K. Pal; M. E. Itkis; R. W. Reed; R. T. Oakley; A. W. Cordes; F. S. Tham; T. Siegrist; R. C. Haddon","Synthesis, Structure and Physical Properties of the First One-Dimensional Phenalenyl-Based Neutral Radical Molecular Conductor","Journal of the American Chemical Society","2004","126","","1478","1484","10.1021/ja037864f","","","0.71073","MoKα","","0.0524","0.0396","","","0.1027","0.1142","","","","","","1.038","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112150","15.7","0.0001","8.993","0.0001","15.705","0.0002","90","","112.5","","90","","2048.6","0.04","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound 1","","","- C12 H34 Ag B11 -","- C12 H34 Ag B11 -","- C48 H136 Ag4 B44 -","4","1","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.0402","0.0337","","","0.0853","0.0895","","","","","","1.077","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112151","9.184","0.0001","13.617","0.0002","15.152","0.0003","111.637","0.001","95.005","0.001","100.336","0.001","1708.23","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","compound 2","","","- C30 H49 Ag B11 P -","- C30 H49 Ag B11 P -","- C60 H98 Ag2 B22 P2 -","2","1","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.0627","0.0378","","","0.0941","0.1043","","","","","","1.017","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112152","15.127","0.0002","15.538","0.0003","17.905","0.0002","90","","113.011","0.001","90","","3873.58","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 3","","","- C30 H67 Ag B11 P -","- C30 H67 Ag B11 P -","- C120 H268 Ag4 B44 P4 -","4","1","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.0559","0.0384","","","0.0879","0.0966","","","","","","1.012","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112153","22.846","0.0006","12.797","0.0007","31.273","0.003","90","0.002","106.366","0.003","90","0.004","8772.5","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 4","","","- C36 H61 Ag B11 P -","- C36 H61 Ag B11 P -","- C288 H488 Ag8 B88 P8 -","8","1","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.2944","0.1134","","","0.2786","0.3653","","","","","","1.02","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112154","20.008","0.0005","12.283","0.0004","37.481","0.0011","90","","102.378","0.002","90","","8997.1","0.5","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H69 Ag B11 O2 P -","- C38 H69 Ag B11 O2 P -","- C304 H552 Ag8 B88 O16 P8 -","8","2","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.1718","0.0754","","","0.1464","0.1927","","","","","","1.041","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112155","11.576","0.0002","11.576","0.0002","21.389","0.0002","90","","90","","120","","2482.21","0.06","150","2","150","2","","","","","","","","5","P 63/m","-P 6c","176","Compound 5","","","- C49 H66 Ag B11 P2 -","- C48 H66 Ag B12 P2 -","- C96 H132 Ag2 B24 P4 -","2","0.166667","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.0569","0.0364","","","0.0918","0.1017","","","","","","1.036","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112156","16.037","0.003","16.263","0.003","18.351","0.003","90","","104.515","0.003","90","","4633.4","1.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H31 B F20 O Si Zr -","- C47 H31 B F20 O Si Zr -","- C188 H124 B4 F80 O4 Si4 Zr4 -","4","1","","Cristiano Zuccaccia; Nicholas G. Stahl; Alceo Macchioni; Ming-Chou Chen; John A. Roberts; Tobin J. Marks","NOE and PGSE NMR Spectroscopic Studies of Solution Structure and Aggregation in Metallocenium Ion-Pairs","Journal of the American Chemical Society","2004","126","","1448","1464","10.1021/ja0387296","","","0.71073","MoKα","","0.1196","0.0592","","","0.133","0.1584","","","","","","1.094","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112157","13.8689","0.0007","8.0185","0.0004","20.0898","0.0011","90","","90","","90","","2234.1","0.2","123","2","123","2","","","","","","","chemical synthesis","4","P b c a","-P 2ac 2ab","61","","1,4-bis(phenothiazin-10-yl)benzene","","- C30 H20 N2 S2 -","- C30 H20 N2 S2 -","- C120 H80 N8 S8 -","4","0.5","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0458","0.0408","","0.1189","0.1079","","","","1.055","1.062","1.062","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112158","7.7817","0.0006","10.2921","0.0008","10.45","0.0008","96.321","0.002","99.677","0.002","94.158","0.002","816.47","0.11","123","2","123","2","","","","","","","chemical synthesis","7","P -1","-P 1","2","","1,4-bis(phenothiazin-10-yl)benzene hexafluoroantimonate cation-radical salt dichloromethane disolvate","","- C32 H24 Cl4 F6 N2 S2 Sb -","- C32 H24 Cl4 F6 N2 S2 Sb -","- C32 H24 Cl4 F6 N2 S2 Sb -","1","0.5","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0421","0.0346","","0.0897","0.0822","","","","1.005","1.019","1.019","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112159","10.7636","0.0005","12.1947","0.0005","19.8197","0.0009","107.859","0.001","96.354","0.001","95.024","0.001","2440.56","0.19","123","2","123","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","1,2-Bis(phenothiazin-10-ylmethyl)benzene","","- C32 H24 N2 S2 -","- C32 H24 N2 S2 -","- C128 H96 N8 S8 -","4","2","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0593","0.0477","","0.1268","0.1136","","","","0.998","1.02","1.02","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112160","10.0687","0.0005","10.7149","0.0005","21.4747","0.0011","96.295","0.001","99.873","0.001","98.062","0.001","2238.6","0.19","123","2","123","2","","","","","","","chemical synthesis","6","P -1","-P 1","2","","1,2-Bis(phenothiazin-10-ylmethyl)benzene dication bis(hexachloroantimonate) salt, dichloromethane hemysolvate","","- C32.5 H25 Cl13 N2 S2 Sb2 -","- C32.5 H25 Cl13 N2 S2 Sb2 -","- C65 H50 Cl26 N4 S4 Sb4 -","2","1","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0772","0.0524","","0.1619","0.132","","","","1.004","1.04","1.04","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112161","13.8195","0.0004","13.8195","0.0004","26.189","0.002","90","","90","","90","","5001.5","0.4","123","2","123","2","","","","","","","chemical synthesis","4","I 41/a :2","-I 4ad","88","","1,2-dimethyl-4,5-bis(phenothiazin-10-yl)benzene","","- C32 H24 N2 S2 -","- C32 H24 N2 S2 -","- C256 H192 N16 S16 -","8","0.5","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0712","0.0563","","0.1631","0.1437","","","","1.021","1.047","1.047","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112162","19.303","0.001","11.2246","0.0006","20.5464","0.0011","90","","92.836","0.001","90","","4446.3","0.4","123","2","123","2","","","","","","","chemical synthesis","6","C 1 2 1","C 2y","5","","Mixed-valence (4:2) Phenothiazine Hexafluorophosphate salt","","- C48 H36 F12 N4 P2 S4 -","- C48 H36 F12 N4 P2 S4 -","- C192 H144 F48 N16 P8 S16 -","4","1","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0725","0.0609","","0.1677","0.1522","","","","1.041","1.06","1.06","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112163","10.6977","0.0007","15.0041","0.001","21.4755","0.0014","90","","96.172","0.001","90","","3427","0.4","98","2","98","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Cl5 Cr N O4 P2 -","- C30 H33 Cl5 Cr N O4 P2 -","- C120 H132 Cl20 Cr4 N4 O16 P8 -","4","1","","Theodor Agapie; Susan J. Schofer; Jay A. Labinger; John E. Bercaw","Mechanistic Studies of the Ethylene Trimerization Reaction with Chromium-Diphosphine Catalysts: Experimental Evidence for a Mechanism Involving Metallacyclic Intermediates","Journal of the American Chemical Society","2004","126","","1304","1305","10.1021/ja038968t","","","0.71073","MoKα","","0.0618","0.037","","","0.0621","0.0649","","","","","","1.579","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112164","15.1624","0.0007","15.4024","0.0007","22.7168","0.0011","91.232","0.001","94.435","0.001","110.525","0.001","4946.8","0.4","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Cl6 Cr N O4 P2 -","- C49.769 H51.538 Cl5.538 Cr N O4 P2 -","- C199.076 H206.152 Cl22.152 Cr4 N4 O16 P8 -","4","2","","Theodor Agapie; Susan J. Schofer; Jay A. Labinger; John E. Bercaw","Mechanistic Studies of the Ethylene Trimerization Reaction with Chromium-Diphosphine Catalysts: Experimental Evidence for a Mechanism Involving Metallacyclic Intermediates","Journal of the American Chemical Society","2004","126","","1304","1305","10.1021/ja038968t","","","0.71073","MoKα","","0.1196","0.0692","","","0.1163","0.1216","","","","","","2.003","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4112165","9.9167","0.0006","11.9935","0.0008","17.9725","0.0011","77.371","0.001","76.328","0.001","70.67","0.001","1936.8","0.2","98","2","98","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H41 Br Cl2 Cr N O4 P2 -","- C42 H41 Br Cl2 Cr N O4 P2 -","- C84 H82 Br2 Cl4 Cr2 N2 O8 P4 -","2","1","","Theodor Agapie; Susan J. Schofer; Jay A. Labinger; John E. Bercaw","Mechanistic Studies of the Ethylene Trimerization Reaction with Chromium-Diphosphine Catalysts: Experimental Evidence for a Mechanism Involving Metallacyclic Intermediates","Journal of the American Chemical Society","2004","126","","1304","1305","10.1021/ja038968t","","","0.71073","MoKα","","0.0657","0.0416","","","0.0744","0.0765","","","","","","1.731","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4112166","27.581","0.004","9.1114","0.0015","9.9791","0.0016","90","","92.213","0.003","90","","2505.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O12 P2 Zn2 -","- C21 H22 N2 O12 P2 Zn2 -","- C84 H88 N8 O48 P8 Zn8 -","4","1","","Yueh-Chun Liao; Fen-Ling Liao; Wei-Kuo Chang; Sue-Lein Wang","A Zeolitic Organo-Metallophosphate Hybrid Material with Bimodal Porosity","Journal of the American Chemical Society","2004","126","","1320","1321","10.1021/ja0390146","","","0.71073","MoKα","","0.0893","0.0766","","","0.223","0.23","","","","","","1.071","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112167","9.8074","0.001","9.9501","0.001","10.6064","0.0011","79.182","0.002","69.414","0.002","80.472","0.002","946.12","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Mn2 N16 -","- C12 H10 Mn2 N16 -","- C24 H20 Mn4 N32 -","2","1","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.0849","0.0497","","","0.1227","0.1372","","","","","","0.952","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112168","17.1238","0.0004","10.8439","0.0003","12.3532","0.0004","90","","127.082","0.0012","90","","1829.98","0.09","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H22 Mn3 N28 -","- C24 H22 Mn3 N28 -","- C48 H44 Mn6 N56 -","2","0.5","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.0663","0.0385","","","0.0817","0.0901","","","","","","1.005","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112169","14.4368","0.0003","14.5844","0.0003","17.5169","0.0004","90","","90","","90","","3688.22","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl Mn2 N21 O5 -","- C24 H24 Cl Mn2 N21 O5 -","- C96 H96 Cl4 Mn8 N84 O20 -","4","1","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.1077","0.0534","","","0.1369","0.1639","","","","","","1.014","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112170","15.0691","0.0004","7.829","0.0003","17.4369","0.0004","90","","96.088","0.002","90","","2045.53","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Mn2 N16 -","- C14 H14 Mn2 N16 -","- C56 H56 Mn8 N64 -","4","0.5","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.0663","0.0346","","","0.0785","0.0895","","","","","","1.012","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112171","8.0488","0.0011","8.0488","0.0011","30.552","0.006","90","","90","","120","","1714.1","0.5","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C15 H18 Mn2 N16 O -","- C15 H14 Mn2 N16 O -","- C45 H42 Mn6 N48 O3 -","3","0.5","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.0802","0.0425","","","0.089","0.1018","","","","","","1.026","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112172","16.576","0.003","11.509","0.004","17.059","0.002","90","","115.36","0.02","90","","2940.8","1.3","293","2","250","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H37 Li N4 O -","- C33 H37 Li N4 O -","- C132 H148 Li4 N16 O4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Antonio Antiñolo; Juan Tejeda; Agustín Lara-Sánchez; Luis Sánchez-Barba; Ana M. Rodríguez; Miguel A. Maestro","An Unprecedented Hybrid Scorpionate/Cyclopentadienyl Ligand","Journal of the American Chemical Society","2004","126","","1330","1331","10.1021/ja0391558","","","0.71073","MoKα","","0.3313","0.0745","","","0.1333","0.1996","","","","","","0.902","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112173","12.222","0.0011","23.628","0.002","12.8891","0.0012","90","","100.935","0.002","90","","3654.5","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H45 Cl3 N4 O2 Zr -","- C37 H37 Cl3 N4 O2 Zr -","- C148 H148 Cl12 N16 O8 Zr4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Antonio Antiñolo; Juan Tejeda; Agustín Lara-Sánchez; Luis Sánchez-Barba; Ana M. Rodríguez; Miguel A. Maestro","An Unprecedented Hybrid Scorpionate/Cyclopentadienyl Ligand","Journal of the American Chemical Society","2004","126","","1330","1331","10.1021/ja0391558","","","0.71073","MoKα","","0.0837","0.0538","","","0.153","0.1716","","","","","","1.038","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112174","18.723","0.004","7.271","0.001","20.481","0.004","90","","107.02","0.03","90","","2666.1","1","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","catena-(mu4-4,4'(hexafluoroisopropylidene)bis(benzenecarboxylato) -half(mu2-4,4'(hexafluoroisopropylidene)bis(benzoic acid)copper(II)","","- C51 H26 Cu2 F18 O12 -","- C51 H26 Cu2 F18 O12 -","- C102 H52 Cu4 F36 O24 -","2","0.5","","Long Pan; Michelle B. Sander; Xiaoying Huang; Jing Li; Milton Smith; Edward Bittner; Bradley Bockrath; J. Karl Johnson","Microporous Metal Organic Materials: Promising Candidates as Sorbents for Hydrogen Storage","Journal of the American Chemical Society","2004","126","","1308","1309","10.1021/ja0392871","","","0.71073","MoKα","","0.0876","0.0441","","","0.0685","0.0744","","","","","","1.293","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112175","12.937","0.002","12.0613","0.0018","25.706","0.004","90","","97.777","0.002","90","","3974.2","1.1","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C70 H120 Si6 Y4 -","- C70 H120 Si6 Y4 -","- C140 H240 Si12 Y8 -","2","0.5","","Dongmei Cui; Olivier Tardif; Zhaomin Hou","Tetranuclear Rare Earth Metal Polyhydrido Complexes Composed of ""(C5Me4SiMe3)LnH2"" Units. Unique Reactivities toward Unsaturated C-C, C-N, and C-O Bonds","Journal of the American Chemical Society","2004","126","","1312","1313","10.1021/ja039324o","","","0.71073","MoKα","","0.1222","0.0528","","","0.0896","0.1068","","","","","","0.956","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112176","22.5643","0.001","13.1414","0.0006","23.1746","0.001","90","","102.976","0.001","90","","6696.4","0.5","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H106 Si4 Y4 -","- C62 H106 Si4 Y4 -","- C248 H424 Si16 Y16 -","4","1","","Dongmei Cui; Olivier Tardif; Zhaomin Hou","Tetranuclear Rare Earth Metal Polyhydrido Complexes Composed of ""(C5Me4SiMe3)LnH2"" Units. Unique Reactivities toward Unsaturated C-C, C-N, and C-O Bonds","Journal of the American Chemical Society","2004","126","","1312","1313","10.1021/ja039324o","","","0.71073","MoKα","","0.0484","0.0328","","","0.0755","0.0801","","","","","","1.043","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112177","24.44","0.004","18.673","0.003","14.797","0.002","90","","96.848","0.002","90","","6704.7","1.8","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H110 Lu4 O6 Si4 -","- C60 H110 Lu4 O6 Si4 -","- C240 H440 Lu16 O24 Si16 -","4","0.5","","Dongmei Cui; Olivier Tardif; Zhaomin Hou","Tetranuclear Rare Earth Metal Polyhydrido Complexes Composed of ""(C5Me4SiMe3)LnH2"" Units. Unique Reactivities toward Unsaturated C-C, C-N, and C-O Bonds","Journal of the American Chemical Society","2004","126","","1312","1313","10.1021/ja039324o","","","0.71073","MoKα","","0.048","0.0319","","","0.0727","0.0775","","","","","","1.058","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112178","18.165","0.003","21.836","0.003","21.363","0.003","90","","90.861","0.002","90","","8473","2","173","1","173","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H126 Lu4 N4 O Si4 -","- C86 H126 Lu4 N4 O Si4 -","- C344 H504 Lu16 N16 O4 Si16 -","4","0.5","","Dongmei Cui; Olivier Tardif; Zhaomin Hou","Tetranuclear Rare Earth Metal Polyhydrido Complexes Composed of ""(C5Me4SiMe3)LnH2"" Units. Unique Reactivities toward Unsaturated C-C, C-N, and C-O Bonds","Journal of the American Chemical Society","2004","126","","1312","1313","10.1021/ja039324o","","","0.71073","MoKα","","0.0445","0.0271","","","0.0562","0.0596","","","","","","1.078","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112179","8.256","0.006","7.118","0.005","14.087","0.011","90","","96.259","0.019","90","","822.9","1.1","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C40 H40 O16 -","2","1","","Chaomin Li; John A. Porco","Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol To Promote [4 + 4] Dimerization","Journal of the American Chemical Society","2004","126","","1310","1311","10.1021/ja039543+","","","0.71073","MoKα","","0.0816","0.0524","","","0.1051","0.1169","","","","","","1.011","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112180","12.5095","0.0009","13.2254","0.001","20.9777","0.0016","90","","90","","90","","3470.6","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F3 N -","- C20 H21 B F3 N -","- C160 H168 B8 F24 N8 -","8","1","","Xavier Cattoën; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Amino-Aryl-Carbenes: Alternative Ligands for Transition Metals?","Journal of the American Chemical Society","2004","126","","1342","1343","10.1021/ja0396854","","","0.71073","MoKα","","0.0848","0.0451","","","0.094","0.1111","","","","","","1.009","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112181","9.9897","0.0011","10.8362","0.0012","23.435","0.003","90","","100.234","0.002","90","","2496.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30.5 H33 Cl N Rh -","- C30.5 H33 Cl N Rh -","- C122 H132 Cl4 N4 Rh4 -","4","1","","Xavier Cattoën; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Amino-Aryl-Carbenes: Alternative Ligands for Transition Metals?","Journal of the American Chemical Society","2004","126","","1342","1343","10.1021/ja0396854","","","0.71073","MoKα","","0.0323","0.0275","","","0.0687","0.0713","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112182","11.154","0.003","14.84","0.003","14.405","0.003","90","","94.718","0.004","90","","2376.3","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Cl N Rh -","- C28 H33 Cl N Rh -","- C112 H132 Cl4 N4 Rh4 -","4","1","","Xavier Cattoën; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Amino-Aryl-Carbenes: Alternative Ligands for Transition Metals?","Journal of the American Chemical Society","2004","126","","1342","1343","10.1021/ja0396854","","","0.71073","MoKα","","0.0942","0.055","","","0.1176","0.1307","","","","","","1.108","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112183","17.577","0.002","19.64","0.003","19.871","0.003","69.092","0.002","69.336","0.003","85.822","0.003","5984.7","1.5","213","2","213","2","","","","","","","","5","P -1","-P 1","2","{[(DAniF)2Rh2]4(O12C44H44)2(OEt2)(CH3CN)4}*10(CH3CN)","","","- C240 H260 N30 O41 Rh8 -","- C240 H232 N30 O41 Rh8 -","- C240 H232 N30 O41 Rh8 -","1","0.5","","F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang","A Calix[4]arene Carceplex with Four Rh24+ Fasteners","Journal of the American Chemical Society","2004","126","","1518","1525","10.1021/ja0396899","","","0.71073","MoKα","","0.1683","0.0879","","","0.201","0.2363","","","","","","1.127","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112184","20.257","0.009","24.161","0.01","26.445","0.011","75.223","0.007","67.977","0.007","66.997","0.007","10955","8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","{NEt4[cis-(DAniF)2Rh2]4[calix[4]arene(CO2)4]2(MeCN)2(H2O)2}(BF4),3.5H2O","","","- C220 H245 B F4 N19 O45.5 Rh8 -","- C220 H198 B F4 N19 O45.5 Rh8 -","- C440 H396 B2 F8 N38 O91 Rh16 -","2","1","","F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang","A Calix[4]arene Carceplex with Four Rh24+ Fasteners","Journal of the American Chemical Society","2004","126","","1518","1525","10.1021/ja0396899","","","0.71073","MoKα","","0.163","0.0824","","","0.1834","0.234","","","","","","1.182","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112185","20.282","0.006","24.285","0.008","26.555","0.008","75.101","0.006","67.97","0.006","66.852","0.006","11056","6","213","2","213","2","","","","","","","","7","P -1","-P 1","2","{[NEt4[cis-(DAniF)2Rh2]4[calix[4]arene(CO2)4]2(MeCN)2(H2O)2] [NEt4[cis-(DAniF)2Rh2]4[calix[4]arene(CO2)4]2(NH2COMe)(MeCN)3(H2O)]} (BF4)2,6(H2O)","","","- C444 H494 B2 F8 N40 O90 Rh16 -","- C444 H407 B2 F8 N40 O90 Rh16 -","- C444 H407 B2 F8 N40 O90 Rh16 -","1","0.5","","F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang","A Calix[4]arene Carceplex with Four Rh24+ Fasteners","Journal of the American Chemical Society","2004","126","","1518","1525","10.1021/ja0396899","","","0.71073","MoKα","","0.1651","0.0725","","","0.1542","0.1942","","","","","","1.083","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112186","12.0208","0.0006","13.1643","0.0006","23.138","0.0011","77.851","0.001","77.749","0.001","80.174","0.001","3467.4","0.3","213","2","213","2","","","","","","","","6","P -1","-P 1","2","Rh2(DAniF)2(calixarene-dicarboxy)","","","- C73 H78 Br2 N4 O13 Rh2 -","- C73 H77 Br2 N4 O13 Rh2 -","- C146 H154 Br4 N8 O26 Rh4 -","2","1","","F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang","A Calix[4]arene Carceplex with Four Rh24+ Fasteners","Journal of the American Chemical Society","2004","126","","1518","1525","10.1021/ja0396899","","","0.71073","MoKα","","0.0672","0.0469","","","0.1219","0.1367","","","","","","1.028","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112187","12.1936","0.0008","14.4964","0.001","20.9932","0.0014","106.99","0.001","95.559","0.001","105.863","0.001","3350.1","0.4","213","2","213","2","","","","","","","","6","P -1","-P 1","2","Mo2(DAniF)2(Calix[4]aren","","","- C72 H74 Br2 Mo2 N4 O12 -","- C72 H74 Br2 Mo2 N4 O12 -","- C144 H148 Br4 Mo4 N8 O24 -","2","1","","F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang","A Calix[4]arene Carceplex with Four Rh24+ Fasteners","Journal of the American Chemical Society","2004","126","","1518","1525","10.1021/ja0396899","","","0.71073","MoKα","","0.0728","0.0436","","","0.1017","0.1178","","","","","","1.018","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112188","10.2338","0.0012","18.178","0.002","14.1118","0.0016","90","","104.991","0.002","90","","2535.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B2 Cl2 P2 -","- C20 H46 B2 Cl2 P2 -","- C80 H184 B8 Cl8 P8 -","4","1","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0416","0.0299","","","0.0708","0.0781","","","","","","1.073","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112189","13.2757","0.001","16.0434","0.0012","11.8224","0.0009","90","","90","","90","","2518","0.3","193","2","193","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H46 B2 Cl2 P2 -","- C20 H46 B2 Cl2 P2 -","- C80 H184 B8 Cl8 P8 -","4","0.5","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0355","0.034","","","0.0882","0.0899","","","","","","1.061","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112190","10.2819","0.0012","10.5595","0.0012","13.0748","0.0015","77.516","0.002","72.12","0.002","67.15","0.002","1237.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H46 B2 P2 Se -","- C20 H46 B2 P2 Se -","- C40 H92 B4 P4 Se2 -","2","1","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0389","0.0331","","","0.0777","0.0794","","","","","","1.136","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112191","19.684","0.002","10.1828","0.0011","14.0169","0.0016","90","","110.408","0.002","90","","2633.2","0.5","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20.5 H46 B2 Br Cl P2 -","- C20.5 H46 B2 Br Cl P2 -","- C82 H184 B8 Br4 Cl4 P8 -","4","1","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0377","0.0301","","","0.072","0.0761","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112192","11.5058","0.0009","15.0388","0.0012","16.7911","0.0013","90","","90","","90","","2905.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H56 B2 P2 Sn -","- C23 H56 B2 P2 Sn -","- C92 H224 B8 P8 Sn4 -","4","1","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0238","0.0224","","","0.0561","0.0568","","","","","","1.024","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112193","13.4955","0.0007","15.8447","0.0009","11.8988","0.0006","90","","90","","90","","2544.3","0.2","193","2","193","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H46 B2 Br2 P2 -","- C20 H46 B2 Br2 P2 -","- C80 H184 B8 Br8 P8 -","4","0.5","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0466","0.0393","","","0.118","0.1226","","","","","","1.105","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112194","9.7777","0.0002","13.105","0.0003","16.9143","0.0004","95.057","0.001","96.028","0.001","102.347","0.001","2091.82","0.08","292","2","292","2","","","","","","","","3","P -1","-P 1","2","9-phenoxy-10-phenyl anthracene","","","- C29 H21 O -","- C29 H21 O -","- C116 H84 O4 -","4","2","","Robert L. Donkers; Mark S. Workentin","Elucidation of the Electron Transfer Reduction Mechanism of Anthracene Endoperoxides","Journal of the American Chemical Society","2004","126","","1688","1698","10.1021/ja035828a","","","0.71073","MoKα","","0.081","0.0516","","","0.1251","0.147","","","","","","1.029","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112195","12.3267","0.0011","18.641","0.002","24.487","0.003","90","0.002","92.332","0.002","90","0.002","5622","1","303.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 Co Cr3 Cs5 O58 W12 -","- C6 Co Cr3 Cs5 O58 W12 -","- C24 Co4 Cr12 Cs20 O232 W48 -","4","1","","Sayaka Uchida; Noritaka Mizuno","Zeotype Ionic Crystal of Cs5[Cr3O(OOCH)6(H2O)3][α-CoW12O40].7.5H2O with Shape-Selective Adsorption of Water","Journal of the American Chemical Society","2004","126","","1602","1603","10.1021/ja038063f","","","0.7107","MoKα","","","0.093","","","","0.115","","","","","","7.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112196","12.642","0.003","19.337","0.005","24.341","0.006","90","","89.644","0.004","90","","5950","3","123.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 Co Cr3 Cs5 O63.5 W12 -","- C6 Co Cr3 Cs5 O63.5 W12 -","- C24 Co4 Cr12 Cs20 O254 W48 -","4","1","","Sayaka Uchida; Noritaka Mizuno","Zeotype Ionic Crystal of Cs5[Cr3O(OOCH)6(H2O)3][α-CoW12O40].7.5H2O with Shape-Selective Adsorption of Water","Journal of the American Chemical Society","2004","126","","1602","1603","10.1021/ja038063f","","","0.7107","MoKα","","","0.045","","","","0.056","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112197","9.0217","0.0016","12.074","0.002","12.172","0.002","81.301","0.004","78.514","0.004","86.638","0.003","1283.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Ti(NPh)(NHMe2)2(dpma)","","","- C22 H34 Cl2 N6 Ti -","- C22 H34 Cl2 N6 Ti -","- C44 H68 Cl4 N12 Ti2 -","2","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.0593","0.04","","","0.0975","0.1044","","","","","","1.091","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112198","9.16","0.003","18.584","0.005","12.825","0.004","90","","99.86","0.02","90","","2150.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ti(NPh)(DME)(dpma)","","","- C42 H56 N8 O4 Ti2 -","- C42 H56 N8 O4 Ti2 -","- C84 H112 N16 O8 Ti4 -","2","0.5","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.0623","0.0406","","","0.1089","0.1182","","","","","","1.055","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112199","11.3047","0.0018","20.237","0.003","17.69","0.003","90","","107.978","0.003","90","","3849.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ti(NPh)(dpma)(But-bpy)","","","- C37 H46 Cl4 N6 Ti -","- C37 H46 Cl4 N6 Ti -","- C148 H184 Cl16 N24 Ti4 -","4","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.1695","0.0942","","","0.2479","0.2901","","","","","","0.981","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112200","20.186","0.005","10.166","0.002","25.483","0.006","90","","99.8","0.005","90","","5153","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ti(NHNC5H10)2(dpma)","","","- C22 H35 Cl2 N7 Ti -","- C22 H35 Cl2 N7 Ti -","- C176 H280 Cl16 N56 Ti8 -","8","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.0956","0.0421","","","0.0922","0.1056","","","","","","0.918","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112201","14.816","0.003","15.601","0.003","16.673","0.003","72.03","0.03","65.48","0.03","64.91","0.03","3134.1","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Ti(NPh)(NHMe2)2(dpma)/[Ti(NPh)(dpma)]2/Et2O/0.5 aniline","","","- C62 H78 N14.5 O Ti3 -","- C62 H78 N14.5 O Ti3 -","- C124 H156 N29 O2 Ti6 -","2","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.1089","0.0495","","","0.1071","0.1237","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112202","12.997","0.011","20.424","0.017","14.061","0.012","90","","102.151","0.017","90","","3649","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ti(NNMe2)(But-bpy)(dpma)","","","- C38 H51 N7 Ti -","- C38 H51 N7 Ti -","- C152 H204 N28 Ti4 -","4","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.0853","0.0446","","","0.1027","0.1225","","","","","","1.005","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112203","14.154","0.003","15.074","0.004","19.552","0.005","90","","97.375","0.005","90","","4137.1","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ti(NNMe3)(But-bpy)(dpma)]I","","","- C34 H50 Cl4 I N7 Ti -","- C34 H50 Cl4 I N7 Ti -","- C136 H200 Cl16 I4 N28 Ti4 -","4","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.1177","0.0863","","","0.2504","0.2671","","","","","","1.055","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112204","20.186","0.005","10.166","0.002","25.483","0.006","90","","99.8","0.005","90","","5153","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ti(NHNC5H10)2(dpma).CH2Cl2","","","- C22 H35 Cl2 N7 Ti -","- C22 H35 Cl2 N7 Ti -","- C176 H280 Cl16 N56 Ti8 -","8","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.0956","0.0421","","","0.0922","0.1056","","","","","","0.918","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112205","8.2439","0.0014","21.395","0.004","19.18","0.003","90","","92.23","0.003","90","","3380.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ti(NNMe2)(dpma).1/2 toluene","","","- C33 H46 N10 Ti2 -","- C33 H46 N10 Ti2 -","- C132 H184 N40 Ti8 -","4","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.1181","0.0604","","","0.1498","0.1738","","","","","","1.001","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4112206","47.32","0.01","4.9123","0.0008","10.9439","0.0007","90","","91.24","0.01","90","","2543.3","0.7","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0892","","","","0.2227","","","","","","1.382","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112207","43.701","0.003","4.9008","0.0004","10.9131","0.0008","90","","104.169","0.004","90","","2266.2","0.3","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.076","","","","0.2083","","","","","","1.829","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112208","63.167","0.01","4.9276","0.0009","10.688","0.001","90","","90.317","0.004","90","","3326.7","0.9","203.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H25 N O2 -","- C18 H25 N O2 -","- C144 H200 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0853","","","","0.2524","","","","","","1.443","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112209","10.8715","0.0004","4.8081","0.0002","34.691","0.002","90","","91.415","0.004","90","","1812.79","0.15","203.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C20 H29 N O2 -","- C20 H29 N O2 -","- C80 H116 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0532","","","","0.1623","","","","","","1.788","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112210","10.8779","0.0008","4.7946","0.0005","36.692","0.004","90","","94.818","0.006","90","","1906.9","0.3","203.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C21 H31 N O2 -","- C21 H31 N O2 -","- C84 H124 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0562","","","","0.1628","","","","","","1.278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112211","10.9392","0.0006","4.8173","0.0002","46.006","0.002","90","","89.678","0.002","90","","2424.4","0.2","296.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C26 H41 N O2 -","- C26 H41 N O2 -","- C104 H164 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0501","","","","0.1609","","","","","","1.132","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112212","10.905","0.003","4.837","0.002","54.96","0.02","90","","91.938","0.008","90","","2897.3","1.8","296.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C31 H51 N O2 -","- C31 H50 N O2 -","- C124 H200 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0923","","","","0.2936","","","","","","1.639","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112213","5.5705","0.0004","11.978","0.001","21.431","0.003","90","","90","","90","","1430","0.3","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0578","","","","0.1601","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112214","11.899","0.002","6.0741","0.0004","21.172","0.002","90","","102.289","0.006","90","","1495.2","0.3","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0984","","","","0.2618","","","","","","1.749","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112215","12.435","0.002","6.1477","0.0007","21.507","0.002","90","","97.73","0.02","90","","1629.2","0.4","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O2 -","- C17 N O2 -","- C68 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.1033","","","","0.2215","","","","","","2.271","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112216","10.871","0.001","4.9114","0.0005","27.191","0.003","90","","96.117","0.005","90","","1443.5","0.3","296.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C16 H21 N O2 -","- C16 H22 N O2 -","- C64 H88 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0598","","","","0.1801","","","","","","1.406","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112217","11.0534","0.0001","4.8418","0.0005","15.1842","0.0001","90","","107.566","0.004","90","","774.74","0.08","213.2","","","","","","","","","","","4","P 1 a 1","P -2ya","7","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C34 H46 N2 O4 -","2","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0545","","","","0.1289","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112218","52.203","0.004","4.8399","0.0003","11.16","0.0009","90","","100.787","0.004","90","","2769.8","0.4","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C128 H152 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.1657","","","","0.3752","","","","","","1.66","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112219","11.104","0.001","4.7946","0.0005","13.722","0.001","90","","91.274","0.006","90","","730.37","0.11","218.2","","","","","","","","","","","4","P 1 a 1","P -2ya","7","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0782","","","","0.2003","","","","","","3.707","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112220","5.6039","0.0003","11.836","0.001","24.532","0.003","90","","90","","90","","1627.2","0.3","203.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0477","","","","0.1314","","","","","","0.936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112221","52.367","0.004","4.7443","0.0003","11.5947","0.0004","90","","93.372","0.003","90","","2875.7","0.3","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0602","","","","0.1866","","","","","","1.354","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112222","11.8255","0.0005","24","0.001","5.9437","0.0002","90","","90","","90","","1686.89","0.12","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.058","","","","0.1597","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112223","54.642","0.003","4.9909","0.0001","11.0533","0.0001","90","","99.442","0.002","90","","2973.54","0.18","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","0.7107","MoKα","","","0.0604","","","","0.192","","","","","","0.924","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112224","34.8215","0.0007","10.4972","0.0002","14.3434","0.0003","90","","90","","90","","5242.92","0.18","173","","173","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23 H41 Cl Ir O3 P2 -","- C23 H41 Cl Ir O3 P2 -","- C184 H328 Cl8 Ir8 O24 P16 -","8","1","","Inigo Göttker-Schnetmann; Peter White; Maurice Brookhart","Iridium Bis(phosphinite)p-XPCP Pincer Complexes: Highly Active Catalysts for the Transfer Dehydrogenation of Alkanes","Journal of the American Chemical Society","2004","126","","1804","1811","10.1021/ja0385235","","","0.71073","MolybdenumKα","","0.058","0.036","","0.041","0.037","","","","","1.62","1.62","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112225","12.017","0.005","14.236","0.006","12.309","0.005","90","","104.661","0.005","90","","2037.2","1.5","223.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Shunichi Fukuzumi; Hiroaki Kotani; Kei Ohkubo; Seiji Ogo; Nikolai V. Tkachenko; Helge Lemmetyinen","Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion with a Much Longer Lifetime and Higher Energy Than That of the Natural Photosynthetic Reaction Center","Journal of the American Chemical Society","2004","126","","1600","1601","10.1021/ja038656q","","","0.7107","MoKα","","","0.0617","","","","0.1687","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112226","12.198","0.002","6.272","0.001","14.501","0.003","90","","107.04","0.01","90","","1060.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C40 H68 N4 O12 -","4","1","","Frederick A. Villamena; Christopher M. Hadad; Jay L. Zweier","Theoretical Study of the Spin Trapping of Hydroxyl Radical by Cyclic Nitrones: A Density Functional Theory Approach","Journal of the American Chemical Society","2004","126","","1816","1829","10.1021/ja038838k","","","0.71073","MoKα","","0.05","0.037","","0.0951","0.0867","","","","1.053","1.074","1.074","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112227","8.8832","0.0003","14.7504","0.0005","9.3656","0.0003","90","","110.851","0.001","90","","1146.81","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H22 N2 S -","- C9 H22 N2 S -","- C36 H88 N8 S4 -","4","1","","D. Leusser; J. Henn; N. Kocher; B. Engels; D. Stalke","SN versus S+N-: An Experimental and Theoretical Charge Density Study","Journal of the American Chemical Society","2004","126","","1781","1793","10.1021/ja038941+","","","0.71073","MoKα","","0.0381","0.0277","","","0.0663","0.0691","","","","","","0.912","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112228","29.8239","0.0008","11.4206","0.0003","18.0801","0.0004","90","","91.041","0.001","90","","6157.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H58 N6 S2 -","- C25 H58 N6 S2 -","- C200 H464 N48 S16 -","8","1","","D. Leusser; J. Henn; N. Kocher; B. Engels; D. Stalke","SN versus S+N-: An Experimental and Theoretical Charge Density Study","Journal of the American Chemical Society","2004","126","","1781","1793","10.1021/ja038941+","","","0.71073","MoKα","","0.0487","0.0315","","","0.0865","0.0932","","","","","","0.969","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112229","5.9699","0.0003","9.2877","0.0004","9.9338","0.0004","72.505","0.001","88.338","0.001","84.661","0.001","523.04","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H19 N2 S -","- C8 H18 N2 S -","- C16 H36 N4 S2 -","2","1","","D. Leusser; J. Henn; N. Kocher; B. Engels; D. Stalke","SN versus S+N-: An Experimental and Theoretical Charge Density Study","Journal of the American Chemical Society","2004","126","","1781","1793","10.1021/ja038941+","","","0.71073","MoKα","","0.0509","0.0324","","","0.0775","0.082","","","","","","0.885","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112230","9.3228","0.0003","9.3455","0.0003","10.6675","0.0003","70.515","0.001","77.571","0.001","60.554","0.001","761.52","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H27 N3 S -","- C12 H27 N3 S -","- C24 H54 N6 S2 -","2","1","","D. Leusser; J. Henn; N. Kocher; B. Engels; D. Stalke","SN versus S+N-: An Experimental and Theoretical Charge Density Study","Journal of the American Chemical Society","2004","126","","1781","1793","10.1021/ja038941+","","","0.71073","MoKα","","0.0343","0.028","","","0.073","0.075","","","","","","0.98","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112231","9.9918","0.0001","10.3292","0.0001","11.8025","0.0002","89.8091","0.0006","89.7055","0.0006","81.5132","0.0006","1204.75","0.03","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N5 O2 -","- C31 H25 N5 O2 -","- C62 H50 N10 O4 -","2","1","","He-Chun Chou; Chin-Hao Hsu; Yi-Ming Cheng; Chung-Chih Cheng; Hsiao-Wei Liu; Shih-Chieh Pu; Pi-Tai Chou","Multiple Hydrogen Bonds Tuning Guest/Host Excited-State Proton Transfer Reaction: Its Application in Molecular Recognition","Journal of the American Chemical Society","2004","126","","1650","1651","10.1021/ja039240f","","","0.71073","MoKα","","0.0856","0.0615","","","0.153","0.1727","","","","","","1.062","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112232","11.0348","0.0006","12.5531","0.0007","14.0159","0.0008","88.743","0.001","75.343","0.001","87.515","0.001","1876.43","0.18","298","2","298","2","","","","","","","","7","P -1","-P 1","2","compound (4).CH2Cl2","","","- C32 H42 B Cl2 Ir N6 O8 -","- C31 H40 B Cl0 Ir N6 O8 -","- C62 H80 B2 Cl0 Ir2 N12 O16 -","2","1","","Margarita Paneque; Manuel L. Poveda; Nuria Rendón; Kurt Mereiter","Isolation of a Stable 1-Iridabicyclo[3.2.0]hepta-1,3,6-triene and Its Reversible Transformation into an Iridacycloheptatriene","Journal of the American Chemical Society","2004","126","","1610","1611","10.1021/ja0393527","","","0.71073","MoKα","","0.0288","0.0246","","","0.0639","0.065","","","","","","1.025","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112233","13.911","0.001","14.533","0.001","16.558","0.001","90","","90","","90","","3347.5","0.4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound 2.(ca. 1.25H2O)","","","- C27 H38.5 B Ir N6 O10.25 -","- C27 H38 B Ir N6 O10.261 -","- C108 H152 B4 Ir4 N24 O41.044 -","4","1","","Margarita Paneque; Manuel L. Poveda; Nuria Rendón; Kurt Mereiter","Isolation of a Stable 1-Iridabicyclo[3.2.0]hepta-1,3,6-triene and Its Reversible Transformation into an Iridacycloheptatriene","Journal of the American Chemical Society","2004","126","","1610","1611","10.1021/ja0393527","","","0.71073","MoKα","","0.0381","0.0301","","","0.0682","0.0723","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112234","6.5819","0.0002","11.1635","0.0003","21.5458","0.0008","90","","90","","90","","1583.12","0.09","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.71069","MoKα","","0.0504","0.0454","","0.109","0.1052","","","","1.048","1.057","1.057","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112235","13.906","0.009","5.635","0.003","14.432","0.009","90.22","0.03","104.7","0.019","90.45","0.03","1093.8","1.1","143","1","143","1","","","","","","","","3","P 1","P 1","1","","","","- C20 H28 O6 -","- C20 H28 O5 -","- C40 H56 O10 -","2","2","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.7107","MoKα","","0.1471","0.1252","","","0.3121","0.3409","","","","","","1.322","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112236","5.6107","0.0008","9.725","0.0016","25.856","0.004","90","","90","","90","","1410.8","0.4","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C64 H96 O8 -","4","1","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.7107","MoKα","","0.0525","0.044","","","0.0925","0.0972","","","","","","1.109","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112237","10.3569","0.0013","11.7844","0.0015","14.8684","0.0019","90","","90","","90","","1814.7","0.4","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.7107","MoKα","","0.0377","0.0343","","","0.0835","0.0858","","","","","","1.03","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112238","8.6523","0.0016","13.943","0.003","17.078","0.003","90","","90","","90","","2060.3","0.7","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","1","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.71069","MoKα","","0.0787","0.0656","","","0.1636","0.1764","","","","","","1.064","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112239","7.1098","0.0001","24.8571","0.0006","8.1218","0.0002","90","","90.253","0.001","90","","1435.34","0.05","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[CyPVi3]+I-","","","- C12 H20 I P -","- C12 H20 I P -","- C48 H80 I4 P4 -","4","1","","Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur","The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+","Journal of the American Chemical Society","2004","126","","1632","1633","10.1021/ja0399019","","","0.71073","MoKα","","0.0308","0.0264","","","0.0574","0.0597","","","","","","1.113","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112240","19.3966","0.0003","13.7062","0.0002","9.916","0.0001","90","","90","","90","","2636.21","0.06","143","2","143","2","","","","","","","","4","P n m a","-P 2ac 2n","62","[PVi4]+[BPh4]-","","","- C32 H32 B P -","- C32 H32 B P -","- C128 H128 B4 P4 -","4","0.5","","Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur","The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+","Journal of the American Chemical Society","2004","126","","1632","1633","10.1021/ja0399019","","","0.71073","MoKα","","0.0524","0.0496","","","0.1229","0.125","","","","","","1.071","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112241","10.3108","0.0001","14.585","0.0002","15.6994","0.0003","90","","100.11","0.0006","90","","2324.26","0.06","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[BVi4]-[MePPh3]+","","","- C27 H30 B P -","- C27 H30 B P -","- C108 H120 B4 P4 -","4","1","","Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur","The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+","Journal of the American Chemical Society","2004","126","","1632","1633","10.1021/ja0399019","","","0.71073","MoKα","","0.0449","0.0419","","","0.1009","0.1031","","","","","","1.03","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112242","10.5931","0.0001","10.593","","37.5286","0.0006","90","","90","","90","","4211.19","0.08","143","2","143","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","[P(CH2CH2OAc)4]+I-","","","- C16 H28 I O8 P -","- C16 H28 I O8 P -","- C128 H224 I8 O64 P8 -","8","0.5","","Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur","The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+","Journal of the American Chemical Society","2004","126","","1632","1633","10.1021/ja0399019","","","0.71073","MoKα","","0.0258","0.024","","","0.0684","0.0714","","","","","","1.227","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112243","9.802","0.0012","10.9657","0.0013","20.323","0.002","81.917","0.002","89.293","0.002","72.296","0.002","2059.2","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","MAGPR01","","","- C25 H22 O3 S -","- C25 H22 O3 S -","- C100 H88 O12 S4 -","4","2","","Nabi A. Magomedov; Piero L. Ruggiero; Yuchen Tang","Remarkably Facile Hexatriene Electrocyclizations as a Route to Functionalized Cyclohexenones via Ring Expansion of Cyclobutenones","Journal of the American Chemical Society","2004","126","","1624","1625","10.1021/ja0399066","","","0.71073","MoKα","","0.0854","0.0562","","","0.1211","0.1318","","","","","","1.029","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112244","6.8553","0.0007","8.3097","0.0008","11.1075","0.0011","79.55","0.002","84.044","0.002","85.155","0.002","617.49","0.11","193","2","193","2","","","","","","","","4","P -1","-P 1","2","MAGPR02","","","- C14 H14 O3 S -","- C14 H14 O3 S -","- C28 H28 O6 S2 -","2","1","","Nabi A. Magomedov; Piero L. Ruggiero; Yuchen Tang","Remarkably Facile Hexatriene Electrocyclizations as a Route to Functionalized Cyclohexenones via Ring Expansion of Cyclobutenones","Journal of the American Chemical Society","2004","126","","1624","1625","10.1021/ja0399066","","","0.71073","MoKα","","0.0501","0.038","","","0.0925","0.0977","","","","","","1.07","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112245","8.1957","0.0006","9.8799","0.0007","13.1784","0.0009","99.176","0.001","98.87","0.001","98.501","0.001","1024.45","0.13","193","2","193","2","","","","","","","","4","P -1","-P 1","2","MAGYT01","","","- C26 H22 O3 S -","- C26 H22 O3 S -","- C52 H44 O6 S2 -","2","1","","Nabi A. Magomedov; Piero L. Ruggiero; Yuchen Tang","Remarkably Facile Hexatriene Electrocyclizations as a Route to Functionalized Cyclohexenones via Ring Expansion of Cyclobutenones","Journal of the American Chemical Society","2004","126","","1624","1625","10.1021/ja0399066","","","0.71073","MoKα","","0.0675","0.0521","","","0.1237","0.131","","","","","","1.022","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112246","35.8248","0.0011","23.1245","0.0011","40.7231","0.0016","90","","113.234","0.002","90","","31000","2","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C198.38 H380.76 Cl4.76 Mn30 N4 O106 -","- C198.376 H380.752 Cl4.752 Mn30 N4 O106 -","- C793.504 H1523.01 Cl19.008 Mn120 N16 O424 -","4","0.5","","Monica Soler; Wolfgang Wernsdorfer; Kirsten Folting; Maren Pink; George Christou","Single-Molecule Magnets: A Large Mn30 Molecular Nanomagnet Exhibiting Quantum Tunneling of Magnetization","Journal of the American Chemical Society","2004","126","","2156","2165","10.1021/ja0297638","","","0.71073","MoKα","","0.1414","0.0885","","","0.2718","0.3208","","","","","","1.118","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4112247","18.755","0.002","32.165","0.004","44.134","0.006","90","","90","","90","","26624","6","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C1000 H1000 N500 O500 -","- C1252 N288 O138 -","- C1252 N288 O138 -","1","0.25","","Young Ho Ko; Kyungpil Kim; Jin-Koo Kang; Hyungphil Chun; Jae Wook Lee; Shigeru Sakamoto; Kentaro Yamaguchi; James C. Fettinger; Kimoon Kim","Designed Self-Assembly of Molecular Necklaces Using Host-Stabilized Charge-Transfer Interactions","Journal of the American Chemical Society","2004","126","","1932","1933","10.1021/ja031567t","","","0.71073","MoKα","","0.2864","0.2","","","0.452","0.4994","","","","","","1.62","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112248","7.504","0.001","7.611","0.001","13.86","0.001","84.1","0.01","88.18","0.01","80.42","0.01","776.32","0.16","198","2","198","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 Zr -","- C19 H22 Zr -","- C38 H44 Zr2 -","2","1","","Joachim W. Strauch; Jean-Luc Fauré; Stéphane Bredeau; Cun Wang; Gerald Kehr; Roland Fröhlich; Heinrich Luftmann; Gerhard Erker","(Butadiene)metallocene/B(C6F5)3 Pathway to Catalyst Systems for Stereoselective Methyl Methacrylate Polymerization: Evidence for an Anion Dependent Metallocene Catalyzed Polymerization Process","Journal of the American Chemical Society","2004","126","","2089","2104","10.1021/ja035739y","","","0.71073","MoKα","","0.0443","0.0352","","","0.0791","0.0833","","","","","","1.04","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112249","7.946","0.001","9.841","0.001","12.337","0.001","73.36","0.01","77.47","0.01","68.24","0.01","851.77","0.17","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Cl2 Si Zr -","- C15 H20 Cl2 Si Zr -","- C30 H40 Cl4 Si2 Zr2 -","2","1","","Joachim W. Strauch; Jean-Luc Fauré; Stéphane Bredeau; Cun Wang; Gerald Kehr; Roland Fröhlich; Heinrich Luftmann; Gerhard Erker","(Butadiene)metallocene/B(C6F5)3 Pathway to Catalyst Systems for Stereoselective Methyl Methacrylate Polymerization: Evidence for an Anion Dependent Metallocene Catalyzed Polymerization Process","Journal of the American Chemical Society","2004","126","","2089","2104","10.1021/ja035739y","","","0.71073","MoKα","","0.051","0.0334","","","0.0589","0.064","","","","","","1.029","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112250","9.939","0.001","12.73","0.001","15.109","0.001","90","","106.39","0.01","90","","1834","0.3","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl2 Si Zr -","- C16 H22 Cl2 Si Zr -","- C64 H88 Cl8 Si4 Zr4 -","4","1","","Joachim W. Strauch; Jean-Luc Fauré; Stéphane Bredeau; Cun Wang; Gerald Kehr; Roland Fröhlich; Heinrich Luftmann; Gerhard Erker","(Butadiene)metallocene/B(C6F5)3 Pathway to Catalyst Systems for Stereoselective Methyl Methacrylate Polymerization: Evidence for an Anion Dependent Metallocene Catalyzed Polymerization Process","Journal of the American Chemical Society","2004","126","","2089","2104","10.1021/ja035739y","","","0.71073","MoKα","","0.0961","0.0709","","","0.1661","0.1775","","","","","","1.015","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112251","10.5307","0.0004","14.7683","0.0005","19.5511","0.0007","90","","92.604","0.001","90","","3037.46","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H51 N2 P2 Re Si2 -","- C25 H51 N2 P2 Re Si2 -","- C100 H204 N8 P8 Re4 Si8 -","4","1","","Oleg V. Ozerov; Maren Pink; Lori A. Watson; Kenneth G. Caulton","Aromatic vs Aliphatic C-H Cleavage of Alkyl-Substituted Pyridines by (PNPiPr)Re Compounds","Journal of the American Chemical Society","2004","126","","2105","2113","10.1021/ja036999i","","","0.71073","MoKα","","0.0181","0.0161","","","0.0408","0.0419","","","","","","1.064","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4112252","12.887","0.0004","16.9003","0.0005","14.1618","0.0004","90","","90","","90","","3084.36","0.16","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H51 N2 P2 Re Si2 -","- C24 H51 N2 P2 Re Si2 -","- C96 H204 N8 P8 Re4 Si8 -","4","0.5","","Oleg V. Ozerov; Maren Pink; Lori A. Watson; Kenneth G. Caulton","Aromatic vs Aliphatic C-H Cleavage of Alkyl-Substituted Pyridines by (PNPiPr)Re Compounds","Journal of the American Chemical Society","2004","126","","2105","2113","10.1021/ja036999i","","","0.71073","MoKα","","0.016","0.0146","","","0.0379","0.0386","","","","","","1.106","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4112253","19.3458","0.0008","10.7479","0.0004","18.3294","0.0007","90","","113.714","0.001","90","","3489.4","0.2","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H56 N3 P2 Re Si2 -","- C30 H56 N3 P2 Re Si2 -","- C120 H224 N12 P8 Re4 Si8 -","4","1","","Oleg V. Ozerov; Maren Pink; Lori A. Watson; Kenneth G. Caulton","Aromatic vs Aliphatic C-H Cleavage of Alkyl-Substituted Pyridines by (PNPiPr)Re Compounds","Journal of the American Chemical Society","2004","126","","2105","2113","10.1021/ja036999i","","","0.71073","MoKα","","0.036","0.0266","","","0.0588","0.0622","","","","","","1.025","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4112254","9.961","0.004","20.869","0.005","9.596","0.004","90","","90","","90","","1994.8","1.2","293","2","180","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O6 -","- C19 H32 O6 -","- C76 H128 O24 -","4","1","","Paul T. O'Sullivan; Wilm Buhr; Mary Ann M. Fuhry; Justin R. Harrison; John E. Davies; Neil Feeder; David R. Marshall; Jonathan W. Burton; Andrew B. Holmes","A Concise Synthesis of the Octalactins","Journal of the American Chemical Society","2004","126","","2194","2207","10.1021/ja038353w","","","0.71073","MoKα","","0.0792","0.0448","","0.0838","0.0755","","","","0.95","1.013","1.013","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112255","12.843","0.002","12.843","0.002","7.107","0.003","90","","90","","120","","1015.2","0.5","180","2","180","2","","","","","","","","3","P 31","P 31","144","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C39 H60 O15 -","3","1","","Paul T. O'Sullivan; Wilm Buhr; Mary Ann M. Fuhry; Justin R. Harrison; John E. Davies; Neil Feeder; David R. Marshall; Jonathan W. Burton; Andrew B. Holmes","A Concise Synthesis of the Octalactins","Journal of the American Chemical Society","2004","126","","2194","2207","10.1021/ja038353w","","","0.71069","MoKα","","0.0613","0.0443","","0.1013","0.0938","","","","1.05","1.098","1.098","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112256","8.6787","0.0007","7.5719","0.0007","12.761","0.001","90","","105.193","0.002","90","","809.27","0.12","298.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","0.7107","MoKα","","","0.0458","","","","0.1326","","","","","","1.273","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112257","8.6023","0.0004","8.889","0.002","5.287","0.0006","96.305","0.004","105.636","0.005","87.323","0.008","386.9","0.1","298.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C16 H16 O8 -","2","1","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","0.7107","MoKα","","","0.0623","","","","0.1834","","","","","","1.822","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112258","13.483","0.002","21.392","0.003","6.8956","0.0009","90","","90","","90","","1988.9","0.5","296.2","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C80 H96 O32 -","8","1","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.0721","","","","0.1558","","","","","","1.561","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112259","24.6","0.01","9.724","0.001","10.864","0.002","90","","109.32","0.02","90","","2452.4","1.2","197.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 O8 -","- C24 H32 O8 -","- C96 H128 O32 -","4","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","0.7107","MoKα","","","0.0525","","","","0.1169","","","","","","1.67","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112260","15.76","0.006","8.4013","0.0008","19.395","0.002","90","","99.29","0.02","90","","2534.3","1","197.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 O8 -","- C24 H32 O8 -","- C96 H128 O32 -","4","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","0.7107","MoKα","","","0.0528","","","","0.0907","","","","","","1.513","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112261","10.8775","0.0008","7.9949","0.0003","18.0881","0.0009","90","","92.459","0.004","90","","1571.57","0.15","204.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.0557","","","","0.1506","","","","","","1.862","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112262","7.646","0.0005","15.981","0.002","10.006","0.001","90","","105.371","0.004","90","","1178.9","0.2","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl4 O8 -","- C20 H20 Cl4 O8 -","- C40 H40 Cl8 O16 -","2","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.0512","","","","0.1331","","","","","","1.37","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112263","11.934","0.003","7.64","0.001","12.737","0.002","90","","97.145","0.009","90","","1152.3","0.4","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl4 O8 -","- C20 H20 Cl4 O8 -","- C40 H40 Cl8 O16 -","2","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.1074","","","","0.2534","","","","","","3.243","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112264","6.9884","0.0008","7.7551","0.0006","12.177","0.001","102.295","0.003","97.575","0.003","106.277","0.006","605.92","0.1","193.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 Br4 O8 -","- C20 H20 Br4 O8 -","- C20 H20 Br4 O8 -","1","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.1034","","","","0.3566","","","","","","1.754","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112265","4.9861","0.0005","30.653","0.002","8.0969","0.0005","90","","98.386","0.004","90","","1224.29","0.17","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br4 O8 -","- C20 H20 Br4 O8 -","- C40 H40 Br8 O16 -","2","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.0697","","","","0.196","","","","","","1.485","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112266","9.1628","0.0018","9.954","0.002","10.825","0.002","88.81","0.03","81.14","0.03","76.49","0.03","948.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H36 Cu P -","- C19 H36 Cu P -","- C38 H72 Cu2 P2 -","2","1","","Frank Schaper; Stephen R. Foley; Richard F. Jordan","Acrylonitrile Polymerization by Cy3PCuMe and (Bipy)2FeEt2","Journal of the American Chemical Society","2004","126","","2114","2124","10.1021/ja039018a","","","0.71073","MoKα","","0.0254","0.025","","","0.0672","0.0675","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112267","23.245","0.004","20.453","0.004","24.056","0.005","90","","92.674","0.006","90","","11424","4","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H89 N2 P2 V -","- C59 H88.5 N2 P2 V -","- C472 H708 N16 P16 V8 -","8","2","","Falguni Basuli; Brad C. Bailey; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal and Four-Coordinate Vanadium(IV) Phosphinidene Complexes. A Pseudo Jahn-Teller Effect of Second Order Stabilizing the V-P Multiple Bond","Journal of the American Chemical Society","2004","126","","1924","1925","10.1021/ja0392216","","","0.71073","MoKα","","0.1358","0.0991","","","0.2409","0.256","","","","","","1.128","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112268","11.6061","0.0011","20.072","0.002","22.09","0.002","92.901","0.003","98.233","0.002","94.051","0.002","5070.7","0.8","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.25 H81 N2 P V -","- C53.25 H81 N2 P V -","- C213 H324 N8 P4 V4 -","4","2","","Falguni Basuli; Brad C. Bailey; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal and Four-Coordinate Vanadium(IV) Phosphinidene Complexes. A Pseudo Jahn-Teller Effect of Second Order Stabilizing the V-P Multiple Bond","Journal of the American Chemical Society","2004","126","","1924","1925","10.1021/ja0392216","","","0.71073","MoKα","","0.0805","0.0398","","","0.0809","0.0867","","","","","","0.851","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112269","21.442","0.005","23.415","0.005","20.355","0.005","90","","113.933","0.006","90","","9341","4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H75 N2 P V -","- C49 H75 N2 P V -","- C392 H600 N16 P8 V8 -","8","2","","Falguni Basuli; Brad C. Bailey; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal and Four-Coordinate Vanadium(IV) Phosphinidene Complexes. A Pseudo Jahn-Teller Effect of Second Order Stabilizing the V-P Multiple Bond","Journal of the American Chemical Society","2004","126","","1924","1925","10.1021/ja0392216","","","0.71073","MoKα","","0.1548","0.0698","","","0.1525","0.1658","","","","","","0.86","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112270","11.4072","0.0005","34.6761","0.0015","20.2364","0.0009","90","","97.845","0.001","90","","7929.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H61 Cl Os P2 -","- C42 H61 Cl Os P2 -","- C336 H488 Cl8 Os8 P16 -","8","2","","Pilar Barrio; Miguel A. Esteruelas; Enrique Oñate","Preparation and Characterization of an Isometallabenzene with the Structure of a 1,2,4-Cyclohexatriene","Journal of the American Chemical Society","2004","126","","1946","1947","10.1021/ja039633e","","","0.71073","MoKα","","0.0561","0.0377","","","0.0669","0.0774","","","","","","1.022","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112271","11.3001","0.0013","15.9455","0.0019","21.99","0.003","90","","95.448","0.002","90","","3944.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H61 B F4 Os P2 -","- C42 H61 B F4 Os P2 -","- C168 H244 B4 F16 Os4 P8 -","4","1","","Pilar Barrio; Miguel A. Esteruelas; Enrique Oñate","Preparation and Characterization of an Isometallabenzene with the Structure of a 1,2,4-Cyclohexatriene","Journal of the American Chemical Society","2004","126","","1946","1947","10.1021/ja039633e","","","0.71073","MoKα","","0.1315","0.0607","","","0.0859","0.0995","","","","","","0.869","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112272","13.848","0.001","22.329","0.001","13.845","0.001","90","","112.676","0.002","90","","3950.1","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H95 Na O16 -","- C64 H90 Na O16 -","- C128 H180 Na2 O32 -","2","1","","Eun Joo Kang; Eun Jin Cho; Young Eun Lee; Mi Kyung Ji; Dong Mok Shin; Young Keun Chung; Eun Lee","Total Synthesis of (+)-SCH 351448","Journal of the American Chemical Society","2004","126","","2680","2681","10.1021/ja0315309","","","0.71073","MoKα","","0.2039","0.1041","","","0.2452","0.2833","","","","","","0.838","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112273","11.306","0.003","10.404","0.003","39.541","0.01","90","","93.282","0.005","90","","4643","2","173","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.5 H51 Cl Fe N4 O4 -","- C52.5 H50 Cl Fe N4 O4 -","- C210 H200 Cl4 Fe4 N16 O16 -","4","1","","Sungho Yoon; Stephen J. Lippard","Synthesis and Characterization of Carboxylate-Rich Complexes Having the {Fe2(μ-OH)2(μ-O2CR)}3+ and {Fe2(μ-O)(μ-O2CR)}3+ Cores of O2-Dependent Diiron Enzymes","Journal of the American Chemical Society","2004","126","","2666","2667","10.1021/ja031603o","","","0.71073","MoKα","","0.0734","0.0564","","","0.1324","0.1434","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112274","15.385","0.009","28.695","0.017","21.194","0.012","90","","91.151","0.012","90","","9355","9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97.25 H94.5 Cl6.5 Fe2 N4 O11 -","- C97.25 H93 Cl6.5 Fe2 N4 O11 -","- C389 H372 Cl26 Fe8 N16 O44 -","4","1","","Sungho Yoon; Stephen J. Lippard","Synthesis and Characterization of Carboxylate-Rich Complexes Having the {Fe2(μ-OH)2(μ-O2CR)}3+ and {Fe2(μ-O)(μ-O2CR)}3+ Cores of O2-Dependent Diiron Enzymes","Journal of the American Chemical Society","2004","126","","2666","2667","10.1021/ja031603o","","","0.71073","MoKα","","0.1716","0.0928","","","0.2028","0.2454","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112275","11.0023","0.0016","13.702","0.002","15.552","0.002","68.884","0.002","88.421","0.002","77.728","0.002","2134","0.5","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 F4 Fe N4 O4 -","- C48 H38 F4 Fe N4 O4 -","- C96 H76 F8 Fe2 N8 O8 -","2","1","","Sungho Yoon; Stephen J. Lippard","Synthesis and Characterization of Carboxylate-Rich Complexes Having the {Fe2(μ-OH)2(μ-O2CR)}3+ and {Fe2(μ-O)(μ-O2CR)}3+ Cores of O2-Dependent Diiron Enzymes","Journal of the American Chemical Society","2004","126","","2666","2667","10.1021/ja031603o","","","0.71073","MoKα","","0.0431","0.0357","","","0.093","0.0972","","","","","","1.033","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112276","13.92","0.002","15.434","0.002","19.559","0.003","88.767","0.002","88.313","0.002","84.813","0.002","4182.3","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H70 Cl2 F8 Fe2 N6 O9 -","- C92 H66.5 Cl2 F8 Fe2 N6 O9 -","- C184 H133 Cl4 F16 Fe4 N12 O18 -","2","1","","Sungho Yoon; Stephen J. Lippard","Synthesis and Characterization of Carboxylate-Rich Complexes Having the {Fe2(μ-OH)2(μ-O2CR)}3+ and {Fe2(μ-O)(μ-O2CR)}3+ Cores of O2-Dependent Diiron Enzymes","Journal of the American Chemical Society","2004","126","","2666","2667","10.1021/ja031603o","","","0.71073","MoKα","","0.0781","0.0672","","","0.2057","0.2225","","","","","","0.973","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112277","13.096","0.0009","10.0714","0.0007","11.0398","0.0008","90","","102.604","0.001","90","","1421.01","0.17","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","cesium uranyl(VI) periodate","","","- Cs I O15.5 U3 -","- Cs I O15.5 U3 -","- Cs4 I4 O62 U12 -","4","1","","Tyler A. Sullens; Rebecca A. Jensen; Tatiana Y. Shvareva; Thomas E. Albrecht-Schmitt","Cation-Cation Interactions between Uranyl Cations in a Polar Open-Framework Uranyl Periodate","Journal of the American Chemical Society","2004","126","","2676","2677","10.1021/ja031695h","","","0.71073","MoKα","","0.0261","0.0239","","","0.0472","0.0478","","","","","","0.705","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112278","13.6002","0.0014","13.6002","0.0014","51.477","0.01","90","","90","","90","","9521","2","293","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C42 H49 Cl2 F12 O P2 Rh Sb2 -","- C42 H47 Cl2 F12 O P2 Rh Sb2 -","- C336 H376 Cl16 F96 O8 P16 Rh8 Sb16 -","8","1","","Daniel Carmona; M. Pilar Lamata; Fernando Viguri; Ricardo Rodríguez; Luis A. Oro; Ana I. Balana; Fernando J. Lahoz; Tomás Tejero; Pedro Merino; Santiago Franco; Isabel Montesa","The Complete Characterization of a Rhodium Lewis Acid-Dipolarophile Complex as an Intermediate for the Enantioselective Catalytic 1,3-Dipolar Cycloaddition of C,N-Diphenylnitrone to Methacrolein","Journal of the American Chemical Society","2004","126","","2716","2717","10.1021/ja031995z","","","0.71073","MoKα","","0.0528","0.0515","","","0.1152","0.1159","","","","","","1.335","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112279","10.2263","0.0009","10.6226","0.0009","19.4884","0.0017","94.017","0.002","90.634","0.002","107.305","0.001","2015.1","0.3","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 Cu2 N2 S4 -","- C40 H52 Cu2 N2 S4 -","- C80 H104 Cu4 N4 S8 -","2","1","","Seth B. Harkins; Jonas C. Peters","Amido-Bridged Cu2N2 Diamond Cores that Minimize Structural Reorganization and Facilitate Reversible Redox Behavior between a Cu1Cu1 and a Class III Delocalized Cu1.5Cu1.5 Species","Journal of the American Chemical Society","2004","126","","2885","2893","10.1021/ja037364m","","","0.71073","MoKα","","0.0416","0.0303","","","0.066","0.0685","","","","","","1.464","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112280","10.3179","0.0008","19.3779","0.0014","19.9116","0.0015","74.234","0.001","83.222","0.001","85.603","0.001","3800.4","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H69 B Cu2 F24 N2 O0.5 S4 -","- C74 H69 B Cu2 F24 N2 O0.5 S4 -","- C148 H138 B2 Cu4 F48 N4 O S8 -","2","1","","Seth B. Harkins; Jonas C. Peters","Amido-Bridged Cu2N2 Diamond Cores that Minimize Structural Reorganization and Facilitate Reversible Redox Behavior between a Cu1Cu1 and a Class III Delocalized Cu1.5Cu1.5 Species","Journal of the American Chemical Society","2004","126","","2885","2893","10.1021/ja037364m","","","0.71073","MoKα","","0.0597","0.0393","","","0.081","0.085","","","","","","1.58","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112281","17.0807","0.0013","12.3173","0.001","19.5782","0.0015","90","","90","","90","","4119","0.6","96","2","96","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cl Cu N S2 -","- C20 H26 Cl Cu N S2 -","- C160 H208 Cl8 Cu8 N8 S16 -","8","1","","Seth B. Harkins; Jonas C. Peters","Amido-Bridged Cu2N2 Diamond Cores that Minimize Structural Reorganization and Facilitate Reversible Redox Behavior between a Cu1Cu1 and a Class III Delocalized Cu1.5Cu1.5 Species","Journal of the American Chemical Society","2004","126","","2885","2893","10.1021/ja037364m","","","0.71073","MoKα","","0.0664","0.0381","","","0.0694","0.0753","","","","","","1.235","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112282","7.7325","0.001","15.6579","0.0013","35.803","0.002","90","","90","","90","","4334.8","0.7","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H33 Al N2 O2 -","- C23 H33 Al N2 O2 -","- C184 H264 Al8 N16 O16 -","8","1","","Pimpa Hormnirun; Edward L. Marshall; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Remarkable Stereocontrol in the Polymerization of Racemic Lactide Using Aluminum Initiators Supported by Tetradentate Aminophenoxide Ligands","Journal of the American Chemical Society","2004","126","","2688","2689","10.1021/ja038757o","","","1.54178","CuKα","","0.0572","0.0451","","","0.1141","0.1202","","","","","","1.021","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112283","14.8173","0.0014","14.8173","0.0014","14.8173","0.0014","90","","90","","90","","3253.2","0.5","293","2","293","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C24 H66 Ca6 K3 N25 O39 -","- C24.14 H48 Ca6 K3 N25 O39 -","- C48.28 H96 Ca12 K6 N50 O78 -","2","0.0208333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0555","0.0544","","","0.1734","0.1745","","","","","","1.176","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112284","14.7493","0.0004","14.7493","0.0004","14.7493","0.0004","90","","90","","90","","3208.59","0.15","293","2","293","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C24 H70 Cd6 N25 Na3 O41 -","- C21.02 H48 Cd6 N25 Na3 O40.98 -","- C42.04 H96 Cd12 N50 Na6 O81.96 -","2","0.0208333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0375","0.0372","","","0.1193","0.1196","","","","","","1.395","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112285","28.9057","0.0004","28.9057","0.0004","28.9057","0.0004","90","","90","","90","","24151.9","0.6","293","2","293","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H64 Co6 N25 Na3 O38 -","- C23.96 H48 Co6 N25 Na3 O37.98 -","- C383.36 H768 Co96 N400 Na48 O607.68 -","16","0.0833333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0355","0.0257","","","0.0922","0.1048","","","","","","1.144","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112286","29.0191","0.0007","29.0191","0.0007","29.0191","0.0007","90","","90","","90","","24437.2","1","293","2","293","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H64 Fe6 N25 Na3 O38 -","- C24.02 H48 Fe6 N25 Na3 O37.98 -","- C384.32 H768 Fe96 N400 Na48 O607.68 -","16","0.0833333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0647","0.0511","","","0.1763","0.1967","","","","","","1.133","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112287","14.5662","0.0008","14.5662","0.0008","14.5662","0.0008","90","","90","","90","","3090.6","0.3","293","2","293","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C24 H66 Mn6 N25 Na3 O39 -","- C24.14 H48 Mn6 N25 Na3 O39 -","- C48.28 H96 Mn12 N50 Na6 O78 -","2","0.0208333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.061","0.0562","","","0.164","0.1668","","","","","","1.159","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112288","28.778","0.0011","28.778","0.0011","28.778","0.0011","90","","90","","90","","23833.2","1.6","293","2","293","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H64 N25 Na3 Ni6 O38 -","- C24.02 H48 N25 Na3 Ni6 O37.98 -","- C384.32 H768 N400 Na48 Ni96 O607.68 -","16","0.0833333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0739","0.0644","","","0.157","0.1625","","","","","","1.352","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112289","28.9736","0.0012","28.9736","0.0012","28.9736","0.0012","90","","90","","90","","24322.5","1.7","293","2","566","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H64 N25 Na3 O38 Zn6 -","- C24.08 H48 N25 Na3 O37.98 Zn6 -","- C385.28 H768 N400 Na48 O607.68 Zn96 -","16","0.0833333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0683","0.0306","","","0.0919","0.1132","","","","","","1.013","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112290","12.384","0.005","21.871","0.009","16.751","0.007","90","","104.875","0.009","90","","4385","3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H70 N2 Si Sn -","- C46 H70 N2 Si Sn -","- C184 H280 N8 Si4 Sn4 -","4","1","","Wataru Setaka; Katsuyuki Hirai; Hideo Tomioka; Kenkichi Sakamoto; Mitsuo Kira","Stannaacetylene (RSn\τbCR') Showing Carbene-like Reaction Mode","Journal of the American Chemical Society","2004","126","","2696","2697","10.1021/ja0389974","","","0.71073","MoKα","","0.1252","0.0601","","","0.1119","0.1288","","","","","","0.879","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112291","16.407","0.004","21.904","0.005","24.092","0.005","90","","106.357","0.004","90","","8308","3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H70 Si Sn -","- C46 H70 Si Sn -","- C368 H560 Si8 Sn8 -","8","2","","Wataru Setaka; Katsuyuki Hirai; Hideo Tomioka; Kenkichi Sakamoto; Mitsuo Kira","Stannaacetylene (RSn\τbCR') Showing Carbene-like Reaction Mode","Journal of the American Chemical Society","2004","126","","2696","2697","10.1021/ja0389974","","","0.71073","MoKα","","0.0972","0.0596","","","0.1454","0.1676","","","","","","1.033","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112292","32.965","0.003","8.034","","16.39","0.002","90","","90.701","0.003","90","","4340.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 O5 S2 -","- C23 H24 O5 S2 -","- C184 H192 O40 S16 -","8","1","","Sang Ick Lee; Ji Hoon Park; Young Keun Chung; Sueg-Geun Lee","Rhodium-Catalyzed Carbonylative [3+2+1] Cycloaddition Reaction: Catalytic Formation of Bicyclic Cyclohexenones from Trienes and Carbon Monoxide","Journal of the American Chemical Society","2004","126","","2714","2715","10.1021/ja039301+","","","0.71073","MoKα","","0.1493","0.1244","","","0.3467","0.3639","","","","","","1.139","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112293","6.693","0.002","7.705","0.001","8.731","0.002","103.18","0.02","111.12","0.02","90.38","0.02","406.99","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 I4 Ir2 O4 -","- C6 H6 I4 Ir2 O4 -","- C6 H6 I4 Ir2 O4 -","1","0.5","","Anthony Haynes; Peter M. Maitlis; George E. Morris; Glenn J. Sunley; Harry Adams; Peter W. Badger; Craig M. Bowers; David B. Cook; Paul I. P. Elliott; Talit Ghaffar; Helena Green; Tim R. Griffin; Marc Payne; Jean M. Pearson; Michael J. Taylor; Paul W. Vickers; Rob J. Watt","Promotion of Iridium-Catalyzed Methanol Carbonylation: Mechanistic Studies of the Cativa Process","Journal of the American Chemical Society","2004","126","","2847","2861","10.1021/ja039464y","","","0.71073","MoKα","","0.0567","0.0548","","0.1585","0.1557","","","","1.083","1.094","1.094","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112294","12.351","0.003","16.5","0.004","15.971","0.004","90","","110.277","0.004","90","","3053.1","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 As I3 Ir O3 -","- C28 H23 As I3 Ir O3 -","- C112 H92 As4 I12 Ir4 O12 -","4","1","","Anthony Haynes; Peter M. Maitlis; George E. Morris; Glenn J. Sunley; Harry Adams; Peter W. Badger; Craig M. Bowers; David B. Cook; Paul I. P. Elliott; Talit Ghaffar; Helena Green; Tim R. Griffin; Marc Payne; Jean M. Pearson; Michael J. Taylor; Paul W. Vickers; Rob J. Watt","Promotion of Iridium-Catalyzed Methanol Carbonylation: Mechanistic Studies of the Cativa Process","Journal of the American Chemical Society","2004","126","","2847","2861","10.1021/ja039464y","","","0.71073","MoKα","","0.0434","0.0325","","","0.077","0.0809","","","","","","1.007","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112295","10.385","0.0008","10.6155","0.0009","14.4068","0.0012","81.854","0.001","85.35","0.001","73.086","0.002","1502.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","L(delta)Zn(NCCH3).CH2Cl2","","","- C31 H37 Cl2 N5 Zn -","- C31 H37 Cl2 N5 Zn -","- C62 H74 Cl4 N10 Zn2 -","2","1","","Julien Bachmann; Daniel G. Nocera","Multielectron Chemistry of Zinc Porphyrinogen: A Ligand-Based Platform for Two-Electron Mixed Valency","Journal of the American Chemical Society","2004","126","","2829","2837","10.1021/ja039617h","","","0.71073","MoKα","","0.0861","0.0609","","","0.114","0.1227","","","","","","1.071","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112296","12.618","0.007","7.536","0.004","11.418","0.006","90","","97.446","0.009","90","","1076.6","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N4 Se2 -","- C8 H10 N4 Se2 -","- C32 H40 N16 Se8 -","4","0.5","","Gouriprasanna Roy; Munirathinam Nethaji; G. Mugesh","Biomimetic Studies on Anti-Thyroid Drugs and Thyroid Hormone Synthesis","Journal of the American Chemical Society","2004","126","","2712","2713","10.1021/ja039860g","","","0.71073","MoKα","","0.0387","0.0349","","","0.0995","0.1021","","","","","","0.98","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112297","9.486","0.006","9.965","0.006","10.953","0.006","91.403","0.009","111.942","0.008","118.051","0.008","821.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N2 O3 Se -","- C16 H20 N2 O3 Se -","- C32 H40 N4 O6 Se2 -","2","1","","Gouriprasanna Roy; Munirathinam Nethaji; G. Mugesh","Biomimetic Studies on Anti-Thyroid Drugs and Thyroid Hormone Synthesis","Journal of the American Chemical Society","2004","126","","2712","2713","10.1021/ja039860g","","","0.71073","MoKα","","0.0297","0.0264","","","0.0674","0.0693","","","","","","1.042","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112298","18.9647","0.0001","11.3278","0.0001","21.7733","0.0002","90","","90","","90","","4677.52","0.06","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H21 O5 P W -","- C25 H21 O5 P W -","- C200 H168 O40 P8 W8 -","8","2","","J. Chris Slootweg; Marius Schakel; Frans J. J. de Kanter; Andreas W. Ehlers; Sergei I. Kozhushkov; Armin de Meijere; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Branched Phospha[7]triangulanes","Journal of the American Chemical Society","2004","126","","3050","3051","10.1021/ja031648p","","","0.71073","MoKα","","0.045","0.0285","","","0.0378","0.0405","","","","","","0.975","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112299","7.8462","0.0001","12.9734","0.0002","8.7058","0.0001","90","","115.697","0.0006","90","","798.538","0.019","150","2","150","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C20 H21 P -","- C20 H21 P -","- C40 H42 P2 -","2","0.5","","J. Chris Slootweg; Marius Schakel; Frans J. J. de Kanter; Andreas W. Ehlers; Sergei I. Kozhushkov; Armin de Meijere; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Branched Phospha[7]triangulanes","Journal of the American Chemical Society","2004","126","","3050","3051","10.1021/ja031648p","","","0.71073","MoKα","","0.0354","0.0307","","","0.0784","0.0812","","","","","","1.047","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112300","19.13","0.005","19.13","0.005","11.379","0.004","90","","90","","90","","4164","2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","dinickel aspartato-diaqua-oxide tetrahydrate","","- C4 H13 N Ni2 O9 -","- C4 N Ni2 O9 -","- C64 N16 Ni32 O144 -","16","1","","Ekaterina V. Anokhina; Allan J. Jacobson","[Ni2O(l-Asp)(H2O)2].4H2O: A Homochiral 1D Helical Chain Hybrid Compound with Extended Ni-O-Ni Bonding","Journal of the American Chemical Society","2004","126","","3044","3045","10.1021/ja031836f","","","0.71073","MoKα","","0.1502","0.0602","","","0.1255","0.1441","","","","","","0.896","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112301","23.14","0.003","15.364","0.002","24.814","0.003","90","","90","","90","","8821.9","1.9","296.1","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C90 H16 Cu2 F40 N8 O4 -","- C92 H16 Cu2 F40 N8 O8 -","- C368 H64 Cu8 F160 N32 O32 -","4","0.5","","Yasuo Tanaka; Wataru Hoshino; Soji Shimizu; Katsuyuki Youfu; Naoki Aratani; Norihiko Maruyama; Shizuo Fujita; Atsuhiro Osuka","Thermal Splitting of Bis-Cu(II) Octaphyrin(1.1.1.1.1.1.1.1) into Two Cu(II) Porphyrins","Journal of the American Chemical Society","2004","126","","3046","3047","10.1021/ja031935t","","","0.7107","MoKα","","","0.077","","","","0.096","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112302","20.2403","0.0009","20.2403","0.0009","24.0482","0.0016","90","","90","","120","","8531.9","0.8","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H8 Cu F20 N4 -","- C44 H8 Cu F20 N4 -","- C396 H72 Cu9 F180 N36 -","9","0.5","","Yasuo Tanaka; Wataru Hoshino; Soji Shimizu; Katsuyuki Youfu; Naoki Aratani; Norihiko Maruyama; Shizuo Fujita; Atsuhiro Osuka","Thermal Splitting of Bis-Cu(II) Octaphyrin(1.1.1.1.1.1.1.1) into Two Cu(II) Porphyrins","Journal of the American Chemical Society","2004","126","","3046","3047","10.1021/ja031935t","","","0.71073","MoKα","","0.0502","0.0469","","","0.1178","0.1203","","","","","","1.102","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112303","10.0038","0.0006","30.3064","0.0019","12.6144","0.0008","90","","109.696","0.001","90","","3600.7","0.4","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Si4 -","- C36 H44 Si4 -","- C144 H176 Si16 -","4","1","","Patrick M. Donovan; Lawrence T. Scott","Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure","Journal of the American Chemical Society","2004","126","","3108","3112","10.1021/ja038254i","","","0.71073","MoKα","","0.0934","0.0618","","","0.169","0.1855","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112304","16.087","0.002","4.6626","0.0007","15.988","0.002","90","","108.26","0.003","90","","1138.8","0.3","193","2","193","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C18 H10 O -","- C18 H10 O -","- C72 H40 O4 -","4","2","","Patrick M. Donovan; Lawrence T. Scott","Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure","Journal of the American Chemical Society","2004","126","","3108","3112","10.1021/ja038254i","","","0.71073","MoKα","","0.0951","0.0513","","","0.1172","0.1363","","","","","","0.889","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112305","8.2248","0.0012","9.9887","0.0015","13.0969","0.0018","77.512","0.004","81.672","0.004","67.844","0.004","970.6","0.2","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C26 H28 -","- C26 H28 -","- C52 H56 -","2","1","","Patrick M. Donovan; Lawrence T. Scott","Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure","Journal of the American Chemical Society","2004","126","","3108","3112","10.1021/ja038254i","","","0.71073","MoKα","","0.1143","0.0558","","","0.0956","0.1117","","","","","","0.844","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112306","4.6014","0.0004","15.5555","0.0013","16.5551","0.0013","90","","90","","90","","1184.97","0.17","273","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 S -","- C18 H10 S -","- C72 H40 S4 -","4","1","","Patrick M. Donovan; Lawrence T. Scott","Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure","Journal of the American Chemical Society","2004","126","","3108","3112","10.1021/ja038254i","","","0.71073","MoKα","","0.0468","0.0417","","","0.0932","0.0958","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112307","9.304","0.004","12.17","0.004","16.243","0.006","104.048","0.006","90.555","0.005","107.49","0.005","1694.9","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H33 Mn1.5 N3 O24 Yb -","- C21 H9 Mn1.5 N3 O24 Yb -","- C42 H18 Mn3 N6 O48 Yb2 -","2","1","","Bin Zhao; Peng Cheng; Xiaoyan Chen; Cai Cheng; Wei Shi; Daizheng Liao; Shiping Yan; Zonghui Jiang","Design and Synthesis of 3d-4f Metal-Based Zeolite-type Materials with a 3D Nanotubular Structure Encapsulated ""Water"" Pipe","Journal of the American Chemical Society","2004","126","","3012","3013","10.1021/ja038784e","","","0.71073","MoKα","","0.0444","0.0359","","","0.084","0.0866","","","","","","1.131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112308","15.44","0.005","15.44","0.005","16.254","0.012","90","","90","","120","","3356","3","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C21 H18 Mn1.5 N3 O16.5 Yb -","- C21 H15 Mn1.5 N3 O16.5 Yb -","- C84 H60 Mn6 N12 O66 Yb4 -","4","0.166667","","Bin Zhao; Peng Cheng; Xiaoyan Chen; Cai Cheng; Wei Shi; Daizheng Liao; Shiping Yan; Zonghui Jiang","Design and Synthesis of 3d-4f Metal-Based Zeolite-type Materials with a 3D Nanotubular Structure Encapsulated ""Water"" Pipe","Journal of the American Chemical Society","2004","126","","3012","3013","10.1021/ja038784e","","","0.71073","MoKα","","0.1019","0.0503","","","0.1","0.1188","","","","","","1.093","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112309","8.946","0.004","10","0.004","16.443","0.007","90","","90","","90","","1471","1.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DJM2471m","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Norihiro Ikemoto; David M. Tellers; Spencer D. Dreher; Jinchu Liu; Angie Huang; Nelo R. Rivera; Eugenia Njolito; Yi Hsiao; J. Christopher McWilliams; J. Michael Williams; Joseph D. Armstrong; Yongkui Sun; David J. Mathre; Edward J. J. Grabowski; Richard D. Tillyer","Highly Diastereoselective Heterogeneously Catalyzed Hydrogenation of Enamines for the Synthesis of Chiral β-Amino Acid Derivatives","Journal of the American Chemical Society","2004","126","","3048","3049","10.1021/ja038812t","","","0.71073","MoKα","","0.0415","0.0393","","","0.1044","0.1061","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112310","8.007","0.0012","10.4126","0.0016","22.468","0.003","90","","90","","90","","1873.2","0.5","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","djm2831m","","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C72 H84 Cl4 N8 O12 -","4","1","","Norihiro Ikemoto; David M. Tellers; Spencer D. Dreher; Jinchu Liu; Angie Huang; Nelo R. Rivera; Eugenia Njolito; Yi Hsiao; J. Christopher McWilliams; J. Michael Williams; Joseph D. Armstrong; Yongkui Sun; David J. Mathre; Edward J. J. Grabowski; Richard D. Tillyer","Highly Diastereoselective Heterogeneously Catalyzed Hydrogenation of Enamines for the Synthesis of Chiral β-Amino Acid Derivatives","Journal of the American Chemical Society","2004","126","","3048","3049","10.1021/ja038812t","","","0.71073","MoKα","","0.0454","0.0371","","","0.0789","0.0815","","","","","","0.934","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112311","12.4683","0.0007","29.6664","0.0015","12.408","0.0005","90","","90","","90","","4589.6","0.4","297","2","297","2","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C12 H29 Cl2 N7 O10 Zn -","- C12 H29 Cl2 N7 O10.43 Zn -","- C96 H232 Cl16 N56 O83.44 Zn8 -","8","1","","Michael Subat; Andrew S. Borovik; Burkhard König","Synthetic Creatinine Receptor: Imprinting of a Lewis Acidic Zinc(II)cyclen Binding Site to Shape Its Molecular Recognition Selectivity","Journal of the American Chemical Society","2004","126","","3185","3190","10.1021/ja038980l","","","0.71073","MoKα","","0.0555","0.0469","","","0.1322","0.1386","","","","","","1.063","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112312","7.68","0.005","8.211","0.005","9.594","0.005","96.716","0.005","113.151","0.005","107.298","0.005","511.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,5:4',5'-Bis(bicyclo[2.2.2]octeno)-2,2'-bithiophene radical cation hexafluoroantimonate","","- C20 H22 F6 S2 Sb -","- C20 H22 F6 S2 Sb -","- C20 H22 F6 S2 Sb -","1","0.5","","Tohru Nishinaga; Atsushi Wakamiya; Daisuke Yamazaki; Koichi Komatsu","Crystal Structures and Spectroscopic Characterization of Radical Cations and Dications of Oligothiophenes Stabilized by Annelation with Bicyclo[2.2.2]octene Units: Sterically Segregated Cationic Oligothiophenes","Journal of the American Chemical Society","2004","126","","3163","3174","10.1021/ja039434v","","","0.71069","MoKα","","0.0375","0.0345","","","0.081","0.0822","","","","","","1.021","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112313","9.653","0.005","12.687","0.005","13.237","0.005","94.644","0.005","100.024","0.005","98.039","0.005","1571.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4,5:4'',5''-Bis(bicyclo[2.2.2]octeno)- 3',4'-bicyclo[2.2.2]octano-2,2':5',2''- terthiophene radical cation hexafluoroantimonate","","- C31 H34 Cl2 F6 S3 Sb -","- C31 H34 Cl2 F6 S3 Sb -","- C62 H68 Cl4 F12 S6 Sb2 -","2","1","","Tohru Nishinaga; Atsushi Wakamiya; Daisuke Yamazaki; Koichi Komatsu","Crystal Structures and Spectroscopic Characterization of Radical Cations and Dications of Oligothiophenes Stabilized by Annelation with Bicyclo[2.2.2]octene Units: Sterically Segregated Cationic Oligothiophenes","Journal of the American Chemical Society","2004","126","","3163","3174","10.1021/ja039434v","","","0.71069","MoKα","","0.0673","0.0605","","","0.1815","0.1856","","","","","","1.088","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112314","7.918","0.005","9.912","0.005","13.964","0.005","109.542","0.005","100.177","0.005","97.274","0.005","996","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,5:4''',5'''-Bis(bicyclo[2.2.2]octeno)- 3',4':3'',4''-bis(bicyclo[2.2.2]octano)- 2,2':5',2'',5'',2'''-quarterthiophene dication bis(hexafluoroantimonate)","","- C40 H42 F12 S4 Sb2 -","- C40 H42 F12 S4 Sb2 -","- C40 H42 F12 S4 Sb2 -","1","0.5","","Tohru Nishinaga; Atsushi Wakamiya; Daisuke Yamazaki; Koichi Komatsu","Crystal Structures and Spectroscopic Characterization of Radical Cations and Dications of Oligothiophenes Stabilized by Annelation with Bicyclo[2.2.2]octene Units: Sterically Segregated Cationic Oligothiophenes","Journal of the American Chemical Society","2004","126","","3163","3174","10.1021/ja039434v","","","0.71069","MoKα","","0.0834","0.0509","","","0.081","0.0872","","","","","","1","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112315","11.197","0.005","16.574","0.005","16.88","0.005","79.113","0.005","82.739","0.005","77.222","0.005","2988.3","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4,5:4''''',5'''''-Bis(bicyclo[2.2.2]octeno)- 3',4':3'',4'':3''',4''':3'''',4''''-tetraxis (bicyclo[2.2.2]octeno)- 2,2':5',2'':5'',2''':5''',2'''':5'''',2''''- sexithiophene dication bis(hexafluoroantimonate)","","- C61 H64 Cl2 F12 S6 Sb2 -","- C61 H64 Cl2 F12 S6 Sb2 -","- C122 H128 Cl4 F24 S12 Sb4 -","2","1","","Tohru Nishinaga; Atsushi Wakamiya; Daisuke Yamazaki; Koichi Komatsu","Crystal Structures and Spectroscopic Characterization of Radical Cations and Dications of Oligothiophenes Stabilized by Annelation with Bicyclo[2.2.2]octene Units: Sterically Segregated Cationic Oligothiophenes","Journal of the American Chemical Society","2004","126","","3163","3174","10.1021/ja039434v","","","0.71069","MoKα","","0.1598","0.0644","","","0.0993","0.1226","","","","","","0.878","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112316","15.6475","0.0005","15.6475","0.0005","15.6475","0.0005","90","","90","","90","","3831.2","0.2","298","2","298","2","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","[Cu(2-pymo)2]n.[Li(H2O)4]n/3(NO3)n/3","","","- C24 H26 Cu3 Li N13 O13 -","- C24 Cu3 Li N13 O12.98 -","- C96 Cu12 Li4 N52 O51.92 -","4","0.0833333","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition","Journal of the American Chemical Society","2004","126","","3014","3015","10.1021/ja039472e","","","0.71073","MoKα","","0.0792","0.0631","","","0.181","0.1939","","","","","","1.117","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112317","15.6702","0.0005","15.6702","0.0005","15.6702","0.0005","90","","90","","90","","3847.9","0.2","298","2","298","2","","","","","","","SYNTHETIC","5","P n -3 m :2","-P 4bc 2bc 3","224","[Cu(2-pymo)2]n.(NH4NO3.2H2O)n/3","","","- C24 H24.5 Cu3 N14 O12.25 -","- C24 Cu3 N14.02 O12.29 -","- C96 Cu12 N56.08 O49.16 -","4","0.0833333","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition","Journal of the American Chemical Society","2004","126","","3014","3015","10.1021/ja039472e","","","0.71073","MoKα","","0.2206","0.0809","","","0.2247","0.3154","","","","","","0.967","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112318","18.7829","0.0019","11.0197","0.0011","11.4504","0.0011","90","","90","","90","","2370","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","[(Cu(2-pymo)2)2RbNO3(H2O)]n.nMeOH","","","- C17 H20 Cu2 N9 O10 Rb -","- C17 Cu2 N9 O9 Rb -","- C68 Cu8 N36 O36 Rb4 -","4","1","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition","Journal of the American Chemical Society","2004","126","","3014","3015","10.1021/ja039472e","","","0.71073","MoKα","","0.0813","0.0625","","","0.1778","0.1935","","","","","","1.077","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112319","23.04","0.0015","23.04","0.0015","25.1398","0.0018","90","","90","","120","","11557.3","1.3","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","Hydrated Cu(2-pymo)2","- C8 H8 Cu N4 O3 -","- C7.25 H5.75 Cu N4 O2.5 -","- C261 H207 Cu36 N144 O90 -","36","1","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition","Journal of the American Chemical Society","2004","126","","3014","3015","10.1021/ja039472e","","","1.5418","CuKα","","0.043","","","","","0.057","","","","","","","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112320","9.7529","0.0005","14.7661","0.0007","18.531","0.0009","90","","90.432","0.001","90","","2668.6","0.2","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 B5 Cl5 Re2 -","- C20 H30 B5 Cl5 Re2 -","- C80 H120 B20 Cl20 Re8 -","4","1","","Boris Le Guennic; Haijun Jiao; Samia Kahlal; Jean-Yves Saillard; Jean-François Halet; Sundargopal Ghosh; Maoyu Shang; Alicia M. Beatty; Arnold L. Rheingold; Thomas P. Fehlner","Synthesis and Characterization of Hypoelectronic Rhenaboranes. Analysis of the Geometric and Electronic Structures of Species Following Neither Borane nor Metal Cluster Electron-Counting Paradigms","Journal of the American Chemical Society","2004","126","","3203","3217","10.1021/ja039770b","","","0.71073","MoKα","","0.0365","0.0318","","","0.083","0.0902","","","","","","1.095","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112321","9.3182","0.0005","11.6312","0.0007","23.1331","0.0013","90","","93.082","0.001","90","","2503.6","0.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 B7 Cl Re2 -","- C20 H35 B7 Cl Re2 -","- C80 H140 B28 Cl4 Re8 -","4","1","","Boris Le Guennic; Haijun Jiao; Samia Kahlal; Jean-Yves Saillard; Jean-François Halet; Sundargopal Ghosh; Maoyu Shang; Alicia M. Beatty; Arnold L. Rheingold; Thomas P. Fehlner","Synthesis and Characterization of Hypoelectronic Rhenaboranes. Analysis of the Geometric and Electronic Structures of Species Following Neither Borane nor Metal Cluster Electron-Counting Paradigms","Journal of the American Chemical Society","2004","126","","3203","3217","10.1021/ja039770b","","","0.71073","MoKα","","0.043","0.0347","","","0.0884","0.0972","","","","","","1.064","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112322","12.271","0.004","22.171","0.006","16.232","0.005","90","","108.449","0.005","90","","4189","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H45 F P3 Rh -","- C54 H45 F P3 Rh -","- C216 H180 F4 P12 Rh4 -","4","1","","Vladimir V. Grushin; William J. Marshall","The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation","Journal of the American Chemical Society","2004","126","","3068","3069","10.1021/ja049844z","","","0.71073","MoKα","","0.1618","0.0821","","","0.1905","0.2162","","","","","","0.829","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112323","21.483","0.003","18.103","0.002","17.662","0.002","90","","91.646","0.002","90","","6866","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 F2 P4 Rh2 -","- C78 H66 F2 P4 Rh2 -","- C312 H264 F8 P16 Rh8 -","4","0.5","","Vladimir V. Grushin; William J. Marshall","The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation","Journal of the American Chemical Society","2004","126","","3068","3069","10.1021/ja049844z","","","0.71069","MoKα","","0.0778","0.0642","","","0.1816","0.191","","","","","","1.084","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112324","12.3701","0.0012","20.38","0.002","15.7908","0.0016","90","","94.235","0.002","90","","3970","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cl F P3 Rh -","- C48 H40 Cl F P3 Rh -","- C192 H160 Cl4 F4 P12 Rh4 -","4","1","","Vladimir V. Grushin; William J. Marshall","The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation","Journal of the American Chemical Society","2004","126","","3068","3069","10.1021/ja049844z","","","0.71069","MoKα","","0.0999","0.0466","","","0.0942","0.1151","","","","","","1.005","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112325","12.6873","0.0012","14.2048","0.0014","19.9056","0.0019","90","","93.165","0.002","90","","3581.9","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H35 Br2 P2 Rh -","- C42 H35 Br2 P2 Rh -","- C168 H140 Br8 P8 Rh4 -","4","0.5","","Vladimir V. Grushin; William J. Marshall","The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation","Journal of the American Chemical Society","2004","126","","3068","3069","10.1021/ja049844z","","","0.71073","MoKα","","0.0287","0.0222","","","0.0537","0.0567","","","","","","1.03","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112326","38.807","0.004","14.6424","0.0014","23.566","0.002","90","","124.242","0.002","90","","11069.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H52.5 I3 P3 Rh1.5 -","- C63 H52.5 I3 P3 Rh1.5 -","- C504 H420 I24 P24 Rh12 -","8","1","","Vladimir V. Grushin; William J. Marshall","The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation","Journal of the American Chemical Society","2004","126","","3068","3069","10.1021/ja049844z","","","0.71073","MoKα","","0.0395","0.0277","","","0.0647","0.0705","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112327","20.5414","0.0009","21.3611","0.0009","18.455","0.0008","90","","90","","90","","8097.8","0.6","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C29 H34 O14.5 P Pt Ru5 -","- C29 H34 O14.5 P Pt Ru5 -","- C232 H272 O116 P8 Pt8 Ru40 -","8","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)]","Journal of the American Chemical Society","2004","126","10","3042","3043","10.1021/ja049955y","","","0.71073","MoKα","","0.0339","0.0241","","","0.0556","0.0611","","","","","","1.067","","","","has coordinates","180567","2020-10-21","18:00:00",""
"4112328","12.3991","0.0009","12.6807","0.001","16.5292","0.0012","105.157","0.002","104.028","0.002","94.753","0.002","2403.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H47 O12 P Pt Ru5 -","- C40 H47 O12 P Pt Ru5 -","- C80 H94 O24 P2 Pt2 Ru10 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)]","Journal of the American Chemical Society","2004","126","10","3042","3043","10.1021/ja049955y","","","0.71073","MoKα","","0.0431","0.0335","","","0.0741","0.0786","","","","","","1.017","","","","has coordinates","180567","2020-10-21","18:00:00",""
"4112329","13.9323","0.0012","14.6573","0.0012","12.1926","0.0011","90","","90","","90","","2489.8","0.4","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","dinickel aspartato-diaqua-oxide tetrahydrate","","- C4 H17 N Ni2 O11 -","- C4 N Ni2 O10 -","- C32 N8 Ni16 O80 -","8","2","","Ekaterina V. Anokhina; Allan J. Jacobson","[Ni2O(l-Asp)(H2O)2].4H2O: A Homochiral 1D Helical Chain Hybrid Compound with Extended Ni-O-Ni Bonding","Journal of the American Chemical Society","2004","126","","3044","3045","10.1021/ja031836f","powder diffraction","","1.5405","Kα~1~","","","","","","","","0.2784","","3.29","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4112330","12.81","0.002","15.785","0.003","21.78","0.004","96.15","0.005","90.847","0.006","112.399","0.003","4040.9","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H82 Fe2 N O8 P -","- C101 H82 Fe2 N O8 P -","- C202 H164 Fe4 N2 O16 P2 -","2","1","","Emily C. Carson; Stephen J. Lippard","Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes","Journal of the American Chemical Society","2004","126","","3412","3413","10.1021/ja031806c","","","0.71073","MoKα","","0.0605","0.0471","","","0.1155","0.1193","","","","","","0.943","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112331","22.322","0.005","17.485","0.004","25.357","0.005","90","","105.275","0.004","90","","9547","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Fe2(m-O2CArTol)4(4-Ph2Ppy)2]","","","- C119 H98 Cl2 Fe2 N2 O8 P2 -","- C119 H96 Cl2 Fe2 N2 O8 P2 -","- C476 H384 Cl8 Fe8 N8 O32 P8 -","4","0.5","","Emily C. Carson; Stephen J. Lippard","Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes","Journal of the American Chemical Society","2004","126","","3412","3413","10.1021/ja031806c","","","0.71073","MoKα","","0.1047","0.0815","","","0.1744","0.1853","","","","","","1.203","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112332","13.1023","0.0015","16.1989","0.0018","16.5295","0.0018","108.52","0.002","101.298","0.002","113.08","0.002","2846.4","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H116 Fe2 N2 O10 P2 -","- C130 H123 Fe2 N2 O11 P2 -","- C130 H123 Fe2 N2 O11 P2 -","1","0.5","","Emily C. Carson; Stephen J. Lippard","Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes","Journal of the American Chemical Society","2004","126","","3412","3413","10.1021/ja031806c","","","0.71073","MoKα","","0.0932","0.0575","","","0.1474","0.1606","","","","","","0.924","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112333","12.595","0.004","15.545","0.005","21.915","0.006","95.539","0.005","90.483","0.005","113.723","0.004","3905","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H79 Cl Fe2 N O8 S -","- C96 H79 Cl Fe2 N O8 S -","- C192 H158 Cl2 Fe4 N2 O16 S2 -","2","1","","Emily C. Carson; Stephen J. Lippard","Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes","Journal of the American Chemical Society","2004","126","","3412","3413","10.1021/ja031806c","","","0.71073","MoKα","","0.0666","0.0454","","","0.095","0.1023","","","","","","0.956","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112334","11.8024","0.0011","14.7291","0.0013","25.142","0.002","94.819","0.002","97.452","0.002","91.443","0.002","4315.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C109 H92 Cl2 Fe2 N2 O8 -","- C109 H90 Cl2 Fe2 N2 O8 -","- C218 H180 Cl4 Fe4 N4 O16 -","2","1","","Emily C. Carson; Stephen J. Lippard","Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes","Journal of the American Chemical Society","2004","126","","3412","3413","10.1021/ja031806c","","","0.71073","MoKα","","0.0961","0.0574","","","0.1096","0.1289","","","","","","0.941","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112335","8.4392","0.0005","10.3744","0.0006","14.1944","0.0008","100.365","0.001","104.927","0.001","109.695","0.001","1080.87","0.11","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Ni(dippe)(trans-crotonitrile)","","","- C18 H37 N Ni P2 -","- C18 H37 N Ni P2 -","- C36 H74 N2 Ni2 P4 -","2","1","","Nicole M. Brunkan; Donna M. Brestensky; William D. Jones","Kinetics, Thermodynamics, and Effect of BPh3 on Competitive C-C and C-H Bond Activation Reactions in the Interconversion of Allyl Cyanide by [Ni(dippe)]","Journal of the American Chemical Society","2004","126","","3627","3641","10.1021/ja037002e","","","0.71073","MoKα","","0.0455","0.0435","","","0.1046","0.1056","","","","","","1.246","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112336","14.7082","0.0009","14.3447","0.0009","17.1722","0.0011","90","","104.878","0.001","90","","3501.6","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ni(dippe)(allyl)(CNBPh3)","","","- C36 H52 B N Ni P2 -","- C36 H52 B N Ni P2 -","- C144 H208 B4 N4 Ni4 P8 -","4","1","","Nicole M. Brunkan; Donna M. Brestensky; William D. Jones","Kinetics, Thermodynamics, and Effect of BPh3 on Competitive C-C and C-H Bond Activation Reactions in the Interconversion of Allyl Cyanide by [Ni(dippe)]","Journal of the American Chemical Society","2004","126","","3627","3641","10.1021/ja037002e","","","0.71073","MoKα","","0.0428","0.031","","","0.0803","0.0838","","","","","","1.066","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112337","10.954","0.001","20.4329","0.0019","21.847","0.002","90","","90.736","0.002","90","","4889.4","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni(dippe)(allyl)][Ph3BCNBPh3]","","","- C54 H67 B2 N Ni P2 -","- C54 H67 B2 N Ni P2 -","- C216 H268 B8 N4 Ni4 P8 -","4","1","","Nicole M. Brunkan; Donna M. Brestensky; William D. Jones","Kinetics, Thermodynamics, and Effect of BPh3 on Competitive C-C and C-H Bond Activation Reactions in the Interconversion of Allyl Cyanide by [Ni(dippe)]","Journal of the American Chemical Society","2004","126","","3627","3641","10.1021/ja037002e","","","0.71073","MoKα","","0.0885","0.0485","","","0.1135","0.126","","","","","","0.956","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112338","11.334","0.0012","13.3012","0.0014","24.412","0.003","90","","102.045","0.002","90","","3599.2","0.7","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ni(dippe)(cis-crotonitrile-BPh3)","","","- C36 H52 B N Ni P2 -","- C36 H52 B N Ni P2 -","- C144 H208 B4 N4 Ni4 P8 -","4","1","","Nicole M. Brunkan; Donna M. Brestensky; William D. Jones","Kinetics, Thermodynamics, and Effect of BPh3 on Competitive C-C and C-H Bond Activation Reactions in the Interconversion of Allyl Cyanide by [Ni(dippe)]","Journal of the American Chemical Society","2004","126","","3627","3641","10.1021/ja037002e","","","0.71073","MoKα","","0.12","0.0683","","","0.1582","0.1776","","","","","","0.994","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112339","12.3513","0.0005","5.7088","0.0002","15.6453","0.0006","90","","111.935","0.001","90","","1023.31","0.07","250","","250","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0485","0.0421","","","0.1202","0.1263","","","","","","1.084","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112340","12.3207","0.0005","5.691","0.0002","15.5735","0.0006","90","","111.954","0.001","90","","1012.78","0.07","200","","200","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0477","0.0421","","","0.1194","0.1244","","","","","","1.102","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112341","12.2735","0.0006","5.6572","0.0003","15.4399","0.0007","90","","112.04","0.001","90","","993.71","0.08","90","","90","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0421","0.0395","","","0.1035","0.1059","","","","","","1.079","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112342","12.2933","0.0007","5.6612","0.0003","15.4447","0.0009","90","","112.103","0.001","90","","995.88","0.1","90","","90","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.042","0.0393","","","0.1055","0.1081","","","","","","1.098","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112343","12.2763","0.0004","5.6575","0.0002","15.4419","0.0006","90","","112.037","0.001","90","","994.13","0.06","90","","90","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0433","0.04","","","0.108","0.1107","","","","","","1.097","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112344","12.217","0.003","5.7999","0.0013","15.261","0.004","90","","112.447","0.004","90","","999.4","0.4","335","","335","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0552","0.0474","","","0.1373","0.1459","","","","","","1.098","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112345","12.1902","0.0013","5.7856","0.0006","15.2364","0.0016","90","","112.426","0.002","90","","993.32","0.18","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.05","0.0428","","","0.1269","0.1336","","","","","","1.11","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112346","12.1387","0.0006","5.7622","0.0003","15.1592","0.0008","90","","112.458","0.001","90","","979.9","0.09","250","","250","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0446","0.0398","","","0.1104","0.1145","","","","","","1.091","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112347","12.0949","0.0006","5.7366","0.0003","15.0923","0.0008","90","","112.456","0.001","90","","967.76","0.09","200","","200","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0423","0.0389","","","0.1077","0.1105","","","","","","1.085","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112348","12.0635","0.0005","5.7161","0.0003","15.0384","0.0007","90","","112.454","0.001","90","","958.37","0.08","150","","150","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0413","0.0386","","","0.1035","0.1056","","","","","","1.069","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112349","12.0291","0.0007","5.693","0.0003","14.9738","0.0009","90","","112.464","0.001","90","","947.62","0.09","90","","90","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0349","0.0328","","","0.0871","0.0888","","","","","","1.073","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112350","12.0365","0.0009","5.6958","0.0004","14.979","0.0011","90","","112.462","0.001","90","","949.01","0.12","90","","90","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0358","0.0336","","","0.0896","0.0913","","","","","","1.073","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112351","28.661","0.002","28.661","0.002","14.6656","0.0017","90","","90","","120","","10433.1","1.6","194","2","194","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C27 H30 N2 O -","- C27 H30 N2 O -","- C486 H540 N36 O18 -","18","1","","Artis Klapars; Sean Parris; Kevin W. Anderson; Stephen L. Buchwald","Synthesis of Medium Ring Nitrogen Heterocycles via a Tandem Copper-Catalyzed C-N Bond Formation-Ring-Expansion Process","Journal of the American Chemical Society","2004","126","","3529","3533","10.1021/ja038565t","","","0.71073","MoKα","","0.1146","0.0963","","","0.2802","0.2952","","","","","","1.14","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112352","18.5059","0.0007","18.5059","0.0007","9.9168","0.0007","90","","90","","120","","2941.2","0.3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C2 H3 F N4 O1.65 Zn -","- C2 H3 F N4 O1.64933 Zn -","- C36 H54 F18 N72 O29.688 Zn18 -","18","0.5","","Cheng-Yong Su; Andrea M. Goforth; Mark D. Smith; P. J. Pellechia; Hans-Conrad zur Loye","Exceptionally Stable, Hollow Tubular Metal-Organic Architectures: Synthesis, Characterization, and Solid-State Transformation Study","Journal of the American Chemical Society","2004","126","","3576","3586","10.1021/ja039022m","","","0.71073","MoKα","","0.0265","0.0241","","","0.0631","0.0646","","","","","","1.065","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112353","18.5486","0.0007","18.5486","0.0007","9.8538","0.0007","90","","90","","120","","2936","0.3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C2 H3 F N4 O0.86 Zn -","- C2 H3 F N4 O0.854 Zn -","- C36 H54 F18 N72 O15.372 Zn18 -","18","0.5","","Cheng-Yong Su; Andrea M. Goforth; Mark D. Smith; P. J. Pellechia; Hans-Conrad zur Loye","Exceptionally Stable, Hollow Tubular Metal-Organic Architectures: Synthesis, Characterization, and Solid-State Transformation Study","Journal of the American Chemical Society","2004","126","","3576","3586","10.1021/ja039022m","","","0.71073","MoKα","","0.0252","0.0233","","","0.0636","0.0647","","","","","","1.067","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112354","18.5744","0.0007","18.5744","0.0007","9.8413","0.0007","90","","90","","120","","2940.4","0.3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C2 H3 F N4 O0.16 Zn -","- C2 H3 F N4 O0.155333 Zn -","- C36 H54 F18 N72 O2.796 Zn18 -","18","0.5","","Cheng-Yong Su; Andrea M. Goforth; Mark D. Smith; P. J. Pellechia; Hans-Conrad zur Loye","Exceptionally Stable, Hollow Tubular Metal-Organic Architectures: Synthesis, Characterization, and Solid-State Transformation Study","Journal of the American Chemical Society","2004","126","","3576","3586","10.1021/ja039022m","","","0.71073","MoKα","","0.0286","0.027","","","0.0674","0.0683","","","","","","1.072","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112355","8.8308","0.0013","14.646","0.003","12.0651","0.0014","90","","90.954","0.012","90","","1560.2","0.4","294.2","","294.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O -","- C21 H26 O -","- C84 H104 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.098","0.0541","","","0.1504","0.1854","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112356","9.262","0.0005","18.468","0.001","26.192","0.001","90","","90","","90","","4480.2","0.4","173.2","","173.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O -","- C15 H16 O -","- C240 H256 O16 -","16","4","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.7107","MoKα","","0.1001","0.042","","0.1054","","0.1054","","","0.868","","","0.868","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112357","6.5991","0.0007","19.209","0.001","9.996","0.001","90","","108.534","0.004","90","","1201.4","0.19","173.2","","173.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O -","- C16 H18 O -","- C64 H72 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.7107","MoKα","","0.0648","0.035","","0.0944","","0.0944","","","0.919","","","0.919","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112358","6.7952","0.0006","6.7557","0.0008","28.909","0.003","90","","92.94","0.01","90","","1325.4","0.2","294.2","","294.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O -","- C18 H20 O -","- C72 H80 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.0687","0.053","","0.0584","","0.0497","","","1.613","","","1.551","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112359","17.788","0.002","12.827","0.002","12.96","0.001","90","","104.178","0.007","90","","2867","0.6","294.2","","294.2","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O -","- C19 H22 O -","- C152 H176 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.0619","0.0499","","0.074","","0.0686","","","3.826","","","3.927","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112360","10.898","0.004","11.213","0.002","7.218","0.006","99.52","0.03","109.01","0.04","62.27","0.02","738.1","0.7","294.2","","294.2","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O -","- C20 H24 O -","- C40 H48 O2 -","2","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.7107","MoKα","","0.1278","0.0483","","0.0553","","0.0501","","","1.72","","","2.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112361","19.318","0.004","8.282","0.002","10.045","0.001","90","","90","","90","","1607.1","0.5","294.2","","294.2","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H26 O -","- C21 H26 O -","- C84 H104 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.0474","0.0414","","0.0496","","0.0494","","","3.495","","","3.676","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112362","6.8295","0.0002","19.8993","0.0006","9.9692","0.0003","90","","107.06","0.001","90","","1295.22","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 O -","- C17 H20 O -","- C68 H80 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0791","0.0467","","","0.1209","0.1359","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112363","6.1735","0.0003","10.8013","0.0001","11.4558","0.0002","71.66","0.008","83.76","0.01","78.36","0.01","709.34","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0486","0.0405","","","0.1134","0.1171","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112364","7.2743","0.0002","7.596","0.0002","24.9959","0.0006","90","","90.736","0.001","90","","1381.05","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O -","- C18 H22 O -","- C72 H88 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0686","0.0415","","","0.1069","0.1189","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112365","10.0868","0.0003","12.7692","0.0004","22.9818","0.0007","90","","90","","90","","2960.06","0.16","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H24 O -","- C19 H24 O -","- C152 H192 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0735","0.0515","","","0.1471","0.1683","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112366","11.0402","0.0003","10.0777","0.0003","28.1303","0.0007","90","","90","","90","","3129.77","0.15","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H26 O -","- C20 H26 O -","- C160 H208 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0734","0.0487","","","0.129","0.1445","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112367","9.8197","0.0003","10.4119","0.0003","13.0397","0.0003","90","","90","","90","","1333.2","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O -","- C17 H20 O -","- C68 H80 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0824","0.0515","","","0.128","0.1439","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112368","7.957","0.0002","14.1777","0.0004","24.8445","0.0006","90","","90","","90","","2802.76","0.13","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O -","- C18 H22 O -","- C144 H176 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.105","0.0551","","","0.1494","0.1743","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112369","6.5562","0.0005","11.0177","0.0008","21.4829","0.0012","90","","87.323","0.004","90","","1550.11","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0605","0.0468","","","0.1694","0.2055","","","","","","0.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112370","11.3399","0.0008","6.5515","0.0008","22.473","0.001","90","","97.789","0.006","90","","1654.2","0.2","294.2","","294.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 O3 -","- C20 H23.999 O3 -","- C80 H95.996 O12 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.0545","0.0403","","0.1262","","0.1262","","","1.916","","","1.916","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112371","6.2815","0.0004","7.2477","0.0006","18.712","0.0017","79.329","0.009","82.478","0.01","69.225","0.008","780.75","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C38 H48 O6 -","2","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0443","0.0362","","","0.0937","0.0969","","","","","","1.023","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112372","15.1864","0.0011","6.815","0.0005","14.9981","0.001","90","","90.383","0.004","90","","1552.2","0.19","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0623","0.0377","","","0.0867","0.0946","","","","","","0.922","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112373","8.915","0.003","15.248","0.008","23.181","0.005","90","","97.51","0.02","90","","3124","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O -","- C20 H25 O -","- C160 H200 O8 -","8","2","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0889","0.0503","","","0.1387","0.1638","","","","","","1.023","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112374","8.763","0.003","14.06","0.005","11.89","0.002","90","","90.51","0.02","90","","1464.9","0.8","294.2","","294.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O -","- C20 H24 O -","- C80 H96 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.0894","0.0454","","0.0527","","0.0492","","","2.224","","","2.636","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112375","8.3452","0.0002","12.2264","0.0004","16.0386","0.0005","90","","101.115","0.001","90","","1605.75","0.08","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 N4 -","- C20 H12 N4 -","- C80 H48 N16 -","4","1","","Jim-Min Fang; Srinivasan Selvi; Jen-Hai Liao; Zdenek Slanina; Chao-Tsen Chen; Pi-Tai Chou","Fluorescent and Circular Dichroic Detection of Monosaccharides by Molecular Sensors: Bis[(Pyrrolyl)ethynyl]naphthyridine and Bis[(Indolyl)ethynyl]naphthyridine","Journal of the American Chemical Society","2004","126","","3559","3566","10.1021/ja039237w","","","0.71073","MoKα","","0.0759","0.0447","","","0.1371","0.1528","","","","","","1.037","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112376","13.4316","0.0006","25.4173","0.0008","19.5229","0.0012","90","","90","","90","","6665","0.5","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C288 H288 N32 O32 -","16","4","","Jim-Min Fang; Srinivasan Selvi; Jen-Hai Liao; Zdenek Slanina; Chao-Tsen Chen; Pi-Tai Chou","Fluorescent and Circular Dichroic Detection of Monosaccharides by Molecular Sensors: Bis[(Pyrrolyl)ethynyl]naphthyridine and Bis[(Indolyl)ethynyl]naphthyridine","Journal of the American Chemical Society","2004","126","","3559","3566","10.1021/ja039237w","","","0.71073","MoKα","","0.24","0.1005","","","0.207","0.3049","","","","","","1.045","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112377","31.393","0.0004","31.393","0.0004","12.7243","0.0002","90","","90","","120","","10860","0.3","100","0.1","100","","","","","","","","synthesis as described","4","P 6","P 6","168","gramsd","","","- C52 H85 N11 O12 -","- C52 H85 N11 O17.75 -","- C312 H510 N66 O106.5 -","6","1","","Gijsbert M. Grotenbreg; Mattie S. M. Timmer; Antonio L. Llamas-Saiz; Martijn Verdoes; Gijsbert A. van der Marel; Mark J. van Raaij; Herman S. Overkleeft; Mark Overhand","An Unusual Reverse Turn Structure Adopted by a Furanoid Sugar Amino Acid Incorporated in Gramicidin S","Journal of the American Chemical Society","2004","126","","3444","3446","10.1021/ja0397254","","x-ray","1.5418","CuKα","","0.1093","0.0982","","","0.2423","0.259","","","","","","1.072","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112378","8.72","0.0002","16.612","0.0003","13.944","0.0001","90","","102.536","0.001","90","","1971.73","0.06","169.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 Cl P2 W -","- C16 H30 Cl P2 W -","- C64 H120 Cl4 P8 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","","0.0326","","","","0.0371","","","","","","1.411","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112379","15.2193","0.0002","15.9706","0.0002","17.2664","0.0003","90","","96.322","0.001","90","","4171.27","0.11","153.2","","153.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 B F20 P2 W -","- C41 H29 B F20 P2 W -","- C164 H116 B4 F80 P8 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0668","0.0415","","0.05","0.0449","","","","","","","1.393","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112380","27.488","0.0001","15.5223","0.0002","21.3367","0.0003","90","","90","","90","","9103.88","0.18","273.2","","155","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C42 H39 B F20 P2 Si W -","- C43 H37 B F20 P2 Si W -","- C344 H296 B8 F160 P16 Si8 W8 -","8","2","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0363","0.03","","0.0377","0.0366","","","","","","","1.468","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112381","12.822","0.001","14.878","0.001","15.005","0.001","114.902","0.001","110.473","0.001","94.868","0.001","2339.8","0.3","115","1","115","1","","","","","","","","7","P -1","-P 1","2","","","","- C46 H31 B F21 N P2 W -","- C46 H31 B F21 N P2 W -","- C92 H62 B2 F42 N2 P4 W2 -","2","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.71073","MoKα","","0.0626","0.0461","","0.1171","0.1096","","","","1.076","1.118","1.118","","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112382","17.2867","0.0002","9.2357","0.0002","17.8766","0.0004","90","","115.65","0.001","90","","2572.83","0.09","273.2","","142","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H39 Cl P2 Si W -","- C23 H39 Cl P2 Si W -","- C92 H156 Cl4 P8 Si4 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0847","0.0517","","0.0664","0.0599","0.0599","","","","","","1.626","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112383","18.3293","0.0001","17.9586","0.0004","20.499","0.0001","90","","90","","90","","6747.63","0.16","168","","168","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H50 P2 Si W -","- C35 H50 P2 Si W -","- C280 H400 P16 Si8 W8 -","8","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0868","0.0234","","0.0366","0.0222","0.0222","","","","","","0.646","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112384","16.242","0.0004","16.242","0.0003","33.5243","0.0008","90","","90","","90","","8843.8","0.3","161","","273.2","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C40 H31 B Cl2 F20 P2 W -","- C40 H31 B Cl2 F20 P2 W -","- C320 H248 B8 Cl16 F160 P16 W8 -","8","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0728","0.043","","0.0744","0.0498","0.0498","","","","","","1.153","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112385","23.254","0.002","13.8095","0.0015","25.875","0.003","90","","90","","90","","8309.1","1.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Dipp*SnCH2parat-butylbenzyl)2.0.5hexane","","","- C89 H120 Sn2 -","- C88 H121 Sn2 -","- C352 H484 Sn8 -","4","0.5","","Corneliu Stanciu; Anne F. Richards; Philip P. Power","Characterization of Ar'Sn(μ-Br)Sn(Ar')CH2C6H4-4-Pri (Ar' = C6H3-2,6-Dipp2; Dipp = C6H3-2,6-Pri2): A Stable Structural Analogue for a Heavier Group 14 Element Monobridged Alkene Isomer HM(μ-H)MH2 (M = Sn or Pb)","Journal of the American Chemical Society","2004","126","","4106","4107","10.1021/ja0316871","","","0.71073","MoKα","","0.0877","0.0607","","","0.1607","0.1775","","","","","","0.949","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112386","12.7124","0.0011","13.8727","0.0012","19.8044","0.0018","85.282","0.002","84.227","0.002","67.277","0.002","3201.6","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Dipp*SnparaisopropylbenzylμBrSnDipp*.hexane","","","- C73 H94 Br Sn2 -","- C73 H94 Br Sn2 -","- C146 H188 Br2 Sn4 -","2","1","","Corneliu Stanciu; Anne F. Richards; Philip P. Power","Characterization of Ar'Sn(μ-Br)Sn(Ar')CH2C6H4-4-Pri (Ar' = C6H3-2,6-Dipp2; Dipp = C6H3-2,6-Pri2): A Stable Structural Analogue for a Heavier Group 14 Element Monobridged Alkene Isomer HM(μ-H)MH2 (M = Sn or Pb)","Journal of the American Chemical Society","2004","126","","4106","4107","10.1021/ja0316871","","","0.71073","MoKα","","0.0731","0.0386","","","0.0715","0.0776","","","","","","0.945","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112387","15.7","0.0002","9.996","0.0001","23.482","0.0003","90","","106.632","0.0008","90","","3531.02","0.07","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H51 B12 Br N Na O3 -","- C25 H51 B12 Br N Na O3 -","- C100 H204 B48 Br4 N4 Na4 O12 -","4","1","","Zbyněk Janoušek; Uwe Lehmann; Jakub Častulík; Ivana Císařová; Josef Michl","Li±Induced σ-Bond Metathesis: Aryl for Methyl Exchange on Boron in a Methylated Monocarbadodecaborate Anion","Journal of the American Chemical Society","2004","126","","4060","4061","10.1021/ja0387857","","","0.71073","MoKα","","0.0682","0.0524","","","0.1318","0.1413","","","","","","1.043","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112388","8.063","0.003","8.063","0.003","8.51","0.004","90","","90","","120","","479.1","0.3","223","2","223","2","","","","","","","","3","P 3 1 m","P 3 -2","157","","","","- Ag3 Li17 Sn6 -","- Ag3 Li17 Sn6 -","- Ag3 Li17 Sn6 -","1","0.166667","","Corina Lupu; Craig Downie; Arnold M. Guloy; Thomas A. Albright; Jiang-Gao Mao","Li17Ag3Sn6: A Polar Intermetallic π-System with Carbonate-like [AgSn3]11- Anions and Trefoil Aromatic [Ag2Sn3]6- Layers","Journal of the American Chemical Society","2004","126","","4386","4397","10.1021/ja038868n","","","0.71073","MoKα","","0.0508","0.0446","","","0.0977","0.102","","","","","","1.145","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112389","11.098","0.002","11.098","0.002","10.3496","0.0019","90","0.004","90","0.004","120","0.004","1103.9","0.3","298","2","298","2","","","","","","","","3","P -3","-P 3","147","","","","- Al56 Ge3 Mn14 -","- Al56 Ge3 Mn14 -","- Al56 Ge3 Mn14 -","1","0.166667","","Li-Ming Wu; Dong-Kyun Seo","Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented ""Half-Broken"" Mackay Icosahedra as Building Units","Journal of the American Chemical Society","2004","126","","4398","4403","10.1021/ja039154f","","","0.71073","MoKα","","0.0465","0.0431","","","0.0848","0.0865","","","","","","1.072","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112390","11.1018","0.0013","11.1018","0.0013","10.3501","0.0017","90","","90","","120","","1104.7","0.3","298","2","298","2","","","","","","","","3","P -3","-P 3","147","","","","- Al56.31 Ge2.69 Mn14 -","- Al56.33 Ge2.67 Mn14 -","- Al56.33 Ge2.67 Mn14 -","1","0.166667","","Li-Ming Wu; Dong-Kyun Seo","Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented ""Half-Broken"" Mackay Icosahedra as Building Units","Journal of the American Chemical Society","2004","126","","4398","4403","10.1021/ja039154f","","","0.71073","MoKα","","0.0255","0.0234","","","0.0505","0.0514","","","","","","1.036","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112391","11.103","0.002","11.103","0.002","10.3537","0.0019","90","0.004","90","0.004","120","0.004","1105.4","0.3","298","2","298","2","","","","","","","","3","P -3","-P 3","147","","","","- Al56.61 Ge2.39 Mn14 -","- Al56.612 Ge2.388 Mn14 -","- Al56.612 Ge2.388 Mn14 -","1","0.166667","","Li-Ming Wu; Dong-Kyun Seo","Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented ""Half-Broken"" Mackay Icosahedra as Building Units","Journal of the American Chemical Society","2004","126","","4398","4403","10.1021/ja039154f","","","0.71073","MoKα","","0.0454","0.0376","","","0.065","0.0679","","","","","","1.077","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112392","14.517","0.002","9.7011","0.0013","16.816","0.002","90","","99.82","0.002","90","","2333.5","0.5","158","2","158","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 Cl4 N4 O4 S6 -","- C42 H50 Cl4 N4 O4 S6 -","- C84 H100 Cl8 N8 O8 S12 -","2","0.5","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.0529","0.0381","","","0.0981","0.1035","","","","","","1.044","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112393","22.497","0.002","5.3135","0.0005","18.5971","0.0017","90","","111.039","0.001","90","","2074.9","0.3","158","2","158","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N4 S4 -","- C20 H22 N4 S4 -","- C80 H88 N16 S16 -","4","0.5","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.0391","0.0339","","","0.0822","0.0841","","","","","","1.074","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112394","22.664","0.006","5.1881","0.0014","22.754","0.006","90","","113.443","0.004","90","","2454.6","1.1","158","2","158","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 N2 O2 S2 -","- C11 H12 N2 O2 S2 -","- C88 H96 N16 O16 S16 -","8","1","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.0382","0.0294","","","0.0726","0.0771","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112395","11.12","0.006","5.343","0.003","18.816","0.009","90","","97.526","0.008","90","","1108.3","1","158","2","158","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N4 O4 S2 -","- C22 H22 N4 O4 S2 -","- C44 H44 N8 O8 S4 -","2","0.5","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.0551","0.0345","","","0.0823","0.0894","","","","","","1.031","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112396","16.161","0.0001","4.9769","0.0001","15.2177","0.0002","90","","100.91","0.001","90","","1201.86","0.03","158","2","158","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 S2 -","- C26 H42 S2 -","- C52 H84 S4 -","2","0.5","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.0317","0.0288","","","0.0806","0.0826","","","","","","1.076","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112397","13.7879","0.0011","5.19","0.0004","22.585","0.002","90","","100.926","0.002","90","","1586.9","0.2","158","2","158","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N4 S4 -","- C32 H38 N4 S4 -","- C64 H76 N8 S8 -","2","0.5","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.1252","0.0588","","0.1134","0.0939","","","","1.008","1.163","1.163","","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112398","10.288","0.002","15.757","0.003","20.811","0.004","90","","90","0.004","90","","3373.6","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bromoiron(III)2-aza-21-carba-5,10,15,20-tetraphenylporphyrin","","- C44 H28 Br Fe N4 -","- C44 H28 Br Fe N4 -","- C176 H112 Br4 Fe4 N16 -","4","1","","Krystyna Rachlewicz; Sian-Ling Wang; Jia-Ling Ko; Chen-Hsiung Hung; Lechosław Latos-Grażyński","Oxidation and Oxygenation of Iron Complexes of 2-Aza-21-carbaporphyrin","Journal of the American Chemical Society","2004","126","","4420","4431","10.1021/ja039792y","","","0.71073","MoKα","","0.2401","0.0449","","","0.091","0.1586","","","","","","0.583","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112399","33.229","0.004","13.2249","0.0015","18.102","0.002","90","","94.06","0.002","90","","7935","1.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bromoiron(III) 2-aza-21-carba-21-oxo-5,10,15,20-tetraphenylporphyrin toluene solvate","","- C51 H36 Br Fe N4 O -","- C51 H28 Br Fe N4 O -","- C408 H224 Br8 Fe8 N32 O8 -","8","1","","Krystyna Rachlewicz; Sian-Ling Wang; Jia-Ling Ko; Chen-Hsiung Hung; Lechosław Latos-Grażyński","Oxidation and Oxygenation of Iron Complexes of 2-Aza-21-carbaporphyrin","Journal of the American Chemical Society","2004","126","","4420","4431","10.1021/ja039792y","","","0.71073","MoKα","","0.1616","0.051","","","0.1043","0.1606","","","","","","1.034","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112400","7.7451","0.0005","10.4763","0.0006","15.3434","0.0006","90","","90","","90","","1244.96","0.12","298","2","298","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Sape S. Kinderman; René de Gelder; Jan H. van Maarseveen; Hans E. Schoemaker; Henk Hiemstra; Floris P. J. T. Rutjes","Amidopalladation of Alkoxyallenes Applied in the Synthesis of an Enantiopure 1-Ethylquinolizidine Frog Alkaloid","Journal of the American Chemical Society","2004","126","","4100","4101","10.1021/ja039919j","","","0.71073","MoKα","","0.0834","0.0442","","0.0813","0.073","0.0813","","","1.058","","","1.058","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112401","13.1593","0.0003","13.2888","0.0006","6.9813","0.0006","90","","100.367","0.003","90","","1200.9","0.12","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Cheol-Kyu Jung; Jian-Cheng Wang; Michael J. Krische","Phosphine-Mediated Reductive Condensation of γ-Acyloxy Butynoates: A Diversity Oriented Strategy for the Construction of Substituted Furans","Journal of the American Chemical Society","2004","126","","4118","4119","10.1021/ja049377l","","","0.71073","MoKα","","0.2318","0.1881","","","0.1504","0.1552","","","","","","2.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112402","13.33","0.002","7.2301","0.0013","11.752","0.002","90","","90","","90","","1132.6","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","","Yuhei Yamamoto; Hisashi Yamamoto","Catalytic, Highly Enantio, and Diastereoselective Nitroso Diels-Alder Reaction","Journal of the American Chemical Society","2004","126","","4128","4129","10.1021/ja049849w","","","0.71073","MoKα","","0.0311","0.0307","","","0.0828","0.0835","","","","","","0.969","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112403","8.5846","0.0018","9.831","0.002","17.87","0.004","86.769","0.004","84.258","0.004","74.577","0.004","1445.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","2","","Yuhei Yamamoto; Hisashi Yamamoto","Catalytic, Highly Enantio, and Diastereoselective Nitroso Diels-Alder Reaction","Journal of the American Chemical Society","2004","126","","4128","4129","10.1021/ja049849w","","","0.71073","MoKα","","0.0623","0.0561","","","0.1134","0.116","","","","","","1.23","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112404","7.5035","0.0015","8.0281","0.0016","16.113","0.003","90","","93.876","0.004","90","","968.4","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Br N4 O6 -","- C19 H17 Br N4 O6 -","- C38 H34 Br2 N8 O12 -","2","1","","Yuhei Yamamoto; Hisashi Yamamoto","Catalytic, Highly Enantio, and Diastereoselective Nitroso Diels-Alder Reaction","Journal of the American Chemical Society","2004","126","","4128","4129","10.1021/ja049849w","","","0.71073","MoKα","","0.0362","0.0331","","","0.0719","0.0728","","","","","","0.958","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112405","15.611","0.0008","9.5413","0.0004","10.5184","0.0004","90","","90","","90","","1566.71","0.12","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Hye-Young Jang; Ryan R. Huddleston; Michael J. Krische","Hydrogen-Mediated C-C Bond Formation: Catalytic Regio- and Stereoselective Reductive Condensation of α-Keto Aldehydes and 1,3-Enynes","Journal of the American Chemical Society","2004","126","","4664","4668","10.1021/ja0316566","","","0.71073","MoKα","","0.1551","0.0497","","","0.0805","0.1034","","","","","","0.993","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112406","25.145","0.003","17.77","0.003","16.346","0.003","90","","97.789","0.003","90","","7236","2","100","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Zirconium","Zirconium Disilyl triamdie and Zirconium pentaamide dilithium tetra THF","","- C64 H118 Li2 N8 O4 Si2 Zr2 -","- C64 H118 Li2 N8 O4 Si2 Zr2 -","- C256 H472 Li8 N32 O16 Si8 Zr8 -","4","0.5","","Xianghua Yu; Hu Cai; Ilia A. Guzei; Ziling Xue","Unusual Equilibria Involving Group 4 Amides, Silyl Complexes, and Silyl Anions via Ligand Exchange Reactions","Journal of the American Chemical Society","2004","126","","4472","4473","10.1021/ja031899y","","","0.71073","MoKα","","0.0567","0.0396","","","0.103","0.1169","","","","","","1.041","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112407","16.4939","0.001","19.6187","0.0012","16.9722","0.001","90","","112.471","0.001","90","","5075","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H21 Al F28 Zr -","- C58 H21 Al F28 Zr -","- C232 H84 Al4 F112 Zr4 -","4","1","","Ming-Chou Chen; John A. S. Roberts; Tobin J. Marks","Marked Counteranion Effects on Single-Site Olefin Polymerization Processes. Correlations of Ion Pair Structure and Dynamics with Polymerization Activity, Chain Transfer, and Syndioselectivity","Journal of the American Chemical Society","2004","126","","4605","4625","10.1021/ja036288k","","","0.71073","MoKα","","0.0818","0.0503","","","0.1206","0.1374","","","","","","0.981","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112408","13.5302","0.0018","26.815","0.004","12.4684","0.0016","90","","116.673","0.002","90","","4042.3","1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 B F15 Zr -","- C48 H32 B F15 Zr -","- C192 H128 B4 F60 Zr4 -","4","1","","Ming-Chou Chen; John A. S. Roberts; Tobin J. Marks","Marked Counteranion Effects on Single-Site Olefin Polymerization Processes. Correlations of Ion Pair Structure and Dynamics with Polymerization Activity, Chain Transfer, and Syndioselectivity","Journal of the American Chemical Society","2004","126","","4605","4625","10.1021/ja036288k","","","0.71073","MoKα","","0.1542","0.0548","","","0.1079","0.1344","","","","","","0.88","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112409","29.782","0.002","14.5982","0.0012","20.4603","0.0016","90","","90.156","0.001","90","","8895.4","1.2","193","2","193","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C30 H61 Cl2 N11 O14 Pt S -","- C30 H46 Cl2 N11 O14 Pt S -","- C240 H368 Cl16 N88 O112 Pt8 S8 -","8","2","","Hemanta Baruah; Cynthia S. Day; Marcus W. Wright; Ulrich Bierbach","Metal-Intercalator-Mediated Self-Association and One-Dimensional Aggregation in the Structure of the Excised Major DNA Adduct of a Platinum-Acridine Agent","Journal of the American Chemical Society","2004","126","","4492","4493","10.1021/ja038592j","","x-ray","0.71073","MoKα","","0.0563","0.0414","","","0.0918","0.0966","","","","","","1.002","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112410","12.3457","0.0001","12.7898","0.0001","35.4098","0.0002","81.265","0.006","82.568","0.006","59.937","0.008","4773.6","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Chlorocadmium(II) 6,11,16,21-Tetraphenyl-m-benziporphyrin chloroform 1.5 solvate, dodecane 0.25 solvate","","- C52.5 H35 Cd Cl5.5 N3 -","- C53.55 H35.5105 Cd Cl6.137 N3 -","- C214.2 H142.042 Cd4 Cl24.548 N12 -","4","2","","Marcin Stępień; Lechosław Latos-Grażyński; Ludmiła Szterenberg; Jarosław Panek; Zdzisław Latajka","Cadmium(II) and Nickel(II) Complexes of Benziporphyrins. A Study of Weak Intramolecular Metal-Arene Interactions","Journal of the American Chemical Society","2004","126","","4566","4580","10.1021/ja039384u","","","0.71073","MoKα","","0.1241","0.0676","","","0.1514","0.1715","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112411","10.2718","0.0007","12.3465","0.001","20.0001","0.0013","107.586","0.007","96.073","0.006","101.455","0.007","2332.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Chloronickel(II) 6,11,16,21-tetraphenyl-m-benziporphyrin chloroform trisolvate","","- C49 H33 Cl10 N3 Ni -","- C49 H33 Cl10 N3 Ni -","- C98 H66 Cl20 N6 Ni2 -","2","1","","Marcin Stępień; Lechosław Latos-Grażyński; Ludmiła Szterenberg; Jarosław Panek; Zdzisław Latajka","Cadmium(II) and Nickel(II) Complexes of Benziporphyrins. A Study of Weak Intramolecular Metal-Arene Interactions","Journal of the American Chemical Society","2004","126","","4566","4580","10.1021/ja039384u","","","0.71073","MoKα","","0.0931","0.0538","","","0.1057","0.1212","","","","","","1.032","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112412","8.858","0.001","13.782","0.001","18.2964","0.001","68.408","0.006","85.394","0.005","75.773","0.005","2013.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Chloronickel(II) 5,10,15,20-Tetraphenyl-p-benziporphyrin dichloromethane disolvate","","- C48 H34 Cl5 N3 Ni -","- C48 H34 Cl5.034 N3 Ni -","- C96 H68 Cl10.068 N6 Ni2 -","2","1","","Marcin Stępień; Lechosław Latos-Grażyński; Ludmiła Szterenberg; Jarosław Panek; Zdzisław Latajka","Cadmium(II) and Nickel(II) Complexes of Benziporphyrins. A Study of Weak Intramolecular Metal-Arene Interactions","Journal of the American Chemical Society","2004","126","","4566","4580","10.1021/ja039384u","","","0.71073","MoKα","","0.1051","0.0676","","","0.176","0.1948","","","","","","1.13","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112413","15.8965","0.0008","15.8965","0.0008","6.8206","0.0005","90","","90","","90","","1723.56","0.18","293","2","173","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ge3 Sb5 Yb8 -","- Ge3 Sb5 Yb8 -","- Ge12 Sb20 Yb32 -","4","0.125","","James R. Salvador; Daniel Bilc; S. D. Mahanti; Tim Hogan; Fu Guo; Mercouri G. Kanatzidis","Yb8Ge3Sb5, a Metallic Mixed-Valent Zintl Phase Containing the Polymeric 1\ιnfty[Ge34-] Anions","Journal of the American Chemical Society","2004","126","","4474","4475","10.1021/ja0395487","","","0.71073","MoKα","","0.0308","0.0276","","","0.064","0.065","","","","","","1.264","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112414","10.5805","0.0007","12.4401","0.0008","18.6906","0.0012","90","","90","","90","","2460.1","0.3","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 Cl8 N2 Pd -","- C17 H28 Cl8 N2 Pd -","- C68 H112 Cl32 N8 Pd4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.0436","0.0332","","","0.0526","0.0538","","","","","","1.367","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4112415","10.3598","0.0002","22.2422","0.0003","10.8117","0.0002","90","","104.302","0.001","90","","2414.07","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H31 Cl F6 N3 Pd Sb -","- C20 H31 Cl F6 N3 Pd Sb -","- C80 H124 Cl4 F24 N12 Pd4 Sb4 -","4","2","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.0709","0.0503","","","0.0842","0.0864","","","","","","1.664","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112416","12.3773","0.0002","13.1425","0.0002","18.706","0.0003","90","","90","","90","","3042.88","0.08","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Cl F6 N3 Pd Sb -","- C29 H41 Cl F6 N3 Pd Sb -","- C116 H164 Cl4 F24 N12 Pd4 Sb4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.045","0.0313","","","0.0489","0.0507","","","","","","1.165","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112417","14.8633","0.0003","13.4427","0.0003","15.0189","0.0003","90","","98.541","0.001","90","","2967.54","0.11","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H36 Cl5 F3 N2 O Pd -","- C25 H36 Cl5 F3 N2 O Pd -","- C100 H144 Cl20 F12 N8 O4 Pd4 -","4","2","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.0826","0.0401","","","0.0608","0.0669","","","","","","0.987","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112418","9.2815","0.0003","11.4873","0.0004","15.1073","0.0005","90","","90","","90","","1610.73","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Cl2 N2 Pd -","- C15 H26 Cl2 N2 Pd -","- C60 H104 Cl8 N8 Pd4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.0452","0.0317","","","0.0525","0.0542","","","","","","1.139","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112419","23.56","0.005","13.386","0.003","15.539","0.003","90","","124.76","0.03","90","","4026","2","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tetrabutylammonium superoxide ammoniate","Tetrabutylammonium hyperoxide ammoniate","","- C16 H43.5 N3.5 O2 -","- C16 H43.5 N3.5 O2 -","- C128 H348 N28 O16 -","8","1","","Pascal D. C. Dietzel; Reinhard K. Kremer; Martin Jansen","Tetraorganylammonium Superoxide Compounds: Close to Unperturbed Superoxide Ions in the Solid State","Journal of the American Chemical Society","2004","126","","4689","4696","10.1021/ja039880i","","","0.56085","AgKα","","0.0786","0.0576","","","0.1293","0.1413","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112420","7.0496","0.0011","9.9887","0.0014","12.55","0.002","90","","90","","90","","883.7","0.2","123","2","123","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Trimethylphenylammonium hyperoxide","","- C9 H14 N O2 -","- C9 H14 N O2 -","- C36 H56 N4 O8 -","4","1","","Pascal D. C. Dietzel; Reinhard K. Kremer; Martin Jansen","Tetraorganylammonium Superoxide Compounds: Close to Unperturbed Superoxide Ions in the Solid State","Journal of the American Chemical Society","2004","126","","4689","4696","10.1021/ja039880i","","","0.71073","MoKα","","0.0633","0.0439","","","0.1057","0.1178","","","","","","1.051","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112421","12.9","0.002","10.3505","0.0017","20.172","0.003","90","","97.446","0.002","90","","2670.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","pentaerythritol-tetrakis(2,3,5,6-tetrafluoro-4iodophenyl)ether. trans-1,2-(4-pyridyl)ethylene","","- C53 H28 F16 I4 N4 O4 -","- C53 H28 F16 I4 N4 O4 -","- C106 H56 F32 I8 N8 O8 -","2","0.5","","Tullio Caronna; Rosalba Liantonio; Thomas A. Logothetis; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati","Halogen Bonding and π...π Stacking Control Reactivity in the Solid State","Journal of the American Chemical Society","2004","126","","4500","4501","10.1021/ja039884n","","","0.71073","MoKα","","0.0432","0.0332","","","0.1051","0.1104","","","","","","1.037","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112422","22.805","0.005","15.455","0.003","15.417","0.003","90","","129.68","0.03","90","","4182","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","pentaerythritol-tetrakis(2,3,5,6-tetrafluoro-4iodophenyl)ether. 1,2-diaminoethane","","- C33 H24 F16 I4 N4 O4 -","- C33 H16 F16 I4 N4 O4 -","- C132 H64 F64 I16 N16 O16 -","4","0.5","","Tullio Caronna; Rosalba Liantonio; Thomas A. Logothetis; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati","Halogen Bonding and π...π Stacking Control Reactivity in the Solid State","Journal of the American Chemical Society","2004","126","","4500","4501","10.1021/ja039884n","","","0.71073","MoKα","","0.0571","0.0423","","","0.1168","0.127","","","","","","1.076","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112423","13.8476","0.0009","14.5772","0.0009","20.3589","0.0013","90","","90","","90","","4109.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H48 B Fe P3 -","- C51 H48 B Fe P3 -","- C204 H192 B4 Fe4 P12 -","4","1","","Steven D. Brown; Jonas C. Peters","Hydrogenolysis of [PhBP3]Fe\τbN-p-tolyl: Probing the Reactivity of an Iron Imide with H2","Journal of the American Chemical Society","2004","126","","4538","4539","10.1021/ja0399122","","","0.71073","MoKα","","0.0937","0.0478","","","0.0629","0.0688","","","","","","1.13","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112424","10.0087","0.0009","14.834","0.0013","15.285","0.0013","80.11","0.002","77.925","0.002","87.176","0.002","2186","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H49 B Fe N P3 -","- C52 H49 B Fe N P3 -","- C104 H98 B2 Fe2 N2 P6 -","2","1","","Steven D. Brown; Jonas C. Peters","Hydrogenolysis of [PhBP3]Fe\τbN-p-tolyl: Probing the Reactivity of an Iron Imide with H2","Journal of the American Chemical Society","2004","126","","4538","4539","10.1021/ja0399122","","","0.71073","MoKα","","0.0776","0.0489","","","0.0813","0.0846","","","","","","1.956","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112425","9.1867","0.0004","13.3083","0.0006","13.6383","0.0007","87.887","0.001","78.346","0.001","77.745","0.001","1595.79","0.13","193","2","193","2","","","","","","","","5","P -1","-P 1","2","holjv21","bis(diketiminate)mu-sulfidodiiron(ii)","","- C58 H82 Fe2 N4 S -","- C58 H82 Fe2 N4 S -","- C58 H82 Fe2 N4 S -","1","0.5","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0828","0.075","","","0.2165","0.2233","","","","","","1.067","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112426","8.926","0.0006","13.2286","0.0009","13.8214","0.001","87.708","0.001","80.563","0.001","78.737","0.001","1578.86","0.19","193","2","193","2","","","","","","","","5","P 1","P 1","1","1(MeCN)","","","- C60 H85 Fe2 N5 S -","- C60 H85 Fe2 N5 S -","- C60 H85 Fe2 N5 S -","1","1","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0837","0.0668","","","0.1799","0.2005","","","","","","1.082","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112427","14.7025","0.0013","16.3018","0.0014","25.56","0.002","90","","90","","90","","6126.1","0.9","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1(H2NNHMe)2","","","- C60 H94 Fe2 N8 S -","- C60 H94 Fe2 N8 S -","- C240 H376 Fe8 N32 S4 -","4","1","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0613","0.0478","","","0.0944","0.0994","","","","","","1.111","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112428","18.143","0.003","14.296","0.002","24.361","0.004","90","","92.63","0.003","90","","6311.9","1.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1(H2NNMe2)2","","","- C62 H98 Fe2 N8 S -","- C62 H98 Fe2 N8 S -","- C248 H392 Fe8 N32 S4 -","4","1","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0748","0.0508","","","0.1111","0.1201","","","","","","1.061","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112429","19.4","0.003","15.347","0.002","22.89","0.003","90","","93.836","0.002","90","","6799.8","1.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1(NH3)2","","","- C68 H112 Fe2 N6 S -","- C68 H112 Fe2 N6 S -","- C272 H448 Fe8 N24 S4 -","4","0.5","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0657","0.0526","","","0.1455","0.1556","","","","","","1.033","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112430","14.4629","0.0014","36.477","0.004","14.7829","0.0015","90","","112.165","0.002","90","","7222.6","1.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2","","","- C72 H109 Fe2 N6 O2 S -","- C72 H109 Fe2 N6 O2 S -","- C288 H436 Fe8 N24 O8 S4 -","4","1","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.1679","0.0825","","","0.1838","0.219","","","","","","1.028","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112431","15.7269","0.0002","15.763","0.0002","38.0222","0.0005","90","","90","","90","","9425.8","0.2","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H62 Cl18 Cu4 N24 O -","- C72 H62 Cl18 Cu4 N24 O -","- C288 H248 Cl72 Cu16 N96 O4 -","4","1","","Serhiy Demeshko; Sebastian Dechert; Franc Meyer","Anion-π Interactions in a Carousel Copper(II)-Triazine Complex","Journal of the American Chemical Society","2004","126","","4508","4509","10.1021/ja049458h","","","0.71073","MoKα","","0.0566","0.0509","","","0.1241","0.1267","","","","","","1.081","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112432","8.5003","0.0006","14.3615","0.001","17.5727","0.0013","90","","90","","90","","2145.2","0.3","123","2","123","2","","","","","","","chemical synthesis","5","P n m a","-P 2ac 2n","62","","Potassium 18-crown-6 nitrobenzenide","","- C18 H29 K N O8 -","- C18 H29 K N O8 -","- C72 H116 K4 N4 O32 -","4","0.5","","Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi","Crystallographic Distinction between ""Contact"" and ""Separated"" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides","Journal of the American Chemical Society","2004","126","","4557","4565","10.1021/ja049856k","","","0.71073","MoKα","","0.0659","0.048","","0.1494","0.1222","","","","1.064","1.081","1.081","","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112433","10.6","0.0005","7.6557","0.0004","26.779","0.0012","90","","97.338","0.001","90","","2155.33","0.18","123","2","123","2","","","","","","","chemical synthesis","5","P 1 21/n 1","-P 2yn","14","","Rubidium 18-crown-6 nitrobenzenide","","- C18 H29 N O8 Rb -","- C18 H29 N O8 Rb -","- C72 H116 N4 O32 Rb4 -","4","1","","Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi","Crystallographic Distinction between ""Contact"" and ""Separated"" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides","Journal of the American Chemical Society","2004","126","","4557","4565","10.1021/ja049856k","","","0.71073","MoKα","","0.054","0.0355","","0.0943","0.0801","","","","1.027","1.067","1.067","","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112434","26.22","0.002","8.3768","0.0005","22.3046","0.0013","90","","108.334","0.001","90","","4650.3","0.5","123","2","123","2","","","","","","","chemical synthesis","5","C 1 2/c 1","-C 2yc","15","","Bis(cesium 18-crown-6 nitrobenzenide)","","- C18 H29 Cs N O8 -","- C18 H29 Cs N O8 -","- C144 H232 Cs8 N8 O64 -","8","1","","Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi","Crystallographic Distinction between ""Contact"" and ""Separated"" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides","Journal of the American Chemical Society","2004","126","","4557","4565","10.1021/ja049856k","","","0.71073","MoKα","","0.108","0.0518","","0.1372","0.1085","","","","1.006","1.087","1.087","","","","","has coordinates","270822","2021-11-23","08:35:57",""
"4112435","8.5177","0.0005","12.4319","0.0007","26.1918","0.0014","99.078","0.001","93.002","0.001","102.619","0.001","2661.7","0.3","123","2","123","2","","","","","","","chemical synthesis","5","P -1","-P 1","2","","Bis(cesium 18-crown-6 nitrobenzenide) tetrahydrofurane disolvate","","- C44 H74 Cs2 N2 O18 -","- C44 H74 Cs2 N2 O18 -","- C88 H148 Cs4 N4 O36 -","2","1","","Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi","Crystallographic Distinction between ""Contact"" and ""Separated"" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides","Journal of the American Chemical Society","2004","126","","4557","4565","10.1021/ja049856k","","","0.71073","MoKα","","0.055","0.0399","","0.1053","0.096","","","","1.026","1.077","1.077","","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112436","15.7997","0.0008","10.113","0.0005","17.4795","0.0009","90","","98.022","0.001","90","","2765.6","0.2","123","2","123","2","","","","","","","chemical synthesis","5","P 1 2/n 1","-P 2yac","13","","Potassium [2.2.2]cryptand nitrobenzenide","","- C24 H41 K N3 O8 -","- C24 H41 K N3 O8 -","- C96 H164 K4 N12 O32 -","4","1","","Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi","Crystallographic Distinction between ""Contact"" and ""Separated"" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides","Journal of the American Chemical Society","2004","126","","4557","4565","10.1021/ja049856k","","","0.71073","MoKα","","0.0435","0.0389","","0.1129","0.1042","","","","1.025","1.046","1.046","","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112437","13.083","0.0007","13.318","0.0004","22.207","0.001","89.659","0.003","88.87","0.002","61.283","0.003","3392.7","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","Bis[bis(tetrahydrofuran)potassium(I)] tetrakis(di-tert-butylmethylsilyl)- tetrasilacyclobutadiene dianion","","- C52 H116 K2 O4 Si8 -","- C52 H116 K2 O4 Si8 -","- C104 H232 K4 O8 Si16 -","2","1","","Vladimir Ya. Lee; Kazunori Takanashi; Tadahiro Matsuno; Masaaki Ichinohe; Akira Sekiguchi","Cyclobutadiene Dianions Consisting of Heavier Group 14 Elements: Synthesis and Characterization","Journal of the American Chemical Society","2004","126","","4758","4759","10.1021/ja030662z","","","0.7107","MoKα","","0.0607","0.0532","","","0.1472","0.1535","","","","","","1.018","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112438","21.52","0.02","11.188","0.011","13.016","0.012","90","","98.308","0.017","90","","3101","5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 O4 Zr -","- C34 H42 O4 Zr -","- C136 H168 O16 Zr4 -","4","0.5","","Andrew D. Bolig; Eugene Y.-X. Chen","ansa-Zirconocene Ester Enolates: Synthesis, Structure, Reaction with Organo-Lewis Acids, and Application to Polymerization of Methacrylates","Journal of the American Chemical Society","2004","126","","4897","4906","10.1021/ja031558k","","","0.71073","MoKα","","0.0857","0.0721","","","0.1659","0.1741","","","","","","1.133","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112439","27.806","0.004","17.103","0.002","20.876","0.003","90","","122.463","0.003","90","","8377","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H40 Al F15 O2 Zr -","- C48 H26 Al F15 O2 Zr -","- C384 H208 Al8 F120 O16 Zr8 -","8","1","","Andrew D. Bolig; Eugene Y.-X. Chen","ansa-Zirconocene Ester Enolates: Synthesis, Structure, Reaction with Organo-Lewis Acids, and Application to Polymerization of Methacrylates","Journal of the American Chemical Society","2004","126","","4897","4906","10.1021/ja031558k","","","0.71073","MoKα","","0.0848","0.0482","","","0.1112","0.129","","","","","","1.014","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112440","11.888","0.002","11.705","0.002","14.454","0.003","90","","108.38","0.03","90","","1908.7","0.7","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 Pt -","- C24 H16 N2 Pt -","- C96 H64 N8 Pt4 -","4","1","","Wei Lu; Bao-Xiu Mi; Michael C. W. Chan; Zheng Hui; Chi-Ming Che; Nianyong Zhu; Shuit-Tong Lee","Light-Emitting Tridentate Cyclometalated Platinum(II) Complexes Containing σ-Alkynyl Auxiliaries: Tuning of Photo- and Electrophosphorescence","Journal of the American Chemical Society","2004","126","","4958","4971","10.1021/ja0317776","","","0.71073","MoKα","","0.0348","0.0296","","","0.0758","0.0781","","","","","","1.068","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112441","11.088","0.002","9.964","0.002","17.186","0.003","90","","92.09","0.03","90","","1897.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H11 F5 N2 Pt -","- C24 H11 F5 N2 Pt -","- C96 H44 F20 N8 Pt4 -","4","1","","Wei Lu; Bao-Xiu Mi; Michael C. W. Chan; Zheng Hui; Chi-Ming Che; Nianyong Zhu; Shuit-Tong Lee","Light-Emitting Tridentate Cyclometalated Platinum(II) Complexes Containing σ-Alkynyl Auxiliaries: Tuning of Photo- and Electrophosphorescence","Journal of the American Chemical Society","2004","126","","4958","4971","10.1021/ja0317776","","","0.71069","MoKα","","0.0725","0.0682","","","0.1624","0.165","","","","","","1.055","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112442","11.903","0.002","12.626","0.002","13.205","0.002","90","","101.08","0.02","90","","1947.6","0.6","301.2","","301.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 Pt Si -","- C21 H20 N2 Pt Si -","- C84 H80 N8 Pt4 Si4 -","4","1","","Wei Lu; Bao-Xiu Mi; Michael C. W. Chan; Zheng Hui; Chi-Ming Che; Nianyong Zhu; Shuit-Tong Lee","Light-Emitting Tridentate Cyclometalated Platinum(II) Complexes Containing σ-Alkynyl Auxiliaries: Tuning of Photo- and Electrophosphorescence","Journal of the American Chemical Society","2004","126","","4958","4971","10.1021/ja0317776","","","0.7107","MoKalpha","","","0.0449","","","0.0622","","","","","1.466","1.466","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112443","14.684","0.003","11.146","0.002","12.828","0.003","90","","98.74","0.03","90","","2075.2","0.8","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 Pt Si -","- C23 H20 N2 Pt Si -","- C92 H80 N8 Pt4 Si4 -","4","1","","Wei Lu; Bao-Xiu Mi; Michael C. W. Chan; Zheng Hui; Chi-Ming Che; Nianyong Zhu; Shuit-Tong Lee","Light-Emitting Tridentate Cyclometalated Platinum(II) Complexes Containing σ-Alkynyl Auxiliaries: Tuning of Photo- and Electrophosphorescence","Journal of the American Chemical Society","2004","126","","4958","4971","10.1021/ja0317776","","","0.71073","MoKα","","0.0554","0.0384","","","0.0943","0.0992","","","","","","0.932","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112444","15.404","0.003","12.178","0.002","12.178","0.002","90","","97.34","0.03","90","","2265.7","0.7","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 Pt Si -","- C25 H20 N2 Pt Si -","- C100 H80 N8 Pt4 Si4 -","4","1","","Wei Lu; Bao-Xiu Mi; Michael C. W. Chan; Zheng Hui; Chi-Ming Che; Nianyong Zhu; Shuit-Tong Lee","Light-Emitting Tridentate Cyclometalated Platinum(II) Complexes Containing σ-Alkynyl Auxiliaries: Tuning of Photo- and Electrophosphorescence","Journal of the American Chemical Society","2004","126","","4958","4971","10.1021/ja0317776","","","0.71073","MoKα","","0.0717","0.041","","","0.0953","0.1109","","","","","","1.006","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112445","13.148","0.003","13.946","0.003","15.706","0.003","87.86","0.03","66.68","0.03","81.96","0.03","2618.1","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Cu2L5(CN)](ClO4)3.2CH3CN.4H2O","","","- C41 H68 Cl3 Cu2 N11 O16 -","- C41 H51 Cl3 Cu2 N11 O16 -","- C82 H102 Cl6 Cu4 N22 O32 -","2","1","","Tongbu Lu; Xiaomei Zhuang; Yanwu Li; Shi Chen","C-C Bond Cleavage of Acetonitrile by a Dinuclear Copper(II) Cryptate","Journal of the American Chemical Society","2004","126","","4760","4761","10.1021/ja031874z","","","0.71073","MoKα","","0.0849","0.0526","","","0.1327","0.1427","","","","","","1.081","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112446","27.388","0.007","48.097","0.013","7.307","0.002","90","","90","","90","","9625","4","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","[Me2NN]Co(toluene)","","","- C28 H33 Co N2 -","- C28 H33 Co N2 -","- C448 H528 Co16 N32 -","16","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.0997","0.0498","","","0.0684","0.0766","","","","","","0.872","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112447","20.74","0.03","8.495","0.013","23.318","0.017","90","","108.55","0.06","90","","3895","9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[Me2NN]Co}2(m-O)2","","","- C21 H25 Co N2 O -","- C21 H25 Co N2 O -","- C168 H200 Co8 N16 O8 -","8","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.098","0.0537","","","0.1257","0.1416","","","","","","1.022","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112448","11.081","0.003","11.487","0.003","11.586","0.003","99.587","0.004","103.088","0.004","111.907","0.004","1280.3","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","{[Me2NN]Co}2(m-NAr)2","","","- C29 H34 Co N3 -","- C29 H34 Co N3 -","- C58 H68 Co2 N6 -","2","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.1172","0.0577","","","0.1326","0.1459","","","","","","0.874","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112449","7.2103","0.0014","18.185","0.004","20.516","0.004","90","","90","","90","","2690","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","{Me2NN]Co=NAd","","","- C31 H40 Co N3 -","- C31 H40 Co N3 -","- C124 H160 Co4 N12 -","4","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.129","0.0494","","","0.074","0.0874","","","","","","0.821","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112450","10.78","0.0015","21.782","0.003","19.294","0.003","90","","90.198","0.005","90","","4530.4","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{Me2NN]Co}2(m-O)(m-NAr)","","","- C50 H59 Co2 N5 O -","- C50 H59 Co2 N5 O -","- C200 H236 Co8 N20 O4 -","4","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.0835","0.0462","","","0.115","0.1266","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112451","13.038","0.001","16.812","0.001","22.199","0.002","90","","90","","90","","4865.9","0.6","200","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H19 Cl2 F20 I O2 P2 Ru -","- C50 H19 Cl2 F20 I O2 P2 Ru -","- C200 H76 Cl8 F80 I4 O8 P8 Ru4 -","4","1","","Valérie Alezra; Gérald Bernardinelli; Clémence Corminboeuf; Urban Frey; E. Peter Kündig; André E. Merbach; Christophe M. Saudan; Florian Viton; Jacques Weber","[CpRu((R)-Binop-F)(H2O)][SbF6], a New Fluxional Chiral Lewis Acid Catalyst: Synthesis, Dynamic NMR, Asymmetric Catalysis, and Theoretical Studies","Journal of the American Chemical Society","2004","126","","4843","4853","10.1021/ja0374123","","","1.5418","CuKα","","","0.043","","","","0.042","","","","","","1.81","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112452","13.4024","0.0007","19.3137","0.001","24.1839","0.0015","90","","90","","90","","6260","0.6","200","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C56 H33 F26 O4 P2 Ru Sb -","- C56 H33 F26 O4 P2 Ru Sb -","- C224 H132 F104 O16 P8 Ru4 Sb4 -","4","1","","Valérie Alezra; Gérald Bernardinelli; Clémence Corminboeuf; Urban Frey; E. Peter Kündig; André E. Merbach; Christophe M. Saudan; Florian Viton; Jacques Weber","[CpRu((R)-Binop-F)(H2O)][SbF6], a New Fluxional Chiral Lewis Acid Catalyst: Synthesis, Dynamic NMR, Asymmetric Catalysis, and Theoretical Studies","Journal of the American Chemical Society","2004","126","","4843","4853","10.1021/ja0374123","","","0.71073","MoKα","","","0.042","","","","0.047","","","","","","1.62","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112453","20.065","0.011","5.741","0.003","7.394","0.004","90","","96.042","0.01","90","","847","0.8","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H10 F N O4 -","- C8 H10 F N O4 -","- C32 H40 F4 N4 O16 -","4","1","","Jiangli Yan; Frank Delaglio; Andreas Kaerner; Allen D. Kline; Huaping Mo; Michael J. Shapiro; Tim A. Smitka; Gregory A. Stephenson; Edward R. Zartler","Complete Relative Stereochemistry of Multiple Stereocenters Using Only Residual Dipolar Couplings","Journal of the American Chemical Society","2004","126","","5008","5017","10.1021/ja037605q","","","0.71073","MoKα","","0.0913","0.0462","","","0.0641","0.0708","","","","","","0.818","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112454","8.577","0.002","9.026","0.002","16.026","0.004","94.218","0.005","96.824","0.004","96.319","0.005","1219.7","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 Cl6 N6 O12 Rh2 S2 -","- C40 H44 Cl6 N6 O12 Rh2 S2 -","- C40 H44 Cl6 N6 O12 Rh2 S2 -","1","0.5","","Scott A. Hilderbrand; Mi Hee Lim; Stephen J. Lippard","Dirhodium Tetracarboxylate Scaffolds as Reversible Fluorescence-Based Nitric Oxide Sensors","Journal of the American Chemical Society","2004","126","","4972","4978","10.1021/ja038471j","","","0.71073","MoKα","","0.0671","0.0456","","","0.1045","0.1215","","","","","","1","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112455","11.387","0.002","16.431","0.003","12.395","0.002","90","","101.224","0.003","90","","2274.7","0.7","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N6 O12 Rh2 S2 -","- C40 H54 N6 O12 Rh2 S2 -","- C80 H108 N12 O24 Rh4 S4 -","2","0.5","","Scott A. Hilderbrand; Mi Hee Lim; Stephen J. Lippard","Dirhodium Tetracarboxylate Scaffolds as Reversible Fluorescence-Based Nitric Oxide Sensors","Journal of the American Chemical Society","2004","126","","4972","4978","10.1021/ja038471j","","","0.71073","MoKα","","0.1471","0.0799","","","0.0967","0.1127","","","","","","0.954","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112456","8.142","0.002","11.575","0.003","9.2779","0.0017","90","","123.867","0.015","90","","726","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O10 Rh2 -","- C8 H12 N2 O10 Rh2 -","- C16 H24 N4 O20 Rh4 -","2","0.5","","Scott A. Hilderbrand; Mi Hee Lim; Stephen J. Lippard","Dirhodium Tetracarboxylate Scaffolds as Reversible Fluorescence-Based Nitric Oxide Sensors","Journal of the American Chemical Society","2004","126","","4972","4978","10.1021/ja038471j","","","0.71073","MoKα","","0.0336","0.027","","","0.0528","0.0548","","","","","","1.134","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112457","8.156","0.003","13.112","0.005","9.576","0.004","90","","112.16","0.006","90","","948.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N2 O10 Rh2 -","- C12 H20 N2 O10 Rh2 -","- C24 H40 N4 O20 Rh4 -","2","0.5","","Scott A. Hilderbrand; Mi Hee Lim; Stephen J. Lippard","Dirhodium Tetracarboxylate Scaffolds as Reversible Fluorescence-Based Nitric Oxide Sensors","Journal of the American Chemical Society","2004","126","","4972","4978","10.1021/ja038471j","","","0.71073","MoKα","","0.0258","0.025","","","0.0651","0.0659","","","","","","1.142","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112458","8.44","0.003","10.463","0.003","14.299","0.004","105.432","0.014","106.84","0.02","96.004","0.018","1142.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 N2 O10 Rh2 -","- C16 H28 N2 O10 Rh2 -","- C32 H56 N4 O20 Rh4 -","2","1","","Scott A. Hilderbrand; Mi Hee Lim; Stephen J. Lippard","Dirhodium Tetracarboxylate Scaffolds as Reversible Fluorescence-Based Nitric Oxide Sensors","Journal of the American Chemical Society","2004","126","","4972","4978","10.1021/ja038471j","","","0.71073","MoKα","","0.0516","0.0342","","","0.0718","0.0772","","","","","","0.988","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112459","10.8741","0.0011","11.9789","0.0012","13.343","0.0014","90","","90","","90","","1738.1","0.3","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[(bpb)Fe(NO)(NO2)]","","","- C18 H12 Fe N6 O5 -","- C18 H12 Fe N6 O5 -","- C72 H48 Fe4 N24 O20 -","4","1","","Apurba K. Patra; Michael J. Rose; Marilyn M. Olmstead; Pradip K. Mascharak","Reactions of Nitric Oxide with a Low-Spin Fe(III) Center Ligated to a Tetradentate Dicarboxamide N4 Ligand: Parallels between Heme and Non-heme Systems","Journal of the American Chemical Society","2004","126","","4780","4781","10.1021/ja040015n","","","0.71073","MoKα","","0.0532","0.0351","","","0.0731","0.081","","","","","","1.007","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112460","7.1171","0.0008","12.5532","0.0013","8.9138","0.001","90","","94.076","0.004","90","","794.37","0.15","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","[(bpb)Fe(NO)]","","","- C18 H12 Fe N5 O3 -","- C18 H12 Fe N5 O3 -","- C36 H24 Fe2 N10 O6 -","2","1","","Apurba K. Patra; Michael J. Rose; Marilyn M. Olmstead; Pradip K. Mascharak","Reactions of Nitric Oxide with a Low-Spin Fe(III) Center Ligated to a Tetradentate Dicarboxamide N4 Ligand: Parallels between Heme and Non-heme Systems","Journal of the American Chemical Society","2004","126","","4780","4781","10.1021/ja040015n","","","0.71073","MoKα","","0.0235","0.0224","","","0.0592","0.0598","","","","","","1.027","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112461","20.846","0.004","8.1866","0.0017","26.808","0.006","90","","92.208","0.004","90","","4571.6","1.6","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(bpb-NO2)(NO3)(DMF)]","","","- C21 H18 Fe N7 O8 -","- C21 H18 Fe N7 O8 -","- C168 H144 Fe8 N56 O64 -","8","1","","Apurba K. Patra; Michael J. Rose; Marilyn M. Olmstead; Pradip K. Mascharak","Reactions of Nitric Oxide with a Low-Spin Fe(III) Center Ligated to a Tetradentate Dicarboxamide N4 Ligand: Parallels between Heme and Non-heme Systems","Journal of the American Chemical Society","2004","126","","4780","4781","10.1021/ja040015n","","","0.71073","MoKα","","0.1014","0.0585","","","0.1672","0.1889","","","","","","1.043","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112462","17.826","0.002","17.826","0.002","6.193","0.002","90","","90","","120","","1704.3","0.6","100","","100","","","","","","","","","4","P 32","P 32","145","","(R)-2-Chloro-3,3dimethyl-butan-1-ol","","- C6 H13 Cl O -","- C6 H13 Cl O -","- C54 H117 Cl9 O9 -","9","3","","Nis Halland; Alan Braunton; Stephan Bachmann; Mauro Marigo; Karl Anker Jørgensen","direct Organocatalytic Asymmetric α-Chlorination of Aldehydes","Journal of the American Chemical Society","2004","126","","4790","4791","10.1021/ja049231m","","","0.71073","MoKα","","","0.103","","","","0.128","","","","","","1.99","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112463","7.055","0.002","15.043","0.005","17.448","0.006","90","","90","","90","","1851.7","1","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O6 S -","- C19 H25 N O6 S -","- C76 H100 N4 O24 S4 -","4","1","","Masaki Kita; Mikiko Kondo; Tomoyuki Koyama; Kaoru Yamada; Tsuyosi Matsumoto; Kun-Hyung Lee; Je-Tae Woo; Daisuke Uemura","Symbioimine Exhibiting Inhibitory Effect of Osteoclast Differentiation, from the Symbiotic Marine Dinoflagellate Symbiodinium sp.","Journal of the American Chemical Society","2004","126","","4794","4795","10.1021/ja049277f","","","0.7107","MoKα","","","0.0607","","","","0.0829","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112464","7.995","0.005","9.113","0.006","30.058","0.019","90","","90","","90","","2190","2","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 Br O3 Si -","- C21 H33 Br O3 Si -","- C84 H132 Br4 O12 Si4 -","4","1","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.0707","0.0605","","","0.1048","0.1076","","","","","","1.196","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112465","9.023","0.003","9.848","0.003","12.297","0.004","86.474","0.005","85.994","0.005","86.697","0.005","1086.4","0.6","213","2","213","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H22 Br O4 -","- C25 H22 Br O4 -","- C50 H44 Br2 O8 -","2","2","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.0954","0.0515","","","0.1071","0.124","","","","","","1.036","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112466","6.6219","0.0011","10.9783","0.0018","14.434","0.002","90","","90","","90","","1049.3","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C44 H44 Br4 O12 -","4","1","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.0324","0.0267","","","0.0542","0.0571","","","","","","1.023","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112467","8.6784","0.0011","12.7229","0.0019","33.26","0.005","90","","90","","90","","3672.4","0.9","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19.5 Br O4.25 -","- C18 H19.5 Br O4.25 -","- C144 H156 Br8 O34 -","8","2","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.1941","0.061","","","0.118","0.1356","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112468","6.8313","0.0016","14.053","0.004","17.472","0.004","90","","90","","90","","1677.3","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br O5 -","- C18 H17 Br O5 -","- C72 H68 Br4 O20 -","4","1","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.0442","0.0323","","","0.0573","0.0587","","","","","","1.041","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112469","21.503","0.0001","25.489","0.0001","21.825","0.0001","90","","103.3","","90","","11641.2","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82.5 H206 B22 P6 Rh6 -","- C82.5 H206 B22 P6 Rh6 -","- C330 H824 B88 P24 Rh24 -","4","1","","Michael J. Ingleson; Mary F. Mahon; Paul R. Raithby; Andrew S. Weller","[(iPr3P)6Rh6H12]2+: A High-Hydride Content Octahedron that Bridges the Gap between Late and Early Transition Metal Clusters","Journal of the American Chemical Society","2004","126","","4784","4785","10.1021/ja049402n","","","0.71073","MoKα","","0.0832","0.048","","","0.1007","0.1163","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112470","13.337","0.0001","17.418","0.0002","17.832","0.0002","73.225","0.001","68.281","0.001","88.46","0.001","3669.7","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H167 B2 F48 P6 Rh6 -","- C124 H164 B2 F49 P6 Rh6 -","- C124 H164 B2 F49 P6 Rh6 -","1","0.5","","Michael J. Ingleson; Mary F. Mahon; Paul R. Raithby; Andrew S. Weller","[(iPr3P)6Rh6H12]2+: A High-Hydride Content Octahedron that Bridges the Gap between Late and Early Transition Metal Clusters","Journal of the American Chemical Society","2004","126","","4784","4785","10.1021/ja049402n","","","0.71073","MoKα","","0.0477","0.0351","","","0.0866","0.0948","","","","","","1.027","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112471","13.376","0.004","13.626","0.006","32.675","0.011","90","","90","","90","","5955","4","294","","294","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42.29 Cl N P2 Rh -","- C27 H42.295 Cl N P2 Rh -","- C216 H338.36 Cl8 N8 P16 Rh8 -","8","2","","Oleg V. Ozerov; Chengyun Guo; Vyacheslav A. Papkov; Bruce M. Foxman","Facile Oxidative Addition of N-C and N-H Bonds to Monovalent Rhodium and Iridium","Journal of the American Chemical Society","2004","126","","4792","4793","10.1021/ja049659l","","","0.71073","MoKα","","0.0955","0.0584","","0.1145","0.0609","0.0609","","","","","","1.1445","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112472","13.339","0.002","13.873","0.002","32.296","0.006","90","","90","","90","","5976.4","1.7","294","","294","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H86 Cl2 N2 P4 Rh2 -","- C54 H83 Cl2 N2 P4 Rh2 -","- C216 H332 Cl8 N8 P16 Rh8 -","4","1","","Oleg V. Ozerov; Chengyun Guo; Vyacheslav A. Papkov; Bruce M. Foxman","Facile Oxidative Addition of N-C and N-H Bonds to Monovalent Rhodium and Iridium","Journal of the American Chemical Society","2004","126","","4792","4793","10.1021/ja049659l","","","0.71073","MoKα","","0.2245","0.0888","","0.1332","0.0497","0.0497","","","","","","1.1685","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112473","7.247","0.002","14.983","0.005","22.489","0.007","90","","90.905","0.003","90","","2441.6","1.3","293.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Mn1.5 N12 O3 W -","- C16 H12 Mn1.5 N12 O3 W -","- C64 H48 Mn6 N48 O12 W4 -","4","1","","Toshinori Kashiwagi; Shin-ichi Ohkoshi; Hidetake Seino; Yasushi Mizobe; Kazuhito Hashimoto","Manganese(II) Octacyanotungstate(V)-Based Magnet Containing a Noncoordinated Aromatic Molecule","Journal of the American Chemical Society","2004","126","","5024","5025","10.1021/ja030648m","","","0.7107","MoKα","","","0.026","","","","0.073","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112474","43.91","0.007","43.91","0.007","19.208","0.007","90","","90","","120","","32073","14","130","2","130","2","","","","","","","","3","R -3 :H","-R 3","148","[Dipp*Ge(PhC=CPh)GeDipp*].1.5n-hexane.0.17methylcyclopentane","","","- C84 H107.38 Ge2 -","- C83.9933 H84 Ge2 -","- C1511.88 H1512 Ge36 -","18","1","","Chunming Cui; Marilyn M. Olmstead; Philip P. Power","Reactivity of Ar'GeGeAr' (Ar' = C6H3-2,6-Dipp2, Dipp = C6H3-2,6-iPr2) toward Alkynes: Isolation of a Stable Digermacyclobutadiene","Journal of the American Chemical Society","2004","126","","5062","5063","10.1021/ja0318481","","","1.54178","CuKα","","0.0767","0.0586","","","0.1565","0.1705","","","","","","1.044","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112475","33.299","0.008","13.209","0.003","38.495","0.013","90","","104.211","0.006","90","","16414","8","91","2","91","2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C71.25 H97 Ge2 Si2 -","- C71.25 H97 Ge2 Si2 -","- C570 H776 Ge16 Si16 -","8","2","","Chunming Cui; Marilyn M. Olmstead; Philip P. Power","Reactivity of Ar'GeGeAr' (Ar' = C6H3-2,6-Dipp2, Dipp = C6H3-2,6-iPr2) toward Alkynes: Isolation of a Stable Digermacyclobutadiene","Journal of the American Chemical Society","2004","126","","5062","5063","10.1021/ja0318481","","","0.71073","MoKα","","0.09","0.0713","","","0.2209","0.238","","","","","","1.061","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112476","10.6383","0.0011","10.934","0.0011","24.98","0.003","91.598","0.002","101.624","0.002","101.257","0.002","2784.5","0.5","183","2","193","2","","","","","","","","4","P -1","-P 1","2","(1-AdNC)2Mo(N[iPr]Ar)3","","","- C60 H90 Mo N5 -","- C60 H90 Mo N5 -","- C120 H180 Mo2 N10 -","2","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.1238","0.1077","","","0.2495","0.2566","","","","","","1.219","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112477","15.135","0.0014","13.5623","0.0012","19.6178","0.0018","90","","91.172","0.001","90","","4026","0.6","193","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(tBuNC)Mo(N[tBu]Ar)3","","","- C41 H63 Mo N4 -","- C41 H63 Mo N4 -","- C164 H252 Mo4 N16 -","4","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0754","0.0647","","","0.1563","0.1605","","","","","","1.143","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112478","15.2586","0.0006","16.2472","0.0006","22.7817","0.0009","90","","102.892","0.001","90","","5505.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H60 O14 P2 Pd2 Ru6 -","- C45 H60 O14 P2 Pd2 Ru6 -","- C180 H240 O56 P8 Pd8 Ru24 -","4","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0752","0.0462","","","0.0937","0.1044","","","","","","1.002","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112479","18.187","0.0005","19.6886","0.0006","31.119","0.0009","90","","95.031","0.001","90","","11100.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 O17 P2 Pt2 Ru6 -","- C42 H54 O17 P2 Pt2 Ru6 -","- C336 H432 O136 P16 Pt16 Ru48 -","8","2","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0773","0.0435","","","0.0669","0.076","","","","","","0.964","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112480","12.2489","0.0005","19.8587","0.0008","16.457","0.0006","90","","90","","90","","4003.1","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H27 O17 P Pt Ru6 -","- C30 H27 O17 P Pt Ru6 -","- C120 H108 O68 P4 Pt4 Ru24 -","4","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0417","0.0351","","","0.059","0.0614","","","","","","1.035","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112481","15.1983","0.0011","19.7491","0.0015","35.841","0.003","90","","90","","90","","10757.8","1.4","190","2","190","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 O17 P2 Pd2 Ru6 -","- C42 H54 O17 P2 Pd2 Ru6 -","- C336 H432 O136 P16 Pd16 Ru48 -","8","2","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0329","0.0296","","","0.0559","0.0567","","","","","","0.951","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112482","8.9793","0.0009","13.7655","0.0014","17.1762","0.0018","77.464","0.002","88.967","0.002","81.998","0.002","2052.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H33 O14 P Pd Ru6 -","- C33 H33 O14 P Pd Ru6 -","- C66 H66 O28 P2 Pd2 Ru12 -","2","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0732","0.0496","","","0.1061","0.1215","","","","","","1.06","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112483","17.972","0.0008","8.4","0.0003","28.315","0.0012","90","","113.307","0.0016","90","","3925.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound (1)","","","- C28 H39 Cl3 Cu N8 O17 -","- C28 H39 Cl3 Cu N8 O17 -","- C112 H156 Cl12 Cu4 N32 O68 -","4","1","","Enrique García-España; Pablo Gaviña; Julio Latorre; Conxa Soriano; Begoña Verdejo","CO2 Fixation by Copper(II) Complexes of a Terpyridinophane Aza Receptor","Journal of the American Chemical Society","2004","126","","5082","5083","10.1021/ja039577h","","","1.54184","CuKα","","0.1309","0.0776","","","0.1904","0.2152","","","","","","1.332","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112484","15.782","0.0007","13.297","0.0006","21.129","0.0012","90","","94.314","0.0016","90","","4421.4","0.4","150","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Compound (2)","","","- C28 H49 Cl4 Cu2 N8 O23.5 -","- C28 H37 Cl4 Cu2 N8 O23.5 -","- C112 H148 Cl16 Cu8 N32 O94 -","4","2","","Enrique García-España; Pablo Gaviña; Julio Latorre; Conxa Soriano; Begoña Verdejo","CO2 Fixation by Copper(II) Complexes of a Terpyridinophane Aza Receptor","Journal of the American Chemical Society","2004","126","","5082","5083","10.1021/ja039577h","","","0.71073","MoKα","","0.1259","0.0749","","","0.1775","0.2152","","","","","","1.191","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112485","3.6647","0.0007","24.225","0.005","7.606","0.0015","90","","95.45","0.03","90","","672.2","0.2","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 K N O3 -","- C6 H4 K N O3 -","- C24 H16 K4 N4 O12 -","4","1","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.71073","MoKa","","0.0301","0.0252","","0.0693","0.0648","","","","1.097","1.102","1.102","","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112486","12.13","0.002","20.632","0.004","25.974","0.005","102.96","0.03","94.34","0.03","94.77","0.03","6283","2","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H96 Er4 K4 N16 O52 -","- C112 H96 Er4 K4 N16 O52 -","- C224 H192 Er8 K8 N32 O104 -","2","1","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.71073","MoKα","","0.0708","0.0447","","","0.1077","0.1152","","","","","","0.904","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112487","19.322","0.003","19.322","0.003","33.829","0.007","90","","90","","90","","12630","4","203","2","203","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C176 H178 N24 O98 Tm14 -","- C176 H112 N24 O95.6 Tm14 -","- C352 H224 N48 O191.2 Tm28 -","2","0.125","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.71073","MoKa","","0.0672","0.0521","","0.1894","0.1472","","","","1.068","1.074","1.074","","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112488","18.943","0.004","7.762","0.0016","22.637","0.005","90","","99.98","0.03","90","","3278.1","1.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 K2 N5 O15 Tb -","- C30 H20 K2 N5 O15 Tb -","- C120 H80 K8 N20 O60 Tb4 -","4","1","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.71073","MoKα","","0.1007","0.0592","","","0.1352","0.1473","","","","","","0.873","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112489","14.693","0.003","18.214","0.008","15.094","0.006","90","","118.97","0.03","90","","3534","2","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H25 K2 N5 O15 Sm -","- C32.5 H25 K2 N5 O15 Sm -","- C130 H100 K8 N20 O60 Sm4 -","4","1","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.56087","AgKα","","0.0788","0.0529","","","0.1324","0.1471","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112490","14.722","0.004","18.265","0.011","15.108","0.006","90","0.6","119.1","0.03","90","0.6","3550","3","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H25 Eu K2 N5 O15 -","- C32.5 H25 Eu K2 N5 O15 -","- C130 H100 Eu4 K8 N20 O60 -","4","1","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.56087","AgKα","","0.1133","0.0583","","","0.1167","0.1364","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112491","17.8808","0.0005","8.6468","0.0003","32.425","0.001","90","","89.324","0.001","90","","5012.9","0.3","150.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H35 Fe O2 P Si -","- C26 H35 Fe O2 P Si -","- C208 H280 Fe8 O16 P8 Si8 -","8","1","","Masaaki Okazaki; Kyeong A Jung; Kazuyuki Satoh; Hiroshi Okada; Junpei Naito; Tadahiro Akagi; Hiromi Tobita; Hiroshi Ogino","Phosphasilaferracyclopropane: An Activator of Small Molecules Having Polarized Single, Double, and Aromatic Unsaturated Bonds","Journal of the American Chemical Society","2004","126","","5060","5061","10.1021/ja039704+","","","0.7107","MoKα","","","0.0421","","","","0.1327","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112492","9.48","0.001","11.1441","0.0009","25.933","0.003","90","","96.806","0.003","90","","2720.4","0.5","150.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 Fe O2 P Si -","- C28 H37 Fe O2 P Si -","- C112 H148 Fe4 O8 P4 Si4 -","4","1","","Masaaki Okazaki; Kyeong A Jung; Kazuyuki Satoh; Hiroshi Okada; Junpei Naito; Tadahiro Akagi; Hiromi Tobita; Hiroshi Ogino","Phosphasilaferracyclopropane: An Activator of Small Molecules Having Polarized Single, Double, and Aromatic Unsaturated Bonds","Journal of the American Chemical Society","2004","126","","5060","5061","10.1021/ja039704+","","","0.7107","MoKα","","","0.0401","","","","0.1174","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112493","10.934","0.006","15.733","0.005","17.676","0.006","90","","91.16","0.04","90","","3040","2","423.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Fe N2 O P Si -","- C32 H41 Fe N2 O P Si -","- C128 H164 Fe4 N8 O4 P4 Si4 -","4","1","","Masaaki Okazaki; Kyeong A Jung; Kazuyuki Satoh; Hiroshi Okada; Junpei Naito; Tadahiro Akagi; Hiromi Tobita; Hiroshi Ogino","Phosphasilaferracyclopropane: An Activator of Small Molecules Having Polarized Single, Double, and Aromatic Unsaturated Bonds","Journal of the American Chemical Society","2004","126","","5060","5061","10.1021/ja039704+","","","0.7107","MoKα","","","0.0581","","","","0.0635","","","","","","1.671","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112494","20.029","0.005","21.508","0.005","21.244","0.005","90","","100.491","0.006","90","","8999","4","173.5","0.1","173.5","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 Cl2 N12 O4 Pt -","- C56 H68 Cl2 N12 O4 Pt -","- C336 H408 Cl12 N72 O24 Pt6 -","6","1.5","","Chantelle R. Bondy; Philip A. Gale; Stephen J. Loeb","Metal-Organic Anion Receptors: Arranging Urea Hydrogen-Bond Donors to Encapsulate Sulfate Ions","Journal of the American Chemical Society","2004","126","","5030","5031","10.1021/ja039712q","","","0.71073","MoKα","","0.1214","0.0655","","","0.1551","0.1784","","","","","","0.97","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112495","20.7","0.003","11.4505","0.0016","27.823","0.004","90","","96.944","0.003","90","","6546.4","1.6","173.5","0.1","173.5","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H82 N14 O11 Pt S -","- C62 H82 N14 O11 Pt S -","- C248 H328 N56 O44 Pt4 S4 -","4","1","","Chantelle R. Bondy; Philip A. Gale; Stephen J. Loeb","Metal-Organic Anion Receptors: Arranging Urea Hydrogen-Bond Donors to Encapsulate Sulfate Ions","Journal of the American Chemical Society","2004","126","","5030","5031","10.1021/ja039712q","","","0.71073","MoKα","","0.079","0.075","","","0.1629","0.1646","","","","","","1.197","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112496","24.229","0.0012","12.077","0.0005","24.573","0.0011","90","","104.763","0.003","90","","6953","0.6","120","2","120","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Tetrakis(tetrahydrofuran)lithium(I) 1,1,3,3-tetrakis- [di-tert-butyl(methyl)silyl]-1,3-disila-2-gallataallene","","- C58 H122 Ga Li O4 Si6 -","- C58 H122 Ga Li O4 Si6 -","- C232 H488 Ga4 Li4 O16 Si24 -","4","1","","Norio Nakata; Rika Izumi; Vladimir Ya. Lee; Masaaki Ichinohe; Akira Sekiguchi","1,3-Disila-2-gallata- and -indata allenic Anions [>SiMSi<]-.Li+ (M = Ga, In): Compounds Featuring Double Bonds between Elements of Groups 13 and 14","Journal of the American Chemical Society","2004","126","","5058","5059","10.1021/ja040001h","","","0.7107","MoKα","","0.1044","0.0564","","","0.1332","0.1516","","","","","","0.926","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112497","8.7934","0.0004","21.9625","0.0009","12.7233","0.0006","90","","97.497","0.001","90","","2436.18","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Mn Mo O8 S2 -","- C20 H19 Mn Mo O8 S2 -","- C80 H76 Mn4 Mo4 O32 S8 -","4","1","","Richard D. Adams; Shaobin Miao","Metal Carbonyl Derivatives of 1,4-Quinone and 1,4-Hydroquinone","Journal of the American Chemical Society","2004","126","","5056","5057","10.1021/ja049170s","","","0.71073","MoKα","","0.0314","0.0267","","","0.0637","0.0664","","","","","","1.025","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112498","8.287","0.003","20.037","0.008","10.151","0.004","90","","95.856","0.006","90","","1676.7","1.1","153.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 N2 O10 -","- C34 H48 N2 O10 -","- C68 H96 N4 O20 -","2","0.5","","Hidetoshi Kawai; Ryo Katoono; Kouki Nishimura; Shunsuke Matsuda; Kenshu Fujiwara; Takashi Tsuji; Takanori Suzuki","Positive Homotropic Allosteric Binding of Benzenediols in a Hydrindacene-Based Exoditopic Receptor: Cooperativity in Amide Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","5034","5035","10.1021/ja049336p","","","0.7107","MoKα","","","0.0373","","","","0.0479","","","","","","1.244","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112499","8.337","0.003","19.963","0.007","15.75","0.006","90","","102.408","0.007","90","","2560.1","1.6","173.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H60 N2 O10 -","- C64 H60 N2 O10 -","- C128 H120 N4 O20 -","2","0.5","","Hidetoshi Kawai; Ryo Katoono; Kouki Nishimura; Shunsuke Matsuda; Kenshu Fujiwara; Takashi Tsuji; Takanori Suzuki","Positive Homotropic Allosteric Binding of Benzenediols in a Hydrindacene-Based Exoditopic Receptor: Cooperativity in Amide Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","5034","5035","10.1021/ja049336p","","","0.7107","MoKα","","","0.051","","","","0.0602","","","","","","1.336","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112500","13.343","0.002","13.7657","0.0007","18.3825","0.0006","90","","111.508","0.0007","90","","3141.3","0.5","110.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H72 N2 O14 -","- C76 H72 N2 O14 -","- C152 H144 N4 O28 -","2","0.5","","Hidetoshi Kawai; Ryo Katoono; Kouki Nishimura; Shunsuke Matsuda; Kenshu Fujiwara; Takashi Tsuji; Takanori Suzuki","Positive Homotropic Allosteric Binding of Benzenediols in a Hydrindacene-Based Exoditopic Receptor: Cooperativity in Amide Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","5034","5035","10.1021/ja049336p","","","0.7107","MoKα","","","0.0538","","","","0.0728","","","","","","1.561","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112501","11.4515","0.0009","12.187","0.001","12.55","0.001","85.201","0.003","79.058","0.002","69.252","0.001","1607.8","0.2","173.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H72 N2 O14 -","- C76 H70 N2 O14 -","- C76 H70 N2 O14 -","1","0.5","","Hidetoshi Kawai; Ryo Katoono; Kouki Nishimura; Shunsuke Matsuda; Kenshu Fujiwara; Takashi Tsuji; Takanori Suzuki","Positive Homotropic Allosteric Binding of Benzenediols in a Hydrindacene-Based Exoditopic Receptor: Cooperativity in Amide Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","5034","5035","10.1021/ja049336p","","","0.7107","MoKα","","","0.0553","","","","0.0772","","","","","","2.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112502","8.889","0.001","17.022","0.001","19.613","0.003","80.493","0.003","84.133","0.001","77.093","0.001","2846.3","0.6","123.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C67 H66 N2 O11 -","- C67 H66 N2 O11 -","- C134 H132 N4 O22 -","2","1","","Hidetoshi Kawai; Ryo Katoono; Kouki Nishimura; Shunsuke Matsuda; Kenshu Fujiwara; Takashi Tsuji; Takanori Suzuki","Positive Homotropic Allosteric Binding of Benzenediols in a Hydrindacene-Based Exoditopic Receptor: Cooperativity in Amide Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","5034","5035","10.1021/ja049336p","","","0.7107","MoKα","","","0.0486","","","","0.0602","","","","","","1.607","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112503","9.4003","0.0006","11.846","0.0008","12.6971","0.0008","65.253","0.001","77.404","0.001","73.078","0.001","1220.9","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 Cl N4 Rh -","- C22 H40 Cl N4 Rh -","- C44 H80 Cl2 N8 Rh2 -","2","1","","Reto Dorta; Edwin D. Stevens; Steven P. Nolan","Double C-H Activation in a Rh-NHC Complex Leading to the Isolation of a 14-Electron Rh(III) Complex","Journal of the American Chemical Society","2004","126","","5054","5055","10.1021/ja049545+","","","0.71073","MoKα","","0.0453","0.0366","","","0.091","0.0947","","","","","","1.044","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112504","9.0969","0.0004","10.1843","0.0005","14.2497","0.0007","93.026","0.001","98.282","0.001","110.959","0.001","1212.17","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H38 Cl N4 Rh -","- C22 H38 Cl N4 Rh -","- C44 H76 Cl2 N8 Rh2 -","2","1","","Reto Dorta; Edwin D. Stevens; Steven P. Nolan","Double C-H Activation in a Rh-NHC Complex Leading to the Isolation of a 14-Electron Rh(III) Complex","Journal of the American Chemical Society","2004","126","","5054","5055","10.1021/ja049545+","","","0.71073","MoKα","","0.0218","0.0201","","","0.0459","0.0466","","","","","","1.057","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112505","15.5823","0.0008","21.0284","0.001","10.3295","0.0005","90","","128.636","0.001","90","","2643.9","0.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H38 F6 N4 P Rh -","- C22 H38 F6 N4 P Rh -","- C88 H152 F24 N16 P4 Rh4 -","4","1","","Reto Dorta; Edwin D. Stevens; Steven P. Nolan","Double C-H Activation in a Rh-NHC Complex Leading to the Isolation of a 14-Electron Rh(III) Complex","Journal of the American Chemical Society","2004","126","","5054","5055","10.1021/ja049545+","","","0.71073","MoKα","","0.0268","0.0231","","","0.0533","0.0547","","","","","","1.025","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112506","36.836","0.005","7.619","0.001","5.886","0.0008","90","","92.92","0.01","90","","1649.8","0.4","298.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Se2 -","- C22 H14 Se2 -","- C88 H56 Se8 -","4","1","","Kazuo Takimiya; Yoshihito Kunugi; Yasushi Konda; Naoto Niihara; Tetsuo Otsubo","2,6-Diphenylbenzo[1,2-b:4,5-b']dichalcogenophenes: A New Class of High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2004","126","","5084","5085","10.1021/ja0496930","","","0.7107","MoKα","","","0.0708","","","","0.2445","","","","","","1.178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112507","20.8588","0.0003","20.8678","0.0004","19.0273","0.0003","90","","108.489","0.001","90","","7854.7","0.2","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cl2 N4 Pd -","- C42 H48 Cl2 N4 Pd -","- C336 H384 Cl16 N32 Pd8 -","8","1","","Hélène Lebel; Marc K. Janes; André B. Charette; Steven P. Nolan","Structure and Reactivity of ""Unusual"" N-Heterocyclic Carbene (NHC) Palladium Complexes Synthesized from Imidazolium Salts","Journal of the American Chemical Society","2004","126","","5046","5047","10.1021/ja049759r","","","1.54178","CuKα","","0.0754","0.0415","","","0.0762","0.0819","","","","","","0.992","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112508","50.4","0.003","10.9732","0.0006","32.3863","0.0018","90","","127.41","0.002","90","","14227","1.4","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","C 1 c 1","C -2yc","9","","","","- C42 H48 Cl2 N4 Pd -","- C42 H48 Cl2 N4 Pd -","- C504 H576 Cl24 N48 Pd12 -","12","3","","Hélène Lebel; Marc K. Janes; André B. Charette; Steven P. Nolan","Structure and Reactivity of ""Unusual"" N-Heterocyclic Carbene (NHC) Palladium Complexes Synthesized from Imidazolium Salts","Journal of the American Chemical Society","2004","126","","5046","5047","10.1021/ja049759r","","","1.54178","CuKα","","0.105","0.0565","","","0.1051","0.1151","","","","","","0.814","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112509","14.517","0.0002","14.562","0.0002","16.604","0.0003","68.92","0.0007","82.401","0.0007","87.837","0.0009","3246.19","0.09","230","0.2","230","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H69 B3 O12 S Th -","- C72 H57 B3 O12 S Th -","- C144 H114 B6 O24 S2 Th2 -","2","1","","Eyal Barnea; Tamer Andrea; Moshe Kapon; Moris S. Eisen","Formation of Inclusion Organoactinide Complexes with Boron-Containing Macrocycles","Journal of the American Chemical Society","2004","126","","5066","5067","10.1021/ja0498843","","","0.71073","MoKα","","0.0568","0.0329","","","0.0646","0.075","","","","","","0.904","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112510","17.383","0.0003","16.774","0.0004","18.284","0.0004","90","","107.866","0.0007","90","","5074.2","0.19","230","0.2","230","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 B3 O12 S U -","- C54 H51 B3 O12 S U -","- C216 H204 B12 O48 S4 U4 -","4","1","","Eyal Barnea; Tamer Andrea; Moshe Kapon; Moris S. Eisen","Formation of Inclusion Organoactinide Complexes with Boron-Containing Macrocycles","Journal of the American Chemical Society","2004","126","","5066","5067","10.1021/ja0498843","","","0.71073","MoKα","","0.0925","0.0369","","","0.084","0.1077","","","","","","0.896","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112511","9.77","0.0002","21.172","0.0003","24.294","0.0004","90","","97.149","0.0007","90","","4986.16","0.15","230","0.1","230","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H55 B3 O14 Th -","- C54 H54.2 B3 O14 Th -","- C216 H216.8 B12 O56 Th4 -","4","1","","Eyal Barnea; Tamer Andrea; Moshe Kapon; Moris S. Eisen","Formation of Inclusion Organoactinide Complexes with Boron-Containing Macrocycles","Journal of the American Chemical Society","2004","126","","5066","5067","10.1021/ja0498843","","","0.71073","MoKα","","0.0747","0.0362","","","0.0705","0.0744","","","","","","0.859","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112512","17.192","0.0005","16.451","0.0005","18.7","0.0006","90","","111.166","0.0013","90","","4932","0.3","230","0.2","230","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 B3 Li O13 Th -","- C52 H46 B3 Li O13 Th -","- C208 H184 B12 Li4 O52 Th4 -","4","1","","Eyal Barnea; Tamer Andrea; Moshe Kapon; Moris S. Eisen","Formation of Inclusion Organoactinide Complexes with Boron-Containing Macrocycles","Journal of the American Chemical Society","2004","126","","5066","5067","10.1021/ja0498843","","","0.71073","MoKα","","0.0846","0.0436","","","0.1044","0.115","","","","","","0.892","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112513","18.617","0.006","9.935","0.003","19.129","0.007","90","","90.781","0.007","90","","3538","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C Br3 Cl F31 O8 S Sb Te6 -","- C Br3 Cl F31 O8 S Sb Te6 -","- C4 Br12 Cl4 F124 O32 S4 Sb4 Te24 -","4","1","","Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo","The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5)","Journal of the American Chemical Society","2004","126","","5533","5548","10.1021/ja030649e","","","0.71073","MoKα","","0.1229","0.0621","","","0.1051","0.1211","","","","","","1.035","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112514","10.082","0.004","10.95","0.004","24.572","0.01","83.482","0.008","81.679","0.007","70.019","0.007","2516.6","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C Cl3 F48 O15 S3 Sb Te9 -","- C Cl3 F48 O15 S3 Sb Te9 -","- C2 Cl6 F96 O30 S6 Sb2 Te18 -","2","1","","Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo","The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5)","Journal of the American Chemical Society","2004","126","","5533","5548","10.1021/ja030649e","","","0.71073","MoKα","","0.1653","0.0668","","","0.1081","0.1259","","","","","","0.878","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112515","8.7059","0.0019","9.181","0.002","9.862","0.002","104.111","0.005","103.507","0.005","98.851","0.005","724.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C Cl3 F30 O6 Sb Te6 -","- C Cl3 F30 O6 Sb Te6 -","- C Cl3 F30 O6 Sb Te6 -","1","0.5","","Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo","The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5)","Journal of the American Chemical Society","2004","126","","5533","5548","10.1021/ja030649e","","","0.71073","MoKα","","0.0628","0.0355","","","0.0687","0.0736","","","","","","0.982","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112516","19.969","0.004","18.076","0.004","21.147","0.004","90","","105.17","0.03","90","","7367","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 F12 N O P Pd -","- C35 H40 F12 N O P Pd -","- C280 H320 F96 N8 O8 P8 Pd8 -","8","2","","Makoto Yamashita; John F. Hartwig","Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes","Journal of the American Chemical Society","2004","126","","5344","5345","10.1021/ja0315107","","","0.71073","MoKα","","0.1292","0.0546","","","0.1127","0.1356","","","","","","1.002","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112517","10.251","0.002","19.822","0.004","20.2","0.004","90","","94.75","0.03","90","","4090.4","1.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 F12 Fe N O P Pd -","- C41 H40 F12 Fe N O P Pd -","- C164 H160 F48 Fe4 N4 O4 P4 Pd4 -","4","1","","Makoto Yamashita; John F. Hartwig","Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes","Journal of the American Chemical Society","2004","126","","5344","5345","10.1021/ja0315107","","","0.71073","MoKα","","0.0883","0.0434","","","0.0962","0.1094","","","","","","1.029","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112518","14.979","0.003","17.638","0.004","24.486","0.005","90","","103.7","0.03","90","","6285","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71 H60 F12 Fe N O P Pd -","- C71 H60 F12 Fe N O P Pd -","- C284 H240 F48 Fe4 N4 O4 P4 Pd4 -","4","1","","Makoto Yamashita; John F. Hartwig","Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes","Journal of the American Chemical Society","2004","126","","5344","5345","10.1021/ja0315107","","","0.71073","MoKα","","0.1332","0.0536","","","0.1004","0.1213","","","","","","1.004","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112519","12.301","0.003","12.824","0.003","14.038","0.003","63.3","0.03","67.09","0.03","71.43","0.03","1794.3","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H36 F12 N P Pd S -","- C31 H35 F12 N P Pd S1.4 -","- C62 H70 F24 N2 P2 Pd2 S2.8 -","2","1","","Makoto Yamashita; John F. Hartwig","Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes","Journal of the American Chemical Society","2004","126","","5344","5345","10.1021/ja0315107","","","0.71073","MoKα","","0.071","0.0454","","","0.1009","0.1094","","","","","","1.082","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112520","13.525","0.003","15.326","0.003","15.58","0.003","73.57","0.03","71.97","0.03","81.58","0.03","2939.4","1.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C67.5 H53 F12 Fe N O P2 Pd -","- C67.5 H49 F12 Fe N O P2 Pd -","- C135 H98 F24 Fe2 N2 O2 P4 Pd2 -","2","1","","Makoto Yamashita; John F. Hartwig","Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes","Journal of the American Chemical Society","2004","126","","5344","5345","10.1021/ja0315107","","","0.71073","MoKα","","0.0781","0.0485","","","0.1253","0.1388","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112521","11.8025","0.0012","11.8154","0.0012","11.996","0.0012","73.134","0.002","63.641","0.002","85.474","0.002","1432","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H36 O Si -","- C38 H36 O Si -","- C76 H72 O2 Si2 -","2","1","","Irina S. Toulokhonova; Ilia A. Guzei; Robert West","Synthesis of a Silene from 1,1-Dilithiosilole and 2-Adamantanone","Journal of the American Chemical Society","2004","126","","5336","5337","10.1021/ja0318176","","","0.71073","MoKα","","0.0462","0.0434","","","0.1174","0.1201","","","","","","1.052","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112522","17.9305","0.001","10.7556","0.0006","20.4058","0.0011","90","","109.201","0.001","90","","3716.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 O2 Si -","- C48 H50 O2 Si -","- C192 H200 O8 Si4 -","4","1","","Irina S. Toulokhonova; Ilia A. Guzei; Robert West","Synthesis of a Silene from 1,1-Dilithiosilole and 2-Adamantanone","Journal of the American Chemical Society","2004","126","","5336","5337","10.1021/ja0318176","","","0.71073","MoKα","","0.0666","0.0515","","","0.1337","0.1424","","","","","","1.082","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112523","14.2755","0.0017","15.4092","0.0018","19.496","0.002","97.471","0.002","104.111","0.002","115.452","0.002","3618","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H48 O Si -","- C48 H48 O Si -","- C192 H192 O4 Si4 -","4","2","","Irina S. Toulokhonova; Ilia A. Guzei; Robert West","Synthesis of a Silene from 1,1-Dilithiosilole and 2-Adamantanone","Journal of the American Chemical Society","2004","126","","5336","5337","10.1021/ja0318176","","","0.71073","MoKα","","0.1539","0.0849","","","0.2005","0.2221","","","","","","1.019","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112524","9.4421","0.0012","18.289","0.002","55.173","0.007","90","","90","","90","","9528","2","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Cl4 P2 Pt Sn -","- C29 H30 Cl4 P2 Pt Sn -","- C348 H360 Cl48 P24 Pt12 Sn12 -","12","3","","Charles P. Casey; Susie C. Martins; Maureen A. Fagan","Reversal of Enantioselectivity in the Hydroformylation of Styrene with [2S,4S-BDPP]Pt(SnCl3)Cl at High Temperature Arises from a Change in the Enantioselective-Determining Step","Journal of the American Chemical Society","2004","126","","5585","5592","10.1021/ja0318479","","","0.71073","MoKα","","0.2092","0.0856","","","0.1649","0.204","","","","","","0.981","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112525","8.705","0.002","5.185","0.003","15.168","0.003","90","","101.69","0.02","90","","670.4","0.4","296.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 Cl2 N O -","- C13 H15 Cl2 N O -","- C26 H30 Cl4 N2 O2 -","2","1","","Yoshinori Nishii; Kazunori Wakasugi; Keisuke Koga; Yoo Tanabe","Chirality Exchange from sp3 Central Chirality to Axial Chirality: Benzannulation of Optically Active Diaryl-2,2-dichlorocyclopropylmethanols to Axially Chiral α-Arylnaphthalenes","Journal of the American Chemical Society","2004","126","","5358","5359","10.1021/ja0319442","","","0.7107","MoKα","","","0.0333","","","","0.0488","","","","","","1.409","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112526","8.043","0.0008","8.818","0.001","12.961","0.002","97.664","0.007","107.021","0.008","109.557","0.003","800.49","0.18","293.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 Cl2 O -","- C18 H18 Cl2 O -","- C36 H36 Cl4 O2 -","2","1","","Yoshinori Nishii; Kazunori Wakasugi; Keisuke Koga; Yoo Tanabe","Chirality Exchange from sp3 Central Chirality to Axial Chirality: Benzannulation of Optically Active Diaryl-2,2-dichlorocyclopropylmethanols to Axially Chiral α-Arylnaphthalenes","Journal of the American Chemical Society","2004","126","","5358","5359","10.1021/ja0319442","","","1.5418","CuKα","","","0.048","","","","0.095","","","","","","0.88","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112527","25.251","0.003","6.856","0.001","10.484","0.001","90","","112.78","0.01","90","","1673.4","0.4","298.2","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H13 Br2 Cl -","- C18 H13 Br2 Cl -","- C72 H52 Br8 Cl4 -","4","1","","Yoshinori Nishii; Kazunori Wakasugi; Keisuke Koga; Yoo Tanabe","Chirality Exchange from sp3 Central Chirality to Axial Chirality: Benzannulation of Optically Active Diaryl-2,2-dichlorocyclopropylmethanols to Axially Chiral α-Arylnaphthalenes","Journal of the American Chemical Society","2004","126","","5358","5359","10.1021/ja0319442","","","1.5418","CuKα","","","0.0475","","","","0.0693","","","","","","1.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112528","7.6096","0.0006","8.7046","0.0007","21.8164","0.0018","90","","90","","90","","1445.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C64 H108 N4 O8 -","4","1","","Aaron Wrobleski; Kiran Sahasrabudhe; Jeffrey Aubé","Asymmetric Total Synthesis of Dendrobatid Alkaloids: Preparation of Indolizidine 251F and Its 3-Desmethyl Analogue Using an Intramolecular Schmidt Reaction Strategy","Journal of the American Chemical Society","2004","126","","5475","5481","10.1021/ja0320018","","","0.71073","MoKα","","0.0466","0.0419","","","0.1015","0.1047","","","","","","1.047","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112529","19.8444","0.0007","8.5365","0.0003","12.0682","0.0004","90","","113.731","0.001","90","","1871.51","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 F2 N4 O2 Si -","- C18 H22 F2 N4 O2 Si -","- C72 H88 F8 N16 O8 Si4 -","4","0.5","","Nikolaus Kocher; Julian Henn; Boris Gostevskii; Daniel Kost; Inna Kalikhman; Bernd Engels; Dietmar Stalke","Si-E (E = N, O, F) Bonding in a Hexacoordinated Silicon Complex: New Facts from Experimental and Theoretical Charge Density Studies","Journal of the American Chemical Society","2004","126","","5563","5568","10.1021/ja038459r","","","0.71073","MoKα","","0.042","0.0365","","","0.102","0.1052","","","","","","1.011","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112530","10.533","0.001","12.728","0.001","14.913","0.001","89.465","0.006","89.799","0.006","96.143","0.006","1987.7","0.3","100","0.5","100","0.5","","","","","","","see text","5","P -1","-P 1","2","","","","- C47 H46 Cl2 P2 Ru -","- C47 H46 Cl2 P2 Ru -","- C94 H92 Cl4 P4 Ru2 -","2","1","","Walter Baratta; Carlo Mealli; Eberhardt Herdtweck; Andrea Ienco; Sax A. Mason; Pierluigi Rigo","Nonclassical vs Classical Metal...H3C-C Interactions: Accurate Characterization of a 14-Electron Ruthenium(II) System by Neutron Diffraction, Database Analysis, Solution Dynamics, and DFT Studies","Journal of the American Chemical Society","2004","126","","5549","5562","10.1021/ja038986a","","neutron","1.5364","neutron","","0.0727","0.0641","","","0.1261","0.1305","","","","","","1.123","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112531","11.883","0.002","21.427","0.004","28.346","0.006","90","","90","","90","","7217","2","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C89 H66 Ag Cl1.75 F0 O4 P4 S -","- C88.96 H65.73 Ag Cl1.895 O4 P4 S -","- C355.84 H262.92 Ag4 Cl7.58 O16 P16 S4 -","4","1","","Norie Momiyama; Hisashi Yamamoto","Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity","Journal of the American Chemical Society","2004","126","","5360","5361","10.1021/ja039103i","","","0.71073","MoKα","","0.048","0.0462","","","0.1092","0.1102","","","","","","1.152","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112532","11.122","0.002","16.334","0.003","24.032","0.005","90","","90","","90","","4365.8","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H32 Ag2 F6 O6 P2 S2 -","- C46 H32 Ag2 F6 O6 P2 S2 -","- C184 H128 Ag8 F24 O24 P8 S8 -","4","1","","Norie Momiyama; Hisashi Yamamoto","Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity","Journal of the American Chemical Society","2004","126","","5360","5361","10.1021/ja039103i","","","0.71073","MoKα","","0.0348","0.0317","","","0.0752","0.0761","","","","","","1.031","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112533","24.902","0.015","10.638","0.006","17.118","0.01","90","","118.091","0.009","90","","4001","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H56 O2 P4 Pd -","- C40 H56 O2 P4 Pd -","- C160 H224 O8 P16 Pd4 -","4","0.5","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.0328","0.0305","","","0.0939","0.0973","","","","","","0.838","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112534","11.087","0.002","14.17","0.003","15.859","0.003","90.503","0.003","109.192","0.003","106.287","0.003","2244.5","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H64 O2 P4 Pd -","- C46 H64 O2 P4 Pd -","- C92 H128 O4 P8 Pd2 -","2","1","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.0421","0.0376","","","0.0949","0.0978","","","","","","1.076","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112535","20.379","0.0008","16.9052","0.0007","21.5603","0.0008","90","","111.672","0.001","90","","6902.7","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H58 B2 F8 O P4 Pd -","- C24 H58 B2 F8 O P4 Pd -","- C192 H464 B16 F64 O8 P32 Pd8 -","8","2","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.1166","0.0522","","","0.0908","0.1098","","","","","","1.023","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112536","12.423","0.01","22.881","0.017","16.794","0.013","90","","100.713","0.015","90","","4691","6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H62 B2 F8 O3 P4 Pd -","- C42 H58 B2 F8 O3 P4 Pd -","- C168 H232 B8 F32 O12 P16 Pd4 -","4","1","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.1041","0.0674","","","0.17","0.1914","","","","","","1.021","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112537","14.0903","0.0019","18.715","0.003","23.13","0.003","106.886","0.002","106.065","0.003","90.951","0.003","5577.2","1.4","164","2","164","2","","","","","","","","8","P -1","-P 1","2","","","","- C104 H150 B4 F16 N4 O5 P8 Pd2 -","- C104 H150 B4 F16 N4 O5 P8 Pd2 -","- C208 H300 B8 F32 N8 O10 P16 Pd4 -","2","1","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.1141","0.0775","","","0.2142","0.2393","","","","","","1.088","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112538","10.035","0.005","10.316","0.005","18.247","0.009","80.89","0.009","79.214","0.009","66.363","0.008","1692.6","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H56 P4 Pd -","- C32 H56 P4 Pd -","- C64 H112 P8 Pd2 -","2","1","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.045","0.0377","","","0.0913","0.095","","","","","","1.037","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112539","19.58","0.02","11.555","0.013","16.865","0.019","90","","99.802","0.019","90","","3760","7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 B F4 P2 Pd0.5 -","- C16 H28 B F4 P2 Pd0.5 -","- C128 H224 B8 F32 P16 Pd4 -","8","1","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.0448","0.0422","","","0.1062","0.1083","","","","","","1.131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112540","10.2163","0.001","10.2163","0.001","5.9707","0.0006","90","","90","","120","","539.69","0.09","190","2","190","2","","","","","","","","2","P 63/m","-P 6c","176","","","","- C6 N16 -","- C6 N16 -","- C12 N32 -","2","0.166667","","Dale R. Miller; Dale C. Swenson; Edward G. Gillan","Synthesis and Structure of 2,5,8-Triazido-s-Heptazine: An Energetic and Luminescent Precursor to Nitrogen-Rich Carbon Nitrides","Journal of the American Chemical Society","2004","126","","5372","5373","10.1021/ja048939y","","","0.71073","MoKα","","0.0368","0.035","","","0.1052","0.1078","","","","","","1.191","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112541","6.8315","0.0015","7.4154","0.0016","30.72","0.007","90","","93.928","0.005","90","","1552.6","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","para-tolualdehyde N-tert-butyldimethylsilylhydrozone","","","- C14 H24 N2 Si -","- C14 H24 N2 Si -","- C56 H96 N8 Si4 -","4","1","","Michael E. Furrow; Andrew G. Myers","Practical Procedures for the Preparation of N-tert-Butyldimethylsilylhydrazones and Their Use in Modified Wolff-Kishner Reductions and in the Synthesis of Vinyl Halides and gem-Dihalides","Journal of the American Chemical Society","2004","126","","5436","5445","10.1021/ja049694s","","","0.71073","MoKα","","0.1493","0.0766","","","0.1284","0.1475","","","","","","0.99","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112542","48.2928","0.0011","48.2928","0.0011","11.8656","0.0011","90","","90","","120","","23965","2","298","2","298","2","","","","","","","chemical synthesis","3","R 3 m :H","R 3 -2""","160","","Hexakis(2',3',4',5',6'-pentaphenylbiphenyl-4-yl)benzene","","- C272 H202 Cl28 -","- C264 H174 -","- C792 H522 -","3","0.166667","","Xianfeng Shen; Douglas M. Ho; Robert A. Pascal","Synthesis of Polyphenylene Dendrimers Related to ""Cubic Graphite""","Journal of the American Chemical Society","2004","126","","5798","5805","10.1021/ja030675c","","","0.71073","MoKα","","0.1545","0.1321","","0.3751","0.3431","","","","1.033","1.204","1.204","","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112543","12.941","0.0002","6.228","0.0001","14.697","0.0002","90","","105.806","0.001","90","","1139.74","0.03","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F N O -","- C13 H16 F N O -","- C52 H64 F4 N4 O4 -","4","1","","Eric M. Tippmann; Matthew S. Platz; Irina B. Svir; Oleksiy V. Klymenko","Evidence for Specific Solvation of Two Halocarbene Amides","Journal of the American Chemical Society","2004","126","","5750","5762","10.1021/ja039693k","","","0.71073","MoKα","","0.0644","0.0424","","0.1195","0.1068","","","","1.028","1.078","1.078","","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112544","8.6822","0.0007","12.6421","0.0011","14.2624","0.0013","90","","91.29","0.002","90","","1565.1","0.2","243","2","243","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H32 Cl3 N3 O2 Si -","- C31 H32 Cl3 N3 O2 Si -","- C62 H64 Cl6 N6 O4 Si2 -","2","1","","Richard Berger; Keiko Duff; James L. Leighton","Enantioselective Allylation of Ketone-Derived Benzoylhydrazones: Practical Synthesis of Tertiary Carbinamines","Journal of the American Chemical Society","2004","126","","5686","5687","10.1021/ja0486418","","","0.71073","MoKα","","0.049","0.0383","","","0.0909","0.0957","","","","","","1.062","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112545","15.734","0.002","24.833","0.003","21.45","0.003","90","","102.226","0.008","90","","8190.9","1.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H64 B2 F40 N2 P2 Ti2 -","- C82 H64 B2 F40 N2 P2 Ti2 -","- C328 H256 B8 F160 N8 P8 Ti8 -","4","1","","Kuangbiao Ma; Warren E. Piers; Yuan Gao; Masood Parvez","Isolation and Characterization of a Monomeric Cationic Titanium Hydride","Journal of the American Chemical Society","2004","126","","5668","5669","10.1021/ja048952i","","","0.71073","MoKα","","0.0719","0.0403","","","0.0986","0.1162","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112546","12.517","0.002","14.815","0.002","14.984","0.003","96.751","0.006","111.708","0.007","94.706","0.007","2539.8","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H51 B F20 N O P Ti -","- C50 H51 B F20 N O P Ti -","- C100 H102 B2 F40 N2 O2 P2 Ti2 -","2","1","","Kuangbiao Ma; Warren E. Piers; Yuan Gao; Masood Parvez","Isolation and Characterization of a Monomeric Cationic Titanium Hydride","Journal of the American Chemical Society","2004","126","","5668","5669","10.1021/ja048952i","","","0.71073","MoKα","","0.0736","0.0445","","","0.105","0.1176","","","","","","1.035","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112547","10.597","0.003","16.036","0.004","15.346","0.005","90","","92.82","0.011","90","","2604.6","1.3","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C50 H50 B Br F20 N O P Ti -","- C50 H50 B Br F20 N O P Ti -","- C100 H100 B2 Br2 F40 N2 O2 P2 Ti2 -","2","1","","Kuangbiao Ma; Warren E. Piers; Yuan Gao; Masood Parvez","Isolation and Characterization of a Monomeric Cationic Titanium Hydride","Journal of the American Chemical Society","2004","126","","5668","5669","10.1021/ja048952i","","","0.71073","MoKα","","0.052","0.0381","","","0.0926","0.0989","","","","","","1.084","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112548","25.6135","0.0007","25.6135","0.0007","25.6135","0.0007","90","","90","","90","","16803.8","0.8","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","IRMOF-18","","","- C36 H36 O13 Zn4 -","- C36 H36 O13 Zn4 -","- C288 H288 O104 Zn32 -","8","0.0416667","","Jesse L. C. Rowsell; Andrew R. Millward; Kyo Sung Park; Omar M. Yaghi","Hydrogen Sorption in Functionalized Metal-Organic Frameworks","Journal of the American Chemical Society","2004","126","","5666","5667","10.1021/ja049408c","","","0.71073","MoKα","","0.0923","0.073","","","0.2108","0.2255","","","","","","1.078","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112549","6.593","0.002","7.093","0.002","18.765","0.005","90","","91.36","0.02","90","","877.3","0.4","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C16 H26 Cl N O4 -","- C16 H26 Cl N O4 -","- C32 H52 Cl2 N2 O8 -","2","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0593","0.0467","","","0.1135","0.1224","","","","","","0.935","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112550","10.019","0.003","12.966","0.004","23.814","0.009","90","","90","","90","","3093.6","1.8","223","2","223","2","","","","","","","synthesized by the authors, see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 N2 O8 -","- C32 H42 N2 O8 -","- C128 H168 N8 O32 -","4","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0696","0.0498","","0.1235","","0.1138","","","0.904","","","1.029","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112551","6.335","0.003","9.404","0.002","34.399","0.009","90","","90","","90","","2049.3","1.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Cl N O4 -","- C18 H30 Cl N O4 -","- C72 H120 Cl4 N4 O16 -","4","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0769","0.0438","","","0.0986","0.1102","","","","","","0.725","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112552","7.527","0.003","12.89","0.006","18.219","0.007","90","","90","","90","","1767.7","1.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Cl N O4 -","- C16 H26 Cl N O4 -","- C64 H104 Cl4 N4 O16 -","4","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0399","0.0358","","","0.0935","0.0957","","","","","","1.015","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112553","6.54","0.003","13.811","0.005","19.763","0.007","90","","90","","90","","1785.1","1.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Cl N O4 -","- C16 H26 Cl N O4 -","- C64 H104 Cl4 N4 O16 -","4","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0519","0.035","","","0.0777","0.0832","","","","","","0.802","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112554","27.983","0.007","27.983","0.007","27.983","0.007","90","","90","","90","","21912","9","293","2","123","2","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C60 H54 N6 Ni3 O18 -","- C60 H54 N6 Ni3 O18 -","- C480 H432 N48 Ni24 O144 -","8","0.166667","","Darren Bradshaw; Timothy J. Prior; Edmund J. Cussen; John B. Claridge; Matthew J. Rosseinsky","Permanent Microporosity and Enantioselective Sorption in a Chiral Open Framework","Journal of the American Chemical Society","2004","126","","6106","6114","10.1021/ja0316420","","","0.6931","synchrotron","","0.1729","0.1123","","","0.2889","0.3266","","","","","","1.071","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112555","28.3174","0.0004","28.3174","0.0004","28.3174","0.0004","90","","90","","90","","22707","0.6","150","2","150","2","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C63 H72 N6 Ni3 O18 -","- C63 H72 N6 Ni3 O18 -","- C504 H576 N48 Ni24 O144 -","8","0.166667","","Darren Bradshaw; Timothy J. Prior; Edmund J. Cussen; John B. Claridge; Matthew J. Rosseinsky","Permanent Microporosity and Enantioselective Sorption in a Chiral Open Framework","Journal of the American Chemical Society","2004","126","","6106","6114","10.1021/ja0316420","","","0.6975","Synchrotron","","0.0453","0.0435","","","0.1212","0.1227","","","","","","1.173","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112556","28.135","0.0004","28.135","0.0004","28.135","0.0004","90","","90","","90","","22271.1","0.5","150","2","150","2","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C63 H72 N6 Ni3 O18 -","- C63 H72 N6 Ni3 O18 -","- C504 H576 N48 Ni24 O144 -","8","0.166667","","Darren Bradshaw; Timothy J. Prior; Edmund J. Cussen; John B. Claridge; Matthew J. Rosseinsky","Permanent Microporosity and Enantioselective Sorption in a Chiral Open Framework","Journal of the American Chemical Society","2004","126","","6106","6114","10.1021/ja0316420","","","0.6875","Synchrotron","","0.0762","0.0706","","","0.2246","0.2366","","","","","","1.257","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112557","10.8103","0.0004","13.651","0.0005","20.8737","0.001","94.111","0.002","91.262","0.002","113.14","0.002","2821","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 P2 S4 -","- C32 H28 P2 S4 -","- C128 H112 P8 S16 -","4","2","","Claire Fave; Muriel Hissler; Tamás Kárpáti; Joëlle Rault-Berthelot; Valérie Deborde; Loic Toupet; László Nyulászi; Régis Réau","Connecting π-Chromophores by σ-P-P Bonds: New Type of Assemblies Exhibiting σ-π-Conjugation","Journal of the American Chemical Society","2004","126","","6058","6063","10.1021/ja0317067","","","0.71069","MoKα","","0.1284","0.071","","","0.1848","0.2272","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112558","5.582","0.003","8.991","0.006","13.574","0.008","90","","96.75","0.02","90","","676.5","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Zhangjie Shi; Chuan He","An Au-Catalyzed Cyclialkylation of Electron-Rich Arenes with Epoxides To Prepare 3-Chromanols","Journal of the American Chemical Society","2004","126","","5964","5965","10.1021/ja031953a","","","0.71073","MoKα","","0.0689","0.0553","","","0.1067","0.1122","","","","","","1.087","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112559","8.4395","0.0004","16.8558","0.0007","18.3565","0.0008","90","","93.12","0.001","90","","2607.4","0.2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H44 B F4 P2 Rh -","- C22 H44 B F4 P2 Rh -","- C88 H176 B4 F16 P8 Rh4 -","4","2","","Garrett Hoge; He-Ping Wu; William S. Kissel; Derek A. Pflum; Derek J. Greene; Jian Bao","Highly Selective Asymmetric Hydrogenation Using a Three Hindered Quadrant Bisphosphine Rhodium Catalyst","Journal of the American Chemical Society","2004","126","","5966","5967","10.1021/ja048496y","","","0.71073","MoKα","","0.067","0.055","","","0.1125","0.1181","","","","","","1.02","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112560","9.4271","0.0012","9.8702","0.0012","18.813","0.002","90","","90","","90","","1750.5","0.4","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","","Qi-Ying Hu; Pankaj D. Rege; E. J. Corey","Simple, Catalytic Enantioselective Syntheses of Estrone and Desogestrel","Journal of the American Chemical Society","2004","126","","5984","5986","10.1021/ja048808x","","","0.71073","MoKα","","0.0477","0.0372","","","0.0766","0.0798","","","","","","1.011","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112561","9.4733","0.0004","11.9166","0.0005","17.5861","0.0008","90","","90","","90","","1985.29","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 F7 Ir P -","- C17 H27 F7 Ir P -","- C68 H108 F28 Ir4 P4 -","4","1","","Russell P. Hughes; Donghui Zhang; Antony J. Ward; Lev N. Zakharov; Arnold L. Rheingold","Conformational Analysis and Assignments of Relative Stereocenter Configurations in Fluoroalkyl-Iridium Complexes Using 19F{1H} HOESY Experiments. Comparison with Solid-State X-ray Structural Results","Journal of the American Chemical Society","2004","126","","6169","6178","10.1021/ja049225q","","","0.71073","MoKα","","0.052","0.0507","","","0.1175","0.1184","","","","","","1.124","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112562","8.521","0.0007","15.2085","0.0012","14.6563","0.0012","90","","95.585","0.002","90","","1890.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F9 I Ir O -","- C15 H15 F9 I Ir O -","- C60 H60 F36 I4 Ir4 O4 -","4","1","","Russell P. Hughes; Donghui Zhang; Antony J. Ward; Lev N. Zakharov; Arnold L. Rheingold","Conformational Analysis and Assignments of Relative Stereocenter Configurations in Fluoroalkyl-Iridium Complexes Using 19F{1H} HOESY Experiments. Comparison with Solid-State X-ray Structural Results","Journal of the American Chemical Society","2004","126","","6169","6178","10.1021/ja049225q","","","0.71073","MoKα","","0.0523","0.045","","","0.1214","0.128","","","","","","1.004","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112563","9.4637","0.0007","15.4169","0.0007","14.9804","0.0009","90","","90.16","0.002","90","","2185.6","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H24 F9 I Ir P -","- C17 H24 F9 I Ir P -","- C68 H96 F36 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Donghui Zhang; Antony J. Ward; Lev N. Zakharov; Arnold L. Rheingold","Conformational Analysis and Assignments of Relative Stereocenter Configurations in Fluoroalkyl-Iridium Complexes Using 19F{1H} HOESY Experiments. Comparison with Solid-State X-ray Structural Results","Journal of the American Chemical Society","2004","126","","6169","6178","10.1021/ja049225q","","","0.71073","MoKα","","0.0368","0.0364","","","0.0957","0.0961","","","","","","1.068","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112564","13.423","0.011","13.495","0.012","13.817","0.012","91.83","0.03","104.6","0.02","111.29","0.03","2235","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H30 Li3 N3 O6 -","- C16.75 H30 Li3 N3 O6 -","- C67 H120 Li12 N12 O24 -","4","2","","Anne J. McNeil; Gilman E. S. Toombes; Sithamalli V. Chandramouli; Benoit J. Vanasse; Timothy A. Ayers; Michael K. O'Brien; Emil Lobkovsky; Sol M. Gruner; John A. Marohn; David B. Collum","Characterization of β-Amino Ester Enolates as Hexamers via 6Li NMR Spectroscopy","Journal of the American Chemical Society","2004","126","","5938","5939","10.1021/ja049245s","","","0.71073","MoKα","","0.1275","0.0665","","","0.1502","0.1793","","","","","","0.949","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112565","18.1831","0.0006","10.3071","0.0004","18.4641","0.0006","90","","113.812","0.001","90","","3165.88","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H48 N2 O Zr -","- C35 H48 N2 O Zr -","- C140 H192 N8 O4 Zr4 -","4","1","","Denis A. Kissounko; Lawrence R. Sita","Nucleophilic Character of a Charge Neutral, High Oxidation State d0 Zirconium Trimethylenemethane Complex","Journal of the American Chemical Society","2004","126","","5946","5947","10.1021/ja0493897","","","0.71073","MoKα","","0.0361","0.027","","","0.0724","0.0789","","","","","","1.089","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112566","19.3351","0.0008","18.448","0.0008","16.6791","0.0007","90","","112.772","0.001","90","","5485.6","0.4","163","2","163","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 F3 N2 O3 S Zr -","- C24 H41 F3 N2 O3 S Zr -","- C192 H328 F24 N16 O24 S8 Zr8 -","8","2","","Denis A. Kissounko; Lawrence R. Sita","Nucleophilic Character of a Charge Neutral, High Oxidation State d0 Zirconium Trimethylenemethane Complex","Journal of the American Chemical Society","2004","126","","5946","5947","10.1021/ja0493897","","","0.71073","MoKα","","0.0758","0.0357","","","0.0813","0.0966","","","","","","1.059","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112567","11.38","0.003","12.167","0.003","19.528","0.005","90","","104.412","0.005","90","","2618.8","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 Br N O2 -","- C14 H16 Br N O2 -","- C112 H128 Br8 N8 O16 -","8","4","","Yuhei Yamamoto; Norie Momiyama; Hisashi Yamamoto","Enantioselective Tandem O-Nitroso Aldol/Michael Reaction","Journal of the American Chemical Society","2004","126","","5962","5963","10.1021/ja049741g","","","0.71073","MoKα","","0.0711","0.0572","","","0.0988","0.1034","","","","","","1.029","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112568","13.11","0.003","12.268","0.003","19.15","0.004","90","","100.39","0.03","90","","3029.5","1.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H49 O2 -","- C38 H49 O2 -","- C152 H196 O8 -","4","1","","May Xiao-Wu Jiang; Manish Rawat; William D. Wulff","Contingency and Serendipity in the Reactions of Fischer Carbene Complexes with Conjugated Triynes","Journal of the American Chemical Society","2004","126","","5970","5971","10.1021/ja049836i","","","0.71073","MoKα","","0.1957","0.0784","","","0.1828","0.2259","","","","","","1.045","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112569","6.0219","0.0012","9.4637","0.0019","11.002","0.002","86.06","0.03","80.54","0.03","86.94","0.03","616.4","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H13 O2 -","- C17 H13 O2 -","- C34 H26 O4 -","2","1","","May Xiao-Wu Jiang; Manish Rawat; William D. Wulff","Contingency and Serendipity in the Reactions of Fischer Carbene Complexes with Conjugated Triynes","Journal of the American Chemical Society","2004","126","","5970","5971","10.1021/ja049836i","","","0.71073","MoKα","","0.0576","0.049","","","0.1396","0.1441","","","","","","0.944","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112570","18.295","0.002","18.925","0.002","27.004","0.004","78.94","0.004","89.892","0.003","82.579","0.003","9096.6","1.9","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C156 H217 Fe6 N9 Ni2 P4 S26 -","- C155 H208 Fe6 N8.5 Ni2 P4 S26 -","- C310 H416 Fe12 N17 Ni4 P8 S52 -","2","1","","Rashmishree Panda; Yugen Zhang; Craig C. McLauchlan; P. Venkateswara Rao; F. A. Tiago de Oliveira; E. Münck; R. H. Holm","Initial Structure Modification of Tetrahedral to Planar Nickel(II) in a Nickel-Iron-Sulfur Cluster Related to the C-Cluster of Carbon Monoxide Dehydrogenase","Journal of the American Chemical Society","2004","126","","6448","6459","10.1021/ja030627s","","","0.71073","MoKα","","0.1085","0.0471","","","0.0839","0.096","","","","","","0.796","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112571","18.219","0.004","18.485","0.004","27.031","0.005","70.974","0.004","83.543","0.005","79.737","0.005","8454","3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C147 H203.5 Fe6 N4.5 Ni2 P4 S26 -","- C146.25 H202.75 Fe6 N4.5 Ni2 P4 S26 -","- C292.5 H405.5 Fe12 N9 Ni4 P8 S52 -","2","1","","Rashmishree Panda; Yugen Zhang; Craig C. McLauchlan; P. Venkateswara Rao; F. A. Tiago de Oliveira; E. Münck; R. H. Holm","Initial Structure Modification of Tetrahedral to Planar Nickel(II) in a Nickel-Iron-Sulfur Cluster Related to the C-Cluster of Carbon Monoxide Dehydrogenase","Journal of the American Chemical Society","2004","126","","6448","6459","10.1021/ja030627s","","","0.71073","MoKα","","0.1533","0.0637","","","0.1272","0.1651","","","","","","0.965","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112572","9.6554","0.0009","10.6473","0.001","10.7277","0.0012","98.262","0.008","90.685","0.008","115.702","0.007","980","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Fe(OEPO)(1-Me Imidazole)2","","","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","1","0.5","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","The Effects of Axial Ligands on Electron Distribution and Spin States in Iron Complexes of Octaethyloxophlorin, Intermediates in Heme Degradation","Journal of the American Chemical Society","2004","126","","6379","6386","10.1021/ja0316014","","","1.54178","CuKα","","0.0728","0.0578","","","0.145","0.1655","","","","","","1.102","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112573","9.5027","0.0006","10.4786","0.0007","10.5971","0.0008","98.151","0.006","90.643","0.006","115.179","0.005","942.28","0.12","129","2","129","2","","","","","","","","5","P -1","-P 1","2","Fe(OEPO)(1-Me Imidazole)2","","","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","1","0.5","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","The Effects of Axial Ligands on Electron Distribution and Spin States in Iron Complexes of Octaethyloxophlorin, Intermediates in Heme Degradation","Journal of the American Chemical Society","2004","126","","6379","6386","10.1021/ja0316014","","","1.54178","CuKα","","0.057","0.0521","","","0.1306","0.135","","","","","","1.071","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112574","9.4992","0.0014","10.4689","0.0015","10.5854","0.0016","98.14","0.003","90.682","0.003","115.099","0.003","940.6","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Fe(OEPO)(1-Methyl Imidazole)2","","","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","1","0.5","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","The Effects of Axial Ligands on Electron Distribution and Spin States in Iron Complexes of Octaethyloxophlorin, Intermediates in Heme Degradation","Journal of the American Chemical Society","2004","126","","6379","6386","10.1021/ja0316014","","","0.71073","MoKα","","0.0421","0.0349","","","0.0849","0.0872","","","","","","1.077","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112575","20.079","0.002","21.373","0.002","10.5266","0.0011","90","","90","","90","","4517.5","0.8","90","2","90","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Fe(OEPO)(2,6-dimethyl phenylisocyanide)2","","","- C54 H59 Fe N6 O -","- C54 H59 Fe N6 O -","- C216 H236 Fe4 N24 O4 -","4","0.5","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","The Effects of Axial Ligands on Electron Distribution and Spin States in Iron Complexes of Octaethyloxophlorin, Intermediates in Heme Degradation","Journal of the American Chemical Society","2004","126","","6379","6386","10.1021/ja0316014","","","0.71073","MoKα","","0.0472","0.0359","","","0.0883","0.0922","","","","","","1.073","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112576","12.5307","0.0003","12.6669","0.0003","13.3386","0.0003","73.288","0.001","77.648","0.001","75.687","0.001","1941.4","0.08","121","2","121","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H73 N P3 Re Si2 -","- C33 H73 N P3 Re Si2 -","- C66 H146 N2 P6 Re2 Si4 -","2","1","","Oleg V. Ozerov; Lori A. Watson; Maren Pink; Kenneth G. Caulton","Transformation of Acyclic Alkenes to Hydrido Carbynes by (PNPR)Re Complexes","Journal of the American Chemical Society","2004","126","","6363","6378","10.1021/ja031617u","","","0.71073","MoKα","","0.0407","0.0311","","","0.0588","0.0618","","","","","","1.019","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4112577","18.02","0.004","22.933","0.005","9.7801","0.0014","90","","108.509","0.011","90","","3832.6","1.3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H40 Cl2 N4 O2 -","- C43 H40 Cl2 N4 O2 -","- C172 H160 Cl8 N16 O8 -","4","0.5","","Shih-Sheng Sun; Charlotte L. Stern; SonBinh T. Nguyen; Joseph T. Hupp","Directed Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Components. Examples of Metalation-Controlled Structural Conversion","Journal of the American Chemical Society","2004","126","","6314","6326","10.1021/ja037378s","","","0.71073","MoKα","","0.0681","0.0542","","","0.1468","0.1625","","","","","","1.038","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112578","11.323","0.003","21.521","0.009","26.931","0.01","90","","91.53","0.03","90","","6560","4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C212 H316 F24 N20 O40 P8 Pt4 S8 -","- C212 H310 F24 N20 O40 P8 Pt4 S8 -","- C212 H310 F24 N20 O40 P8 Pt4 S8 -","1","0.25","","Shih-Sheng Sun; Charlotte L. Stern; SonBinh T. Nguyen; Joseph T. Hupp","Directed Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Components. Examples of Metalation-Controlled Structural Conversion","Journal of the American Chemical Society","2004","126","","6314","6326","10.1021/ja037378s","","","0.71073","MoKα","","0.1208","0.0877","","","0.2265","0.2453","","","","","","1.098","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112579","14.0905","0.0015","18.562","0.002","20.621","0.002","81.74","0.002","79.988","0.002","85.836","0.002","5249.9","0.9","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H63 F3 N4 O6 P2 Pt S -","- C55 H63 F3 N4 O6 P2 Pt S -","- C110 H126 F6 N8 O12 P4 Pt2 S2 -","2","1","","Shih-Sheng Sun; Charlotte L. Stern; SonBinh T. Nguyen; Joseph T. Hupp","Directed Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Components. Examples of Metalation-Controlled Structural Conversion","Journal of the American Chemical Society","2004","126","","6314","6326","10.1021/ja037378s","","","0.71073","MoKα","","0.1682","0.1064","","","0.2788","0.3373","","","","","","1.005","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112580","13.163","0.002","22.472","0.004","24.798","0.004","94.923","0.003","101.5","0.002","93.843","0.003","7135","2","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C104.5 H122 F10.5 N9.5 O19 P4 Pt2 S3.5 -","- C104.5 H122 F10.5 N9.5 O19 P4 Pt2 S3.5 -","- C209 H244 F21 N19 O38 P8 Pt4 S7 -","2","1","","Shih-Sheng Sun; Charlotte L. Stern; SonBinh T. Nguyen; Joseph T. Hupp","Directed Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Components. Examples of Metalation-Controlled Structural Conversion","Journal of the American Chemical Society","2004","126","","6314","6326","10.1021/ja037378s","","","0.71073","MoKα","","0.1305","0.0739","","","0.1803","0.1993","","","","","","0.9","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112581","7.192","0.004","9.719","0.005","10.504","0.006","74.203","0.018","87.53","0.03","75.58","0.02","684","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","difluoro[2-(phenylazo)phenyl]-2-propenylsilane","","","- C15 H14 F2 N2 Si -","- C15 H14 F2 N2 Si -","- C30 H28 F4 N4 Si2 -","2","1","","Naokazu Kano; Masaki Yamamura; Takayuki Kawashima","Reactivity Control of an Allylsilane Bearing a 2-(Phenylazo)phenyl Group by Photoswitching of the Coordination Number of Silicon","Journal of the American Chemical Society","2004","126","","6250","6251","10.1021/ja037404m","","","0.7107","MoKα","","0.0462","0.0382","","","0.0878","0.0921","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112582","9.522","0.005","11.167","0.005","20.225","0.01","86.45","0.03","76.75","0.03","67.67","0.02","1935.6","1.7","120","2","120","2","","","","","","","","8","P -1","-P 1","2","potassium tetrafluoro{2-[2-phenyl-1-(2-propenyl)-hydrazino]phenyl}silicate, 18-crown-6","","","- C29 H41 Cl6 F4 K N2 O6 Si -","- C29 H41 Cl6 F4 K N2 O6 Si -","- C58 H82 Cl12 F8 K2 N4 O12 Si2 -","2","1","","Naokazu Kano; Masaki Yamamura; Takayuki Kawashima","Reactivity Control of an Allylsilane Bearing a 2-(Phenylazo)phenyl Group by Photoswitching of the Coordination Number of Silicon","Journal of the American Chemical Society","2004","126","","6250","6251","10.1021/ja037404m","","","0.7107","MoKα","","0.042","0.0378","","","0.0859","0.0883","","","","","","1.077","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112583","19.02","0.01","25.03","0.02","24.65","0.02","90","","97.86","0.02","90","","11625","15","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","final110K","","","- C108 H122 Co3 Fe2 N24 O13 -","- C108 H96 Co3 Fe2 N24 O13 -","- C432 H384 Co12 Fe8 N96 O52 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Sieber, Andreas; José Ramón Galán-Mascarós; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in the Discrete Cyanide-Bridged Complex {[Co(tmphen)2]3[Fe(CN)6]2}","Journal of the American Chemical Society","2004","126","","6222","6223","10.1021/ja039451k","","","0.71073","MoKα","","0.1219","0.076","","","0.2058","0.2358","","","","","","1.035","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112584","19.261","0.004","25.123","0.005","24.782","0.005","90","","97.74","0.03","90","","11883","4","210","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","final220K","","","- C108 H114 Co3 Fe2 N24 O9 -","- C108 H96 Co3 Fe2 N24 O8.99 -","- C432 H384 Co12 Fe8 N96 O35.96 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Sieber, Andreas; José Ramón Galán-Mascarós; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in the Discrete Cyanide-Bridged Complex {[Co(tmphen)2]3[Fe(CN)6]2}","Journal of the American Chemical Society","2004","126","","6222","6223","10.1021/ja039451k","","","0.71073","MoKα","","0.1076","0.0765","","","0.2234","0.2545","","","","","","1.034","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112585","14.066","0.003","15.48","0.003","16.147","0.003","90","","92.652","0.004","90","","3512.1","1.2","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 La N3 -","- C36 H54 La N3 -","- C144 H216 La4 N12 -","4","1","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; P. Jeffrey Hay; Brian L. Scott; C. Drew Tait","A Comparative Study of π-Arene-Bridged Lanthanum Arylamide and Aryloxide Dimers. Solution Behavior, Exchange Mechanisms, and X-ray Crystal Structures of La2(NH-2,6-iPr2C6H3)6, La(NH-2,6-iPr2C6H3)3(THF)3, and La(NH-2,6-iPr2C6H3)3(py)2","Journal of the American Chemical Society","2004","126","","6387","6401","10.1021/ja0398262","","","0.71073","MoKα","","0.0644","0.0452","","","0.0758","0.0792","","","","","","1.223","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112586","13.137","0.004","16.922","0.004","13.442","0.003","90","","119.253","0.003","90","","2607.1","1.2","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H86 La N3 O4 -","- C48 H78 La N3 O3 -","- C96 H156 La2 N6 O6 -","2","1","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; P. Jeffrey Hay; Brian L. Scott; C. Drew Tait","A Comparative Study of π-Arene-Bridged Lanthanum Arylamide and Aryloxide Dimers. Solution Behavior, Exchange Mechanisms, and X-ray Crystal Structures of La2(NH-2,6-iPr2C6H3)6, La(NH-2,6-iPr2C6H3)3(THF)3, and La(NH-2,6-iPr2C6H3)3(py)2","Journal of the American Chemical Society","2004","126","","6387","6401","10.1021/ja0398262","","","0.71073","MoKα","","0.0554","0.048","","","0.0956","0.0973","","","","","","1.274","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112587","16.013","0.006","14.159","0.005","21.202","0.006","90","","112.122","0.011","90","","4453","3","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H64 La N5 -","- C46 H64 La N5 -","- C184 H256 La4 N20 -","4","2","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; P. Jeffrey Hay; Brian L. Scott; C. Drew Tait","A Comparative Study of π-Arene-Bridged Lanthanum Arylamide and Aryloxide Dimers. Solution Behavior, Exchange Mechanisms, and X-ray Crystal Structures of La2(NH-2,6-iPr2C6H3)6, La(NH-2,6-iPr2C6H3)3(THF)3, and La(NH-2,6-iPr2C6H3)3(py)2","Journal of the American Chemical Society","2004","126","","6387","6401","10.1021/ja0398262","","","0.71073","MoKα","","0.0298","0.0279","","","0.0719","0.0727","","","","","","1.164","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112588","51.9205","0.0008","4.4025","0.0001","14.5118","0.0003","90","","101.48","0.001","90","","3250.75","0.11","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Cs Bi4 Te6","","","- Bi4 Cs Te6 -","- Bi4 Cs Te6 -","- Bi32 Cs8 Te48 -","8","1","","Duck-Young Chung; Tim P. Hogan; Melissa Rocci-Lane; Paul Brazis; John R. Ireland; Carl R. Kannewurf; Marina Bastea; Ctirad Uher; Mercouri G. Kanatzidis","A New Thermoelectric Material: CsBi4Te6","Journal of the American Chemical Society","2004","126","","6414","6428","10.1021/ja039885f","","","0.71069","MoKα","","0.0585","0.0434","","0.1127","0.1017","","","","1.05","1.096","1.096","","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112589","8.4206","0.0014","11.8965","0.0019","20.622","0.003","90","","90","","90","","2065.8","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C92 H100 N4 O20 -","4","1","","Leleti Rajender Reddy; P. Saravanan; E. J. Corey","A Simple Stereocontrolled Synthesis of Salinosporamide A","Journal of the American Chemical Society","2004","126","","6230","6231","10.1021/ja048613p","","","0.71073","MoKα","","0.1193","0.0411","","","0.0441","0.0544","","","","","","0.774","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112590","26.3682","0.0017","14.3569","0.0009","32.485","0.002","90","","90","","90","","12297.7","1.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","{[PhBPiPr3]Fe}2(?-N2)","","","- C54 H97 B2 Fe2 N2 P6 -","- C54 H97 B2 Fe2 N2 P6 -","- C432 H776 B16 Fe16 N16 P48 -","8","2","","Theodore A. Betley; Jonas C. Peters","A Tetrahedrally Coordinated L3Fe-Nx Platform that Accommodates Terminal Nitride (FeIV\τbN) and Dinitrogen (FeI-N2-FeI) Ligands","Journal of the American Chemical Society","2004","126","","6252","6254","10.1021/ja048713v","","","0.71073","MoKα","","0.0758","0.0504","","","0.0973","0.1019","","","","","","1.645","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112591","11.024","0.0009","13.4574","0.0011","13.7499","0.0011","87.377","0.002","75.603","0.001","83.956","0.002","1964.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[PhBPiPr3]FeNPh2","","","- C39 H63 B Fe N P3 -","- C39 H63 B Fe N P3 -","- C78 H126 B2 Fe2 N2 P6 -","2","1","","Theodore A. Betley; Jonas C. Peters","A Tetrahedrally Coordinated L3Fe-Nx Platform that Accommodates Terminal Nitride (FeIV\τbN) and Dinitrogen (FeI-N2-FeI) Ligands","Journal of the American Chemical Society","2004","126","","6252","6254","10.1021/ja048713v","","","0.71073","MoKα","","0.0841","0.0448","","","0.0797","0.0906","","","","","","1.273","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112592","10.201","0.002","14.015","0.003","14.074","0.003","86.764","0.004","76.115","0.004","69.759","0.004","1831.9","0.7","90","2","90","2","","","","","","","","6","P -1","-P 1","2","Fe(OEB)Cl.CHCl3","","","- C36 H44 Cl4 Fe N4 O2 -","- C36 H44 Cl4 Fe N4 O2 -","- C72 H88 Cl8 Fe2 N8 O4 -","2","1","","Khoi T. Nguyen; Sankar Prasad Rath; Lechosław Latos-Grażyński; Marilyn M. Olmstead; Alan L. Balch","Formation of a Highly Oxidized Iron Biliverdin Complex upon Treatment of a Five-Coordinate Verdoheme with Dioxygen","Journal of the American Chemical Society","2004","126","","6210","6211","10.1021/ja049222d","","","0.71073","MoKα","","0.0691","0.0447","","","0.1142","0.1256","","","","","","1.02","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112593","5.0446","0.0008","9.8623","0.0016","31.428","0.005","90","","90","","90","","1563.6","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N O7 -","- C12 H23 N O7 -","- C48 H92 N4 O28 -","4","1","","K. C. Nicolaou; Scott A. Snyder; Annie Z. Nalbandian; Deborah A. Longbottom","A New Method for the Stereoselective Synthesis of α- and β-Glycosylamines Using the Burgess Reagent","Journal of the American Chemical Society","2004","126","","6234","6235","10.1021/ja049293c","","","0.71073","MoKα","","0.101","0.0529","","","0.1169","0.1377","","","","","","1.023","","","","has coordinates","295975","2024-11-17","20:37:01",""
"4112594","8.4206","0.0009","10.0277","0.0011","12.883","0.0014","98.302","0.002","92.386","0.002","110.468","0.002","1003.48","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H11 N O6 S -","- C7 H11 N O6 S -","- C28 H44 N4 O24 S4 -","4","2","","K. C. Nicolaou; Scott A. Snyder; Annie Z. Nalbandian; Deborah A. Longbottom","A New Method for the Stereoselective Synthesis of α- and β-Glycosylamines Using the Burgess Reagent","Journal of the American Chemical Society","2004","126","","6234","6235","10.1021/ja049293c","","","0.71073","MoKα","","0.066","0.0527","","","0.1336","0.1437","","","","","","1.078","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112595","9.3171","0.0002","11.5016","0.0003","20.4556","0.0007","80.867","0.005","80.186","0.005","77.429","0.005","2091.27","0.11","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H31 N7 O7 -","- C55 H30 N7 O7 -","- C110 H60 N14 O14 -","2","1","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","Mo-Kα","","0.148","0.071","","0.246","","0.083","","","1.395","","","1.123","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112596","26.825","","11.593","","9.322","","90","","93.6","","90","","2893.26","","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 N6 -","- C40 H24 N6 -","- C160 H96 N24 -","4","0.5","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","MoKα","","0.1305","0.0551","","","0.1391","0.1739","","","","","","0.839","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112597","11.161","","13.733","","14.107","","67.5","","74.02","","71.86","","1868.09","","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H27 F3 N6 O3 S -","- C43 H27 F3 N6 O4 S -","- C86 H54 F6 N12 O8 S2 -","2","1","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","MoKα","","0.2789","0.1739","","","0.3292","0.3604","","","","","","1.697","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112598","13.31","0.003","13.49","0.003","16.66","0.003","81.15","0.03","74.62","0.03","80.74","0.03","2827.1","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 Cl3 F6 N4 O4 -","- C29.5 H22.5 Cl2.995 F3 N3 O2.5 -","- C118 H90 Cl11.98 F12 N12 O10 -","4","2","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","MoKα","","0.1371","0.1171","","","0.3123","0.3282","","","","","","1.08","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112599","13.2654","0.0002","18.726","0.0003","19.6692","0.0004","90","","90","","90","","4885.98","0.15","173","","173","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C51 H35 F6 N7 O8 S2 Zn -","- C51 H35 F6 N7 O8 S2 Zn -","- C204 H140 F24 N28 O32 S8 Zn4 -","4","0.5","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","Mo-Kα","","0.095","0.033","","0.516","","0.056","","","1.251","","","1.046","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112600","13.0955","0.0002","13.1668","0.0002","15.9645","0.0003","75.685","0.005","84.946","0.005","64.653","0.005","2409.96","0.13","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H35 F6 N7 O7 S2 Zn -","- C55 H35 F6 N7 O7 S2 Zn -","- C110 H70 F12 N14 O14 S4 Zn2 -","2","1","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","Mo-Kα","","0.104","0.037","","0.167","","0.039","","","1.356","","","1.015","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112601","36.15","0.09","10.09","0.05","20.68","0.06","90","","98.94","0.04","90","","7451","5","113","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H78 N4 O4 Pd -","- C92 H72 N4 O4 Pd -","- C368 H288 N16 O16 Pd4 -","4","0.5","","Tetsuo Iwasawa; Makoto Tokunaga; Yasushi Obora; Yasushi Tsuji","Homogeneous Palladium Catalyst Suppressing Pd Black Formation in Air Oxidation of Alcohols","Journal of the American Chemical Society","2004","126","","6554","6555","10.1021/ja031936l","","","0.7107","MoKα","","","0.067","","","","0.093","","","","","","1.373","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112602","25.2946","0.0013","38.864","0.0011","50.4327","0.0019","90","","93.234","0.002","90","","49499","3","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C378 H475 F24 N8 O76.5 P8 Pt4 S8 -","- C353 H304 F24 N8 O64 P8 Pt4 S8 -","- C1412 H1216 F96 N32 O256 P32 Pt16 S32 -","4","1","","Roberta Pinalli; Veronica Cristini; Valerio Sottili; Silvano Geremia; Mara Campagnolo; Andrea Caneschi; Enrico Dalcanale","Cavitand-Based Nanoscale Coordination Cages","Journal of the American Chemical Society","2004","126","","6516","6517","10.1021/ja038694+","","","1.2","synchrotron","","0.1319","0.11","","","0.2752","0.2971","","","","","","1.159","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112603","10.495","0.0005","15.2421","0.0007","14.1054","0.0006","90","","94.715","0.001","90","","2248.75","0.18","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 B N7 O2 P W -","- C19 H27 B N7 O2 P W -","- C76 H108 B4 N28 O8 P4 W4 -","4","1","","Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman","Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments","Journal of the American Chemical Society","2004","126","","6806","6815","10.1021/ja039824h","","","0.71073","MoKα","","0.0358","0.0269","","","0.0573","0.0594","","","","","","0.956","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112604","12.275","0.001","12.9206","0.001","14.7993","0.0012","90","","109.285","0.002","90","","2215.5","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 B N8 O2 Re -","- C21 H24 B N8 O2 Re -","- C84 H96 B4 N32 O8 Re4 -","4","1","","Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman","Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments","Journal of the American Chemical Society","2004","126","","6806","6815","10.1021/ja039824h","","","0.71073","MoKα","","0.0379","0.0279","","","0.0589","0.061","","","","","","0.955","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112605","35.3637","0.0012","35.3637","0.0012","9.8575","0.0005","90","","90","","120","","10676.1","0.7","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C34 H44 B2 N16 O2 Re2 -","- C34 H44 B2 N16 O2 Re2 -","- C306 H396 B18 N144 O18 Re18 -","9","0.5","","Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman","Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments","Journal of the American Chemical Society","2004","126","","6806","6815","10.1021/ja039824h","","","0.71073","MoKα","","0.0352","0.0285","","","0.077","0.0791","","","","","","0.97","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112606","53.796","0.003","15.2193","0.0007","29.8943","0.0013","90","","109.909","0.001","90","","23012.8","1.9","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","1.(PF6)2.3C6H6","","","- C126 H87 Au F12 N6 P8 Pd Tl -","- C126 H87 Au F12 N6 P8 Pd Tl -","- C1008 H696 Au8 F96 N48 P64 Pd8 Tl8 -","8","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.0554","0.0493","","","0.1409","0.1436","","","","","","1.415","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112607","17.1939","0.0005","30.6021","0.0008","20.6077","0.0006","90","","90.02","0.001","90","","10843.1","0.5","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","1.(PF6)2.2CHCl3.2CH2Cl2","","","- C112 H84 Au Cl10 F12 N6 P8 Pd Tl -","- C112 H84 Au Cl10 F12 N6 P8 Pd Tl -","- C448 H336 Au4 Cl40 F48 N24 P32 Pd4 Tl4 -","4","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.1605","0.1572","","","0.3925","0.393","","","","","","5.671","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112608","17.5229","0.0013","29.432","0.002","19.2201","0.0014","90","","92.479","0.001","90","","9903.2","1.2","123","2","123","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","1.(BF4)2.2.5CH2Cl2","","","- C110.5 H84 Au B2 Cl5 F8 N6 P6 Pd Tl -","- C110.5 H84 Au B2 Cl5 F8 N6 P6 Pd Tl -","- C442 H336 Au4 B8 Cl20 F32 N24 P24 Pd4 Tl4 -","4","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.0887","0.0555","","","0.1421","0.1583","","","","","","1.179","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112609","27.3585","0.0014","26.8697","0.0015","29.4776","0.0016","90","","90","","90","","21669","2","123","2","123","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","1.Cl2.4.5CH2Cl2","","","- C112.5 H87 Au Cl11 N6 O0 P6 Pd Tl -","- C112.5 H87 Au Cl11 N6 P6 Pd Tl -","- C900 H696 Au8 Cl88 N48 P48 Pd8 Tl8 -","8","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.0858","0.0593","","","0.167","0.1827","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112610","19.1672","0.001","30.7091","0.0017","19.2514","0.0011","90","","95.584","0.002","90","","11277.7","1.1","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","2.(PF6)2.3CHCl3.6H2O","","","- C111 H93 Au Cl9 F12 N6 O6 P8 Pt Tl -","- C111 H93 Au Cl9 F12 N6 O6 P8 Pt Tl -","- C444 H372 Au4 Cl36 F48 N24 O24 P32 Pt4 Tl4 -","4","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.072","0.0686","","","0.1606","0.1624","","","","","","1.21","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112611","19.187","0.002","19.87","0.002","11.6382","0.0014","90","","93.822","0.004","90","","4427.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H82 Fe N9 O3 S -","- C37 H82 Fe N9 O3 S -","- C148 H328 Fe4 N36 O12 S4 -","4","1","","Peter L. Larsen; Rajeev Gupta; Douglas R. Powell; Andrew S. Borovik","Chalcogens as Terminal Ligands to Iron: Synthesis and Structure of Complexes with FeIII-S and FeIII-Se Motifs","Journal of the American Chemical Society","2004","126","","6522","6523","10.1021/ja049118w","","","0.71073","MoKα","","0.1018","0.0767","","","0.2219","0.2503","","","","","","1.025","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112612","19.11","0.002","19.85","0.002","11.8266","0.0016","90","","94.027","0.004","90","","4475.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H82 Fe N9 O3 Se -","- C37 H82 Fe N9 O3 Se -","- C148 H328 Fe4 N36 O12 Se4 -","4","1","","Peter L. Larsen; Rajeev Gupta; Douglas R. Powell; Andrew S. Borovik","Chalcogens as Terminal Ligands to Iron: Synthesis and Structure of Complexes with FeIII-S and FeIII-Se Motifs","Journal of the American Chemical Society","2004","126","","6522","6523","10.1021/ja049118w","","","0.71073","MoKα","","0.1108","0.083","","","0.237","0.2594","","","","","","1.022","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112613","8.724","0.0003","8.724","0.0003","33.476","0.002","90","","90","","120","","2206.46","0.17","173.2","","","","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C16 H42 Cl2 Co N4 O14 -","- C16 H42 Cl2 Co N4 O14 -","- C48 H126 Cl6 Co3 N12 O42 -","3","0.5","","Hiroyuki Miyake; Kana Yoshida; Hideki Sugimoto; Hiroshi Tsukube","Dynamic Helicity Inversion by Achiral Anion Stimulus in Synthetic Labile Cobalt(II) Complex","Journal of the American Chemical Society","2004","126","","6524","6525","10.1021/ja049130o","","","0.7107","MoKα","","","0.0451","","","","0.1399","","","","","","1.199","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112614","7.7333","0.0005","11.6472","0.0008","32.483","0.002","90","","90","","90","","2925.8","0.3","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41 Co N7 O8 -","- C20 H41 Co N7 O8 -","- C80 H164 Co4 N28 O32 -","4","1","","Hiroyuki Miyake; Kana Yoshida; Hideki Sugimoto; Hiroshi Tsukube","Dynamic Helicity Inversion by Achiral Anion Stimulus in Synthetic Labile Cobalt(II) Complex","Journal of the American Chemical Society","2004","126","","6524","6525","10.1021/ja049130o","","","0.7107","MoKα","","","0.0495","","","","0.1027","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112615","23.9746","0.0016","11.6981","0.0007","25.186","0.002","90","","107.243","0.004","90","","6746.1","0.8","91","2","91","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Dipp*Ge(NSiMe3)]2.n-hexane","","","- C72 H106 Ge2 N2 Si2 -","- C72 H92 Ge2 N2 Si2 -","- C288 H368 Ge8 N8 Si8 -","4","0.5","","Chunming Cui; Marcin Brynda; Marilyn M. Olmstead; Philip P. Power","Synthesis and Characterization of the Non-Kekulé, Singlet Biradicaloid Ar'Ge(μ-NSiMe3)2GeAr' (Ar' = 2,6-Dipp2C6H3, Dipp = 2,6-i-Pr2C6H3)","Journal of the American Chemical Society","2004","126","","6510","6511","10.1021/ja0492182","","","0.71073","MoKα","","0.0619","0.0385","","","0.092","0.1056","","","","","","1.062","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112616","11.98","0.003","13.445","0.004","14.468","0.005","87.5","0.01","87.78","0.01","65.182","0.009","2112.6","1.1","123.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C108 H76 F8 N8 -","- C108 H76 F8 N8 -","- C108 H76 F8 N8 -","1","0.5","","Azusa Kikuchi; Fumiyasu Iwahori; Jiro Abe","Definitive Evidence for the Contribution of Biradical Character in a Closed-Shell Molecule, Derivative of 1,4-Bis-(4,5-diphenylimidazol-2-ylidene)cyclohexa-2,5-diene","Journal of the American Chemical Society","2004","126","","6526","6527","10.1021/ja049423h","","","0.7107","MoKα","","","0.062","","","","0.0806","","","","","","1.404","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112617","16.249","0.002","16.659","0.002","16.959","0.002","90.301","0.002","108.949","0.002","107.42","0.002","4116","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","00173","","","- C84 H88 Br4 O4 -","- C84 H88 Br4 O4 -","- C168 H176 Br8 O8 -","2","1","","Suchada Rajca; Andrzej Rajca; Jirawat Wongsriratanakul; Paul Butler; Sung-min Choi","Organic Spin Clusters. A Dendritic-Macrocyclic Poly(arylmethyl) Polyradical with Very High Spin of S= 10 and Its Derivatives: Synthesis, Magnetic Studies, and Small-Angle Neutron Scattering","Journal of the American Chemical Society","2004","126","","6972","6986","10.1021/ja031548j","","","0.71073","MoKα","","0.0863","0.0415","","","0.0847","0.0959","","","","","","0.968","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4112618","11.2997","0.0005","21.8937","0.0009","20.9096","0.0009","90","","101.316","0.001","90","","5072.3","0.4","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C94.5 H14 La S5 -","- C94.5 H14 La S5 -","- C378 H56 La4 S20 -","4","1","","Yutaka Maeda; Yoichiro Matsunaga; Takatsugu Wakahara; Satomi Takahashi; Takahiro Tsuchiya; Midori O. Ishitsuka; Tadashi Hasegawa; Takeshi Akasaka; Michael T. H. Liu; Kisato Kokura; Ernst Horn; Kenji Yoza; Tatsuhisa Kato; Shingo Okubo; Kaoru Kobayashi; Shigeru Nagase; Kazunori Yamamoto","Isolation and Characterization of a Carbene Derivative of La@C82","Journal of the American Chemical Society","2004","126","","6858","6859","10.1021/ja0316115","","","0.71073","MoKα","","0.1083","0.0903","","","0.23","0.2439","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112619","11.3213","0.0005","21.9299","0.0009","20.9749","0.0009","90","","101.184","0.001","90","","5108.6","0.4","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C94.5 H14 La S5 -","- C94.5 H14 La S5 -","- C378 H56 La4 S20 -","4","1","","Yutaka Maeda; Yoichiro Matsunaga; Takatsugu Wakahara; Satomi Takahashi; Takahiro Tsuchiya; Midori O. Ishitsuka; Tadashi Hasegawa; Takeshi Akasaka; Michael T. H. Liu; Kisato Kokura; Ernst Horn; Kenji Yoza; Tatsuhisa Kato; Shingo Okubo; Kaoru Kobayashi; Shigeru Nagase; Kazunori Yamamoto","Isolation and Characterization of a Carbene Derivative of La@C82","Journal of the American Chemical Society","2004","126","","6858","6859","10.1021/ja0316115","","","0.71073","MoKα","","0.1229","0.0896","","","0.2269","0.2488","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112620","11.3249","0.0005","21.9882","0.001","21.0171","0.001","90","","100.935","0.001","90","","5138.5","0.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C94.5 H14 La S5 -","- C94.5 H14 La S5 -","- C378 H56 La4 S20 -","4","1","","Yutaka Maeda; Yoichiro Matsunaga; Takatsugu Wakahara; Satomi Takahashi; Takahiro Tsuchiya; Midori O. Ishitsuka; Tadashi Hasegawa; Takeshi Akasaka; Michael T. H. Liu; Kisato Kokura; Ernst Horn; Kenji Yoza; Tatsuhisa Kato; Shingo Okubo; Kaoru Kobayashi; Shigeru Nagase; Kazunori Yamamoto","Isolation and Characterization of a Carbene Derivative of La@C82","Journal of the American Chemical Society","2004","126","","6858","6859","10.1021/ja0316115","","","0.71073","MoKα","","0.153","0.1452","","","0.3389","0.3448","","","","","","1.203","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112621","11.318","0.007","11.675","0.007","13.253","0.008","93.94","0.02","97.22","0.02","106.93","0.02","1651.8","1.8","297","2","297","2","","","","","","","","5","P -1","-P 1","2","CpRuH(PP^Ph^PF)","","","- C42 H38 Fe P2 Ru -","- C42 H38 Fe P2 Ru -","- C84 H76 Fe2 P4 Ru2 -","2","1","","Ester Cayuela; Félix A. Jalón; Blanca R. Manzano; Gustavo Espino; Walter Weissensteiner; Kurt Mereiter","Monocyclopentadienylhydride Derivatives of Ruthenium: Stereoselective Proton Transfer and Proton-Hydride Exchange in an Extremely Short Dihydrogen Bond","Journal of the American Chemical Society","2004","126","","7049","7062","10.1021/ja031926k","","","0.71073","MoKα","","0.0431","0.0329","","","0.0793","0.088","","","","","","1.048","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112622","11.35","0.005","11.543","0.005","16.084","0.007","82.07","0.02","88.66","0.02","62.05","0.02","1841.6","1.4","297","2","297","2","","","","","","","","7","P -1","-P 1","2","CpRu(CF3CO2)(PP^Ph^PF)","","","- C44 H37 F3 Fe O2 P2 Ru -","- C44 H37 F3 Fe O2 P2 Ru -","- C88 H74 F6 Fe2 O4 P4 Ru2 -","2","1","","Ester Cayuela; Félix A. Jalón; Blanca R. Manzano; Gustavo Espino; Walter Weissensteiner; Kurt Mereiter","Monocyclopentadienylhydride Derivatives of Ruthenium: Stereoselective Proton Transfer and Proton-Hydride Exchange in an Extremely Short Dihydrogen Bond","Journal of the American Chemical Society","2004","126","","7049","7062","10.1021/ja031926k","","","0.71073","MoKα","","0.0449","0.0328","","","0.083","0.0901","","","","","","1.016","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112623","10.3814","0.0002","18.4524","0.0003","30.1861","0.0007","90","","92.957","0.001","90","","5774.8","0.2","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 Br2 Ir N2 O2 S2 -","- C31 H21 Br2 Ir N2 O2 S2 -","- C248 H168 Br16 Ir8 N16 O16 S16 -","8","2","","Albertus J. Sandee; Charlotte K. Williams; Nicholas R. Evans; John E. Davies; Clare E. Boothby; Anna Köhler; Richard H. Friend; Andrew B. Holmes","Solution-Processible Conjugated Electrophosphorescent Polymers","Journal of the American Chemical Society","2004","126","","7041","7048","10.1021/ja039445o","","","0.71073","MoKα","","0.103","0.0787","","","0.2","0.2204","","","","","","1.219","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112624","9.8665","0.0015","12.1832","0.0018","16.897","0.003","90","","90","","90","","2031.1","0.6","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","","Jason J. Shiers; Michael Shipman; Jerome F. Hayes; Alexandra M. Z. Slawin","Rare Example of Nucleophilic Substitution at Vinylic Carbon with Inversion: Mechanism of Methyleneaziridine Formation by Sodium Amide Induced Ring Closure Revisited","Journal of the American Chemical Society","2004","126","","6868","6869","10.1021/ja0482684","","","0.71073","MoKα","","0.0506","0.0368","","","0.0763","0.0812","","","","","","0.99","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112625","7.4715","0.0008","11.4568","0.0012","21.543","0.002","90","","94.321","0.002","90","","1838.8","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Jason J. Shiers; Michael Shipman; Jerome F. Hayes; Alexandra M. Z. Slawin","Rare Example of Nucleophilic Substitution at Vinylic Carbon with Inversion: Mechanism of Methyleneaziridine Formation by Sodium Amide Induced Ring Closure Revisited","Journal of the American Chemical Society","2004","126","","6868","6869","10.1021/ja0482684","","","0.71073","MoKα","","0.0383","0.0331","","","0.0788","0.0821","","","","","","1.037","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112626","19.139","0.003","19.139","0.003","18.5941","0.0013","90","","90","","120","","5898.5","1.4","170","2","170","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C66 H126 N6 O42 U3 -","- C66 H108 N6 O42 U3 -","- C132 H216 N12 O84 U6 -","2","0.166667","","Pierre Thuéry; Claude Villiers; Joël Jaud; Michel Ephritikhine; Bernardo Masci","Uranyl-Based Metallamacrocycles: Tri- and Tetranuclear Complexes with (2R,3R,4S,5S)-Tetrahydrofurantetracarboxylic Acid","Journal of the American Chemical Society","2004","126","","6838","6839","10.1021/ja0485964","","","0.71073","MoKα","","0.1258","0.0644","","","0.1645","0.1998","","","","","","1.06","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112627","15.9353","0.0016","15.9353","0.0016","23.817","0.003","90","","90","","90","","6047.9","1.1","180","2","180","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C82 H156 N8 O48 U4 -","- C82 H144 N8 O48 U4 -","- C164 H288 N16 O96 U8 -","2","0.125","","Pierre Thuéry; Claude Villiers; Joël Jaud; Michel Ephritikhine; Bernardo Masci","Uranyl-Based Metallamacrocycles: Tri- and Tetranuclear Complexes with (2R,3R,4S,5S)-Tetrahydrofurantetracarboxylic Acid","Journal of the American Chemical Society","2004","126","","6838","6839","10.1021/ja0485964","","","0.71073","MoKα","","0.1254","0.0627","","","0.1323","0.1669","","","","","","1.071","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112628","17.3108","0.0007","18.1981","0.0009","40.7902","0.0013","90","","90","","90","","12849.9","0.9","293.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C152 H112.5 F6 N O4.25 P -","- C152 H102 F6 N O4.25 P -","- C608 H408 F24 N4 O17 P4 -","4","1","","Takashi Ooi; Daisuke Ohara; Masazumi Tamura; Keiji Maruoka","Design of New Chiral Phase-Transfer Catalysts with Dual Functions for Highly Enantioselective Epoxidation of α,β-Unsaturated Ketones","Journal of the American Chemical Society","2004","126","","6844","6845","10.1021/ja048600b","","","0.7107","MoKα","","","0.081","","","","0.12","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112629","18.0416","0.0003","24.7309","0.0002","18.9007","0.0003","90","","111.682","0.001","90","","7836.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78.5 H67 Cl5 O Os P4 -","- C78.5 H63 Cl5 O Os P4 -","- C314 H252 Cl20 O4 Os4 P16 -","4","1","","Haiping Xia; Guomei He; Hong Zhang; Ting Bin Wen; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Osmabenzenes from the Reactions of HC\τbCCH(OH)C\τbCH with OsX2(PPh3)3 (X = Cl, Br)","Journal of the American Chemical Society","2004","126","","6862","6863","10.1021/ja0486871","","","0.71073","MoKα","","0.1948","0.0789","","","0.1704","0.2255","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112630","11.4923","0.0007","14.1998","0.0008","17.7994","0.001","94.335","0.001","95.037","0.001","104.761","0.001","2783.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H68.5 Cl5 O3.25 Os P5 -","- C51 H66 Cl5 O3.25 Os P5 -","- C102 H132 Cl10 O6.5 Os2 P10 -","2","1","","Haiping Xia; Guomei He; Hong Zhang; Ting Bin Wen; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Osmabenzenes from the Reactions of HC\τbCCH(OH)C\τbCH with OsX2(PPh3)3 (X = Cl, Br)","Journal of the American Chemical Society","2004","126","","6862","6863","10.1021/ja0486871","","","0.71073","MoKα","","0.0402","0.0321","","","0.0675","0.07","","","","","","0.982","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112631","14.077","0.004","15.061","0.004","22.746","0.006","80.518","0.004","84.853","0.004","66.374","0.004","4356","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[K-(2,2,2-crypt)]3(Si9)*8(NH3)","","- C54 H108 K3 N15 O18 Si9 -","- C54 H108 K3 N15 O18 Si9 -","- C108 H216 K6 N30 O36 Si18 -","2","1","","Jose M. Goicoechea; Slavi C. Sevov","Naked Deltahedral Silicon Clusters in Solution: Synthesis and Characterization of Si93- and Si52-","Journal of the American Chemical Society","2004","126","","6860","6861","10.1021/ja0488075","","","0.71073","MoKα","","0.134","0.0791","","","0.1685","0.1782","","","","","","1.308","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112632","18.127","0.003","19.439","0.004","23.32","0.004","86.515","0.003","88.861","0.004","87.718","0.004","8194","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Rb-(2,2,2-crypt)]6(Si9)(Si9)*6.3(NH3)","","- C108 H216 N18.3 O36 Rb6 Si18 -","- C108 H216 N18.3 O36 Rb6 Si18 -","- C216 H432 N36.6 O72 Rb12 Si36 -","2","1","","Jose M. Goicoechea; Slavi C. Sevov","Naked Deltahedral Silicon Clusters in Solution: Synthesis and Characterization of Si93- and Si52-","Journal of the American Chemical Society","2004","126","","6860","6861","10.1021/ja0488075","","","0.71073","MoKα","","0.1564","0.077","","","0.1654","0.1885","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112633","11.1627","0.0019","11.863","0.003","12.101","0.002","119.333","0.003","100.859","0.003","91.662","0.004","1358.1","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","[Rb-(2,2,2-crypt)]2(Si5)*4(NH3)","","- C36 H72 N8 O12 Rb2 Si5 -","- C36 H72 N8 O12 Rb2 Si5 -","- C36 H72 N8 O12 Rb2 Si5 -","1","1","","Jose M. Goicoechea; Slavi C. Sevov","Naked Deltahedral Silicon Clusters in Solution: Synthesis and Characterization of Si93- and Si52-","Journal of the American Chemical Society","2004","126","","6860","6861","10.1021/ja0488075","","","0.71073","MoKα","","0.0931","0.0705","","","0.1713","0.1889","","","","","","1.005","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112634","13.6394","0.0011","14.8506","0.0011","22.7034","0.0018","86.614","0.004","79.222","0.003","79.168","0.003","4435.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66.5 H118 K3 N8.5 O18 Si9 -","- C66.5 H118 K3 N8.5 O18 Si9 -","- C133 H236 K6 N17 O36 Si18 -","2","1","","Jose M. Goicoechea; Slavi C. Sevov","Naked Deltahedral Silicon Clusters in Solution: Synthesis and Characterization of Si93- and Si52-","Journal of the American Chemical Society","2004","126","","6860","6861","10.1021/ja0488075","","","0.71073","MoKα","","0.1315","0.0653","","","0.135","0.1511","","","","","","0.83","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112635","17.31","0.002","16.038","0.002","19.006","0.003","90","","90.782","0.003","90","","5275.9","1.2","293","2","213","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Cr3(dpa)4(NCO)F]PF6,3CH2Cl2","","","- C44 H38 Cl6 Cr3 F7 N13 O P -","- C44 H38 Cl6 Cr3 F7 N13 O P -","- C176 H152 Cl24 Cr12 F28 N52 O4 P4 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0867","0.0521","","","0.1312","0.1514","","","","","","1.031","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112636","18.634","0.005","29.357","0.017","16.142","0.003","90","","90","","90","","8830","6","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","Cr3(dpa)4Cl2, benzene","","","- C46 H38 Cl2 Cr3 N12 -","- C46 H38 Cl2 Cr3 N12 -","- C368 H304 Cl16 Cr24 N96 -","8","2","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0707","0.054","","","0.1203","0.1333","","","","","","1.14","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112637","18.475","0.0017","14.965","0.004","16.469","0.0013","90","","90","","90","","4553.3","1.3","213","2","213","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Cr3(dpa)4Cl2, toluene","","","- C47 H40 Cl2 Cr3 N12 -","- C47 H40 Cl2 Cr3 N12 -","- C188 H160 Cl8 Cr12 N48 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0646","0.0516","","","0.1158","0.1251","","","","","","1.075","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112638","12.9961","0.0016","14.1381","0.0008","11.3306","0.0013","90","","90","","90","","2081.9","0.4","213","2","213","2","","","","","","","","5","P n n 2","P 2 -2n","34","Cr3(dpa)4Cl2, CH2Cl2","","","- C41 H34 Cl4 Cr3 N12 -","- C41 H33 Cl4 Cr3 N12 -","- C82 H66 Cl8 Cr6 N24 -","2","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0533","0.0449","","","0.1078","0.1155","","","","","","1.079","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112639","16.1062","0.0009","15.8183","0.0009","17.0329","0.0009","90","","98.471","0.001","90","","4292.2","0.4","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cr3(dpa)4Cl2, Et2O","","","- C44 H42 Cl2 Cr3 N12 O -","- C44 H42 Cl2 Cr3 N12 O -","- C176 H168 Cl8 Cr12 N48 O4 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0998","0.0522","","","0.0913","0.1054","","","","","","0.992","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112640","19.1659","0.0006","19.1659","0.0006","16.0803","0.001","90","","90","","90","","5906.8","0.5","213","2","213","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","Cr3(depa)4Cl2 0.5hexane","","","- C59 H71 Cl2 Cr3 N12 -","- C59 H64 Cl2 Cr3 N12 -","- C236 H256 Cl8 Cr12 N48 -","4","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0388","0.0334","","","0.0919","0.0992","","","","","","1.097","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112641","17.9292","0.0012","17.9292","0.0012","21.828","0.003","90","","90","","90","","7016.7","1.2","213","2","213","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","[Cr3(depa)4Cl2]I3","","","- C56 H64 Cl2 Cr3 I3 N12 -","- C56 H64 Cl2 Cr3 I3 N12 -","- C224 H256 Cl8 Cr12 I12 N48 -","4","0.25","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.1044","0.0984","","","0.2526","0.2588","","","","","","1.088","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112642","28.0572","0.0019","10.1744","0.0007","22.8994","0.0016","90","","124.674","0.001","90","","5376","0.6","293","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Cr3(dpa)4(NCMe)2(PF6)2.2NCMe","","","- C48 H44 Cr3 F12 N16 P2 -","- C48 H44 Cr3 F12 N16 P2 -","- C192 H176 Cr12 F48 N64 P8 -","4","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0367","0.032","","","0.0872","0.0911","","","","","","1.031","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112643","13.32","0.005","14.299","0.006","11.46","0.005","90","","90","","90","","2182.7","1.6","293","2","213","2","","","","","","","","6","P n n 2","P 2 -2n","34","Cr3(dpa)4I2, CH2Cl2","","","- C41 H34 Cl2 Cr3 I2 N12 -","- C41 H34 Cl2 Cr3 I2 N12 -","- C82 H68 Cl4 Cr6 I4 N24 -","2","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0282","0.0257","","","0.0671","0.0692","","","","","","1.042","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112644","13.0976","0.0013","14.2026","0.0014","11.4101","0.0011","90","","90","","90","","2122.5","0.4","293","2","213","2","","","","","","","","6","P n n 2","P 2 -2n","34","Cr3(dpa)4Br2, CH2Cl2","","","- C41 H34 Br2 Cl2 Cr3 N12 -","- C41 H34 Br2 Cl2 Cr3 N12 -","- C82 H68 Br4 Cl4 Cr6 N24 -","2","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0319","0.0262","","","0.0644","0.0673","","","","","","1.042","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112645","16.289","0.003","16.3743","0.0015","17.3732","0.0013","90","","103.624","0.009","90","","4503.4","1","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cr3(dpa)4(NO3)2,Et2O","","","- C44 H42 Cr3 N14 O7 -","- C44 H42 Cr3 N14 O7 -","- C176 H168 Cr12 N56 O28 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.1098","0.0818","","","0.1684","0.1866","","","","","","1.106","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112646","18.844","0.003","17.059","0.003","16.439","0.003","90","","111.71","0.003","90","","4909.6","1.5","293","2","213","2","","","","","","","","7","C 1 c 1","C -2yc","9","Cr3(dpa)4(BF4)2, 2CH2Cl2","","","- C42 H36 B2 Cl4 Cr3 F8 N12 -","- C42 H36 B2 Cl4 Cr3 F8 N12 -","- C168 H144 B8 Cl16 Cr12 F32 N48 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.055","0.053","","","0.1472","0.1497","","","","","","1.102","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112647","13.2514","0.0008","14.1573","0.0008","11.4203","0.0007","90","","90","","90","","2142.5","0.2","293","2","213","2","","","","","","","","5","P n n 2","P 2 -2n","34","Cr3(dpa)4(CN)2.CH2Cl2","","","- C43 H34 Cl2 Cr3 N14 -","- C43 H34 Cl2 Cr3 N14 -","- C86 H68 Cl4 Cr6 N28 -","2","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0281","0.0255","","","0.0667","0.0685","","","","","","1.057","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112648","16.956","0.006","18.688","0.006","16.949","0.006","90","","108.149","0.006","90","","5103","3","293","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cr3(dpa)4(NCS)2.2Benzene","","","- C54 H44 Cr3 N14 S2 -","- C54 H44 Cr3 N14 S2 -","- C216 H176 Cr12 N56 S8 -","4","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0539","0.0377","","","0.0977","0.1084","","","","","","1.074","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112649","14.285","0.001","24.3558","0.0017","31.508","0.002","90","","90","","90","","10962.3","1.3","213","2","213","2","","","","","","","","5","F d d 2","F 2 -2d","43","Cr3(dpa)4(NCS)2, (toluene)2","","","- C56 H48 Cr3 N14 S2 -","- C56 H47 Cr3 N14 S2 -","- C448 H376 Cr24 N112 S16 -","8","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0387","0.0332","","","0.0824","0.0864","","","","","","1.071","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112650","13.869","0.002","16.771","0.003","17.083","0.003","90","","94.928","0.003","90","","3958.8","1.1","293","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cr3(dpa)4(NCO)2","","","- C42 H32 Cr3 N14 O2 -","- C42 H32 Cr3 N14 O2 -","- C168 H128 Cr12 N56 O8 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0613","0.0468","","","0.1265","0.1361","","","","","","1.033","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112651","10.8639","0.001","7.1013","0.0006","14.5222","0.0013","90","","106.677","0.002","90","","1073.23","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ag2C4 6AgNO3 2H2O","","- C4 H4 Ag8 F0 N6 O20 -","- C4 Ag8 N6 O20 -","- C8 Ag16 N12 O40 -","2","0.5","","Liang Zhao; Thomas C. W. Mak","Silver(I) 1,3-Butadiynediide and Two Related Silver(I) Double Salts Containing the C42- Dianion","Journal of the American Chemical Society","2004","126","","6852","6853","10.1021/ja049772b","","","0.71073","MoKα","","0.0651","0.0598","","","0.1626","0.1677","","","","","","1.106","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112652","11.8995","0.0015","15.531","0.002","24.692","0.003","90","","90.171","0.003","90","","4563.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ag2C4 6AgNO3 3H2O","","- C8 H12 Ag16 N12 O42 -","- C8 Ag16 N12 O42 -","- C32 Ag64 N48 O168 -","4","1","","Liang Zhao; Thomas C. W. Mak","Silver(I) 1,3-Butadiynediide and Two Related Silver(I) Double Salts Containing the C42- Dianion","Journal of the American Chemical Society","2004","126","","6852","6853","10.1021/ja049772b","","","0.71073","MoKα","","0.0893","0.0479","","","0.1485","0.1747","","","","","","1.052","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112653","9.278","0.004","9.278","0.004","10.093","0.003","90","","90","","120","","752.4","0.5","296","2","296","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- C8 Cl4 N2 -","- C7.98 Cl4.02 N1.98 -","- C23.94 Cl12.06 N5.94 -","3","0.0833333","","Maryjane Tremayne; Leanne Grice; James C. Pyatt; Colin C. Seaton; Benson M. Kariuki; Helen H. Y. Tsui; Sarah L. Price; Julian C. Cherryman","Characterization of Complicated New Polymorphs of Chlorothalonil by X-ray Diffraction and Computer Crystal Structure Prediction","Journal of the American Chemical Society","2004","126","","7071","7081","10.1021/ja0498235","","","0.71069","MoKα","","0.0614","0.0609","","0.1451","0.1447","","","","1.176","1.183","1.183","","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112654","13.591","0.002","6.3033","0.0009","18.429","0.003","90","","109.448","0.005","90","","1488.7","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 Cl4 N2 -","- C8 Cl4 N2 -","- C48 Cl24 N12 -","6","3","","Maryjane Tremayne; Leanne Grice; James C. Pyatt; Colin C. Seaton; Benson M. Kariuki; Helen H. Y. Tsui; Sarah L. Price; Julian C. Cherryman","Characterization of Complicated New Polymorphs of Chlorothalonil by X-ray Diffraction and Computer Crystal Structure Prediction","Journal of the American Chemical Society","2004","126","","7071","7081","10.1021/ja0498235","","","0.71069","MoKα","","0.0793","0.0696","","","0.1318","0.1383","","","","","","1.128","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112655","11.469","0.002","4.831","0.001","14.575","0.003","90","","93.67","0.03","90","","805.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H26 N2 O3 -","- C14 H26 N2 O3 -","- C28 H52 N4 O6 -","2","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71069","MoKα","","0.0477","0.0348","","","0.0831","0.1104","","","","","","1.042","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112656","26.917","0.004","26.917","0.004","12.114","0.002","90","","90","","90","","8777","2","301","2","301","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C20 H31 N2 O5.5 -","- C20 H30 N2 O5.5 -","- C320 H480 N32 O88 -","16","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71069","MoKα","","0.1189","0.0897","","","0.2606","0.278","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112657","10.143","0.002","11.246","0.002","18.721","0.004","90","","90","","90","","2135.5","0.7","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N2 O4 -","- C18 H33 N2 O4 -","- C72 H132 N8 O16 -","4","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71073","MoKα","","0.0833","0.0642","","","0.1708","0.1824","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112658","10.225","0.002","11.534","0.002","18.169","0.004","90","","90","","90","","2142.8","0.7","253","2","253","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H34 N2 O3 -","- C18 H34 N2 O3 -","- C72 H136 N8 O12 -","4","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71073","MoKα","","0.0729","0.0473","","","0.1249","0.133","","","","","","0.963","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112659","5.62","0.001","13.03","0.002","23.463","0.003","90","","90","","90","","1718.2","0.5","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N2 O4 -","- C16 H22.5 N2 O4 -","- C64 H90 N8 O16 -","4","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71073","MoKα","","0.0603","0.051","","","0.1507","0.1641","","","","","","1.122","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112660","4.846","0.001","5.949","0.0012","19.861","0.004","85","0.03","88.23","0.03","68.31","0.03","530","0.2","301","2","301","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H33 N3 O5 -","- C18 H33 N3 O5 -","- C18 H33 N3 O5 -","1","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71073","MoKα","","0.0555","0.0468","","","0.1193","0.1245","","","","","","1.06","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112661","12.252","0.002","14.313","0.002","15.292","0.002","76.069","0.009","69.391","0.008","86.72","0.01","2435.1","0.6","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H53 Cl2 N9 O2 Pd2 -","- C52 H53 Cl2 N9 O2 Pd2 -","- C104 H106 Cl4 N18 O4 Pd4 -","2","1","","Takeshi Motoyama; Yuichi Shimazaki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Reactivity of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands: Cyclopalladation and π-Cation Radical Formation","Journal of the American Chemical Society","2004","126","","7378","7385","10.1021/ja031587v","","","0.7107","MoKα","","","0.047","","","","0.1142","","","","","","1.253","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112662","17.276","0.005","69.1","0.1","9.519","0.002","90","","90","","90","","11364","17","123.2","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C31 H38 Cl N3 O Pd -","- C31 H38 Cl N3 O Pd -","- C496 H608 Cl16 N48 O16 Pd16 -","16","1","","Takeshi Motoyama; Yuichi Shimazaki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Reactivity of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands: Cyclopalladation and π-Cation Radical Formation","Journal of the American Chemical Society","2004","126","","7378","7385","10.1021/ja031587v","","","0.7107","MoKα","","","0.038","","","","0.1012","","","","","","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112663","8.5354","0.0006","15.3198","0.0009","21.615","0.002","90","","87.961","0.003","90","","2824.6","0.4","133.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Cl N3 O Pd -","- C31 H38 Cl N3 O Pd -","- C124 H152 Cl4 N12 O4 Pd4 -","4","1","","Takeshi Motoyama; Yuichi Shimazaki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Reactivity of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands: Cyclopalladation and π-Cation Radical Formation","Journal of the American Chemical Society","2004","126","","7378","7385","10.1021/ja031587v","","","0.7107","MoKα","","","0.0299","","","","0.0769","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112664","11.777","0.002","8.45","0.002","30.106","0.006","90","","96.9551","0.0009","90","","2974","1","123.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 Cl N3 O Pd -","- C32 H31 Cl N3 O Pd -","- C128 H124 Cl4 N12 O4 Pd4 -","4","1","","Takeshi Motoyama; Yuichi Shimazaki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Reactivity of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands: Cyclopalladation and π-Cation Radical Formation","Journal of the American Chemical Society","2004","126","","7378","7385","10.1021/ja031587v","","","0.7107","MoKα","","","0.0397","","","","0.1078","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112665","12.889","0.0002","47.3431","0.0006","13.7109","0.0002","90","","113.833","0.0005","90","","7653.01","0.19","183.2","","183.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Cl6 Mn4 N12 O37 -","- C60 H44 Cl6 Mn4 N12 O37 -","- C240 H176 Cl24 Mn16 N48 O148 -","4","1","","Hongyu Chen; J. W. Faller; Robert H. Crabtree; Gary W. Brudvig","Dimer-of-Dimers Model for the Oxygen-Evolving Complex of Photosystem II. Synthesis and Properties of [MnIV4O5(terpy)4(H2O)2](ClO4)6","Journal of the American Chemical Society","2004","126","","7345","7349","10.1021/ja037389l","","","0.7107","MoKα","","0.1602","0.089","","0.176","","0.097","","","4.879","","","3.94","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112666","6.0201","0.0003","8.1669","0.0004","39.57","0.002","90","","90","","90","","1945.48","0.17","158.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O S -","- C24 H23 N O S -","- C96 H92 N4 O4 S4 -","4","1","","Reema K. Thalji; Jonathan A. Ellman; Robert G. Bergman","Highly Efficient and Enantioselective Cyclization of Aromatic Imines via Directed C-H Bond Activation","Journal of the American Chemical Society","2004","126","","7192","7193","10.1021/ja0394986","","","0.7107","MoKα","","","0.0469","","","","0.0531","","","","","","2.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112667","8.687","0.0007","4.9906","0.0004","20.473","0.002","90","","98.857","0.001","90","","876.99","0.13","170.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 N O2 S -","- C20 H23 N O2 S -","- C40 H46 N2 O4 S2 -","2","1","","Reema K. Thalji; Jonathan A. Ellman; Robert G. Bergman","Highly Efficient and Enantioselective Cyclization of Aromatic Imines via Directed C-H Bond Activation","Journal of the American Chemical Society","2004","126","","7192","7193","10.1021/ja0394986","","","0.7107","MoKα","","","0.0478","","","","0.0624","","","","","","2.366","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112668","24.089","0.005","14.957","0.003","28.235","0.006","90","","110.53","0.03","90","","9527","4","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C101 H92 Cu3 F12 N P8 -","- C101 H92 Cu3 F12 N P8 -","- C404 H368 Cu12 F48 N4 P32 -","4","1","","Wing-Yin Lo; Chi-Ho Lam; Vivian Wing-Wah Yam; Nianyong Zhu; Kung-Kai Cheung; Sofiane Fathallah; Sabri Messaoudi; Boris Le Guennic; Samia Kahlal; Jean-François Halet","Synthesis, Photophysics, Electrochemistry, Theoretical, and Transient Absorption Studies of Luminescent Copper(I) and Silver(I) Diynyl Complexes. X-ray Crystal Structures of [Cu3(μ-dppm)3(μ3-η1-C\τbCC\τbCPh)2]PF6 and [Cu3(μ-dppm)3(μ3-η1-C\τbCC\τbCH)2]PF6","Journal of the American Chemical Society","2004","126","","7300","7310","10.1021/ja049300x","","","0.71073","MoKα","","0.1206","0.0576","","","0.15","0.1904","","","","","","0.963","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112669","14.633","0.002","27.457","0.004","19.035","0.003","90","","106.8","0.03","90","","7321","2","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H68 Cu3 F6 P7 -","- C83 H68 Cu3 F6 P7 -","- C332 H272 Cu12 F24 P28 -","4","1","","Wing-Yin Lo; Chi-Ho Lam; Vivian Wing-Wah Yam; Nianyong Zhu; Kung-Kai Cheung; Sofiane Fathallah; Sabri Messaoudi; Boris Le Guennic; Samia Kahlal; Jean-François Halet","Synthesis, Photophysics, Electrochemistry, Theoretical, and Transient Absorption Studies of Luminescent Copper(I) and Silver(I) Diynyl Complexes. X-ray Crystal Structures of [Cu3(μ-dppm)3(μ3-η1-C\τbCC\τbCPh)2]PF6 and [Cu3(μ-dppm)3(μ3-η1-C\τbCC\τbCH)2]PF6","Journal of the American Chemical Society","2004","126","","7300","7310","10.1021/ja049300x","","","0.71073","MoKα","","0.0813","0.0527","","","0.1437","0.1678","","","","","","1.009","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112670","24.991","0.005","51.872","0.01","9.933","0.002","90","","90","","90","","12876","4","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C40 H32 N2 -","- C40 H32 N2 -","- C640 H512 N32 -","16","1","","Xiaohua Sun; Congyang Wang; Zhiping Li; Shiwei Zhang; Zhenfeng Xi","Zirconocene-Mediated Intermolecular Coupling of One Molecule of Si-Tethered Diyne with Three Molecules of Organonitriles: One-Pot Formation of Pyrrolo[3,2-c]pyridine Derivatives via Cleavage of C\τbN Triple Bonds of Organonitriles","Journal of the American Chemical Society","2004","126","","7172","7173","10.1021/ja0497173","","","0.71073","MoKα","","0.1055","0.0549","","","0.1398","0.1505","","","","","","1.023","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112671","12.612","0.003","14.778","0.003","14.257","0.003","90","","104.05","0.03","90","","2577.7","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 N2 S3 -","- C30 H19 N2 S3 -","- C120 H76 N8 S12 -","4","1","","Xiaohua Sun; Congyang Wang; Zhiping Li; Shiwei Zhang; Zhenfeng Xi","Zirconocene-Mediated Intermolecular Coupling of One Molecule of Si-Tethered Diyne with Three Molecules of Organonitriles: One-Pot Formation of Pyrrolo[3,2-c]pyridine Derivatives via Cleavage of C\τbN Triple Bonds of Organonitriles","Journal of the American Chemical Society","2004","126","","7172","7173","10.1021/ja0497173","","","0.71073","MoKα","","0.1118","0.0548","","","0.1267","0.1394","","","","","","1.002","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112672","10.014","0.002","13.707","0.003","19.626","0.004","90","","90","","90","","2693.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H24 N2 S2 -","- C34 H24 N2 S2 -","- C136 H96 N8 S8 -","4","1","","Xiaohua Sun; Congyang Wang; Zhiping Li; Shiwei Zhang; Zhenfeng Xi","Zirconocene-Mediated Intermolecular Coupling of One Molecule of Si-Tethered Diyne with Three Molecules of Organonitriles: One-Pot Formation of Pyrrolo[3,2-c]pyridine Derivatives via Cleavage of C\τbN Triple Bonds of Organonitriles","Journal of the American Chemical Society","2004","126","","7172","7173","10.1021/ja0497173","","","0.71073","MoKα","","0.0793","0.0351","","","0.0552","0.0594","","","","","","0.848","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112673","10.114","0.002","10.915","0.002","19.17","0.004","90","","96.44","0.03","90","","2102.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O -","- C24 H27 N O -","- C96 H108 N4 O4 -","4","1","","Xiaohua Sun; Congyang Wang; Zhiping Li; Shiwei Zhang; Zhenfeng Xi","Zirconocene-Mediated Intermolecular Coupling of One Molecule of Si-Tethered Diyne with Three Molecules of Organonitriles: One-Pot Formation of Pyrrolo[3,2-c]pyridine Derivatives via Cleavage of C\τbN Triple Bonds of Organonitriles","Journal of the American Chemical Society","2004","126","","7172","7173","10.1021/ja0497173","","","0.71073","MoKα","","0.1015","0.0412","","","0.0823","0.0898","","","","","","0.938","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112674","10.905","0.001","18.917","0.002","20.445","0.001","90","","90.99","0.01","90","","4217","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","complex 2","","","- C49 H51 B Co N4 S -","- C49 H51 B Co N4 S -","- C196 H204 B4 Co4 N16 S4 -","4","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.1143","0.0602","","","0.1054","0.1256","","","","","","1.028","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112675","10.86","0.001","18.999","0.001","20.344","0.002","90","","91.16","0.01","90","","4196.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","complex 3","","","- C49 H51 B N4 Ni S -","- C49 H51 B N4 Ni S -","- C196 H204 B4 N16 Ni4 S4 -","4","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.1102","0.0588","","","0.0941","0.1109","","","","","","1.039","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112676","14.362","0.001","14.835","0.001","19.622","0.001","90","","90","","90","","4180.7","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","complex 4","","","- C49 H51 B N4 S Zn -","- C49 H51 B N4 S Zn -","- C196 H204 B4 N16 S4 Zn4 -","4","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.114","0.0487","","","0.0777","0.0918","","","","","","1.014","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112677","18.62","0.002","17.399","0.002","36.26","0.006","90","","90","","90","","11747","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","complex 5","","","- C70 H70 B2 Co N6 -","- C70 H70 B2 Co N6 -","- C560 H560 B16 Co8 N48 -","8","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.1407","0.0519","","","0.1142","0.1443","","","","","","1.01","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112678","11.355","0.002","13.064","0.002","18.333","0.002","88.52","0.02","86.13","0.01","88.74","0.02","2711.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","complex 6","","","- C68 H67 B2 N5 Ni -","- C68 H67 B2 N5 Ni -","- C136 H134 B4 N10 Ni2 -","2","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.1391","0.0728","","","0.1132","0.1344","","","","","","1.037","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112679","8.795","0.002","9.913","0.002","15.211","0.003","84.99","0.03","79.19","0.03","73.45","0.03","1247.9","0.5","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Cl N3 O4 Pt -","- C26 H30 Cl N3 O4 Pt -","- C52 H60 Cl2 N6 O8 Pt2 -","2","1","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71069","MoKα","","0.0649","0.0504","","","0.1254","0.1427","","","","","","1.031","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112680","59.405","0.012","13.579","0.003","29.636","0.006","90","","108.55","0.03","90","","22664","9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H119 Cl3 N9 O12 P3 Pt3 -","- C110 H110 Cl3 N9 O12 P3 Pt3 -","- C880 H880 Cl24 N72 O96 P24 Pt24 -","8","1","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71069","MoKα","","0.0852","0.0597","","","0.1788","0.1881","","","","","","1.019","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112681","17.556","0.004","20.772","0.004","27.514","0.006","90","","102.1","0.03","90","","9811","4","253","2","253","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C93 H80 Cl3 N8 O18 P3 Pt3 -","- C93 H69 Cl3 N8 O18 P3 Pt3 -","- C372 H276 Cl12 N32 O72 P12 Pt12 -","4","1","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71069","MoKα","","0.1038","0.0553","","","0.1525","0.1733","","","","","","0.986","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112682","19.365","0.003","19.365","0.003","42.143","0.008","90","","90","","120","","13686","4","253","2","253","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C77 H82 F12 N6 O8 P4 Pt2 -","- C77 H82 F12 N6 O8 P4 Pt2 -","- C462 H492 F72 N36 O48 P24 Pt12 -","6","0.5","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71073","MoKα","","0.0844","0.0497","","","0.1411","0.1618","","","","","","1.034","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112683","12.308","0.003","13.948","0.003","32.345","0.007","90","","90","","90","","5553","2","301","2","301","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C57 H46 Cl2 N6 O8 P2 Pt2 S2 -","- C57 H28 Cl2 N6 O8 P2 Pt2 S2 -","- C228 H112 Cl8 N24 O32 P8 Pt8 S8 -","4","0.5","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71073","MoKα","","0.0862","0.053","","","0.1545","0.1684","","","","","","1.07","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112684","10.397","0.001","10.6917","0.001","13.8862","0.0013","81.785","0.002","78.731","0.002","88.759","0.002","1498.3","0.2","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H20 N O -","- C18 H20 N O -","- C72 H80 N4 O4 -","4","4","","Phil S. Baran; Jeremy M. Richter","Direct Coupling of Indoles with Carbonyl Compounds: Short, Enantioselective, Gram-Scale Synthetic Entry into the Hapalindole and Fischerindole Alkaloid Families","Journal of the American Chemical Society","2004","126","","7450","7451","10.1021/ja047874w","","","0.71073","MoKα","","0.0794","0.0535","","","0.1123","0.1263","","","","","","1.007","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112685","7.857","0.003","10.517","0.004","18.996","0.006","81.092","0.005","81.484","0.006","69.293","0.005","1443.2","0.9","373","2","373","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 N2 O4 S Si -","- C28 H36 N2 O4 S Si -","- C56 H72 N4 O8 S2 Si2 -","2","1","","Randy F. Sweis; Michael P. Schramm; Sergey A. Kozmin","Silver-Catalyzed [2 + 2] Cycloadditions of Siloxy Alkynes","Journal of the American Chemical Society","2004","126","","7442","7443","10.1021/ja048251l","","","0.71073","MoKα","","0.0554","0.0534","","","0.145","0.1469","","","","","","1.082","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112686","12.2784","0.001","14.8498","0.0012","14.4883","0.0012","90","","102.044","0.002","90","","2583.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H82 Ca2 N2 O4 Si4 -","- C42 H72.94 Ca2 N2 O4 Si4 -","- C84 H145.88 Ca4 N4 O8 Si8 -","2","0.5","","Xuyang He; Bruce C. Noll; Alicia Beatty; Robert E. Mulvey; Kenneth W. Henderson","Ketone Deprotonation Mediated by Mono- and Heterobimetallic Alkali and Alkaline Earth Metal Amide Bases: Structural Characterization of Potassium, Calcium, and Mixed Potassium-Calcium Enolates","Journal of the American Chemical Society","2004","126","","7444","7445","10.1021/ja048750m","","","0.71073","MoKα","","0.0813","0.0669","","","0.1428","0.1522","","","","","","1.137","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112687","22.868","0.004","14.045","0.003","21.61","0.004","90","","105.937","0.004","90","","6674","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H84 K4 O4 -","- C72 H84 K4 O4 -","- C288 H336 K16 O16 -","4","1","","Xuyang He; Bruce C. Noll; Alicia Beatty; Robert E. Mulvey; Kenneth W. Henderson","Ketone Deprotonation Mediated by Mono- and Heterobimetallic Alkali and Alkaline Earth Metal Amide Bases: Structural Characterization of Potassium, Calcium, and Mixed Potassium-Calcium Enolates","Journal of the American Chemical Society","2004","126","","7444","7445","10.1021/ja048750m","","","0.71073","MoKα","","0.1143","0.0896","","","0.2071","0.2145","","","","","","1.105","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112688","11.4533","0.0015","17.285","0.002","19.218","0.003","90","","90.438","0.002","90","","3804.5","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H62 Ca K N3 O Si6 -","- C22 H62 Ca K N3 O Si6 -","- C88 H248 Ca4 K4 N12 O4 Si24 -","4","1","","Xuyang He; Bruce C. Noll; Alicia Beatty; Robert E. Mulvey; Kenneth W. Henderson","Ketone Deprotonation Mediated by Mono- and Heterobimetallic Alkali and Alkaline Earth Metal Amide Bases: Structural Characterization of Potassium, Calcium, and Mixed Potassium-Calcium Enolates","Journal of the American Chemical Society","2004","126","","7444","7445","10.1021/ja048750m","","","0.71073","MoKα","","0.0676","0.0486","","","0.1378","0.1475","","","","","","1.094","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112689","11.3419","0.0013","23.324","0.003","13.5278","0.0016","90","","96.34","0.002","90","","3556.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 Ca K O4 -","- C37 H47 Ca K O4 -","- C148 H188 Ca4 K4 O16 -","4","1","","Xuyang He; Bruce C. Noll; Alicia Beatty; Robert E. Mulvey; Kenneth W. Henderson","Ketone Deprotonation Mediated by Mono- and Heterobimetallic Alkali and Alkaline Earth Metal Amide Bases: Structural Characterization of Potassium, Calcium, and Mixed Potassium-Calcium Enolates","Journal of the American Chemical Society","2004","126","","7444","7445","10.1021/ja048750m","","","0.71073","MoKα","","0.0754","0.0517","","","0.1454","0.1553","","","","","","1.006","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112690","26.746","0.005","12.27","0.002","19.878","0.004","90","","115.091","0.003","90","","5907.9","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H84 Ca K2 O8 -","- C60 H84 Ca K2 O8 -","- C240 H336 Ca4 K8 O32 -","4","0.5","","Xuyang He; Bruce C. Noll; Alicia Beatty; Robert E. Mulvey; Kenneth W. Henderson","Ketone Deprotonation Mediated by Mono- and Heterobimetallic Alkali and Alkaline Earth Metal Amide Bases: Structural Characterization of Potassium, Calcium, and Mixed Potassium-Calcium Enolates","Journal of the American Chemical Society","2004","126","","7444","7445","10.1021/ja048750m","","","0.71073","MoKα","","0.0878","0.0536","","","0.1255","0.1445","","","","","","1.075","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112691","12.4536","0.0009","16.1001","0.0011","24.7739","0.0017","90","","102.798","0.001","90","","4843.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 Cl3 N4 Ru2 -","- C52 H62 Cl3 N4 Ru2 -","- C208 H248 Cl12 N16 Ru8 -","4","1","","Soon Hyeok Hong; Michael W. Day; Robert H. Grubbs","Decomposition of a Key Intermediate in Ruthenium-Catalyzed Olefin Metathesis Reactions","Journal of the American Chemical Society","2004","126","","7414","7415","10.1021/ja0488380","","","0.71073","MoKα","","0.0952","0.0488","","","0.0803","0.0859","","","","","","1.396","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112692","43.157","0.01","12.009","0.003","20.925","0.004","90","","94.19","0.003","90","","10816","4","173.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 B Cl F4 P3 Pt -","- C61 H56 B Cl2 F4 P3 Pt -","- C488 H448 B8 Cl16 F32 P24 Pt8 -","8","1","","Morifumi Fujita; Wan Hyeok Kim; Yuichi Sakanishi; Koji Fujiwara; Sayaka Hirayama; Tadashi Okuyama; Yasuhiro Ohki; Kazuyuki Tatsumi; Yasunori Yoshioka","Elimination-Addition Mechanism for Nucleophilic Substitution Reaction of Cyclohexenyl Iodonium Salts and Regioselectivity of Nucleophilic Addition to the Cyclohexyne Intermediate","Journal of the American Chemical Society","2004","126","","7548","7558","10.1021/ja0496672","","","0.7107","MoKα","","","0.0413","","","","0.0627","","","","","","1.716","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112693","14.5249","0.0009","17.453","0.0011","22.1208","0.0014","90","","124.978","0.001","90","","4594.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H45 Cl2 Ir N4 O7 S2 -","- C48.01 H45.02 Cl2.02 Ir N4 O7 S2 -","- C192.04 H180.08 Cl8.08 Ir4 N16 O28 S8 -","4","1","","Maria C. DeRosa; Derek J. Hodgson; Gary D. Enright; Brian Dawson; Christopher E. B. Evans; Robert J. Crutchley","Iridium Luminophore Complexes for Unimolecular Oxygen Sensors","Journal of the American Chemical Society","2004","126","","7619","7626","10.1021/ja049872h","","","0.71073","MoKα","","0.0766","0.0434","","","0.1034","0.1176","","","","","","1.012","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112694","11.5162","0.001","12.5395","0.0011","12.5842","0.0011","89.228","0.0014","72.165","0.0014","73.716","0.0014","1655.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl6 N2 O Sb -","- C32 H28 Cl6 N2 O Sb -","- C64 H56 Cl12 N4 O2 Sb2 -","2","1","","Adriana V. Szeghalmi; Marco Erdmann; Volker Engel; Michael Schmitt; Stephan Amthor; Volker Kriegisch; Gilbert Nöll; Rainer Stahl; Christoph Lambert; Dirk Leusser; Dietmar Stalke; Manfred Zabel; Jürgen Popp","How Delocalized IsN,N,N',N'-Tetraphenylphenylenediamine Radical Cation? An Experimental and Theoretical Study on the Electronic and Molecular Structure","Journal of the American Chemical Society","2004","126","","7834","7845","10.1021/ja0395386","","","0.71073","MoKα","","0.024","0.0218","","","0.0555","0.0566","","","","","","1.041","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112695","22.713","0.002","17.6662","0.001","18.024","0.0017","90","","111.431","0.01","90","","6732.1","1.1","293","","173","1","","","","","","","University of Regensburg","6","C 1 2/c 1","-C 2yc","15","","[N,N,N',N'-Tetraphenylphenylendiamino+][SbCl6-)]-THF","","- C32 H28 Cl6 N2 O0.5 Sb -","- C32 H28 Cl6 N2 O0.5 Sb -","- C256 H224 Cl48 N16 O4 Sb8 -","8","1","","Adriana V. Szeghalmi; Marco Erdmann; Volker Engel; Michael Schmitt; Stephan Amthor; Volker Kriegisch; Gilbert Nöll; Rainer Stahl; Christoph Lambert; Dirk Leusser; Dietmar Stalke; Manfred Zabel; Jürgen Popp","How Delocalized IsN,N,N',N'-Tetraphenylphenylenediamine Radical Cation? An Experimental and Theoretical Study on the Electronic and Molecular Structure","Journal of the American Chemical Society","2004","126","","7834","7845","10.1021/ja0395386","","","0.71073","MoKα","","0.0635","0.0353","","","0.0946","0.1043","","","","","","0.933","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4112696","8.3524","0.0006","10.27","0.0007","13.8018","0.001","106.496","0.0012","100.073","0.0012","95.2343","0.0013","1105.16","0.14","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 N2 -","- C30 H24 N2 -","- C60 H48 N4 -","2","1","","Adriana V. Szeghalmi; Marco Erdmann; Volker Engel; Michael Schmitt; Stephan Amthor; Volker Kriegisch; Gilbert Nöll; Rainer Stahl; Christoph Lambert; Dirk Leusser; Dietmar Stalke; Manfred Zabel; Jürgen Popp","How Delocalized IsN,N,N',N'-Tetraphenylphenylenediamine Radical Cation? An Experimental and Theoretical Study on the Electronic and Molecular Structure","Journal of the American Chemical Society","2004","126","","7834","7845","10.1021/ja0395386","","","0.71073","MoKα","","0.0793","0.0706","","","0.1053","0.1085","","","","","","1.229","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112697","10.692","0.002","8.858","0.002","11.968","0.002","90","","114.4","0.01","90","","1032.2","0.4","200.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 Br2 O3 -","- C19 H24 Br2 O3 -","- C38 H48 Br4 O6 -","2","1","","Vijay Gnanadesikan; Yoshihiro Horiuchi; Takashi Ohshima; Masakatsu Shibasaki","Direct Catalytic Asymmetric Aldol-Tishchenko Reaction","Journal of the American Chemical Society","2004","126","","7782","7783","10.1021/ja047906f","","","1.5419","CuKα","","","0.038","","","","0.055","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112698","15.1875","0.0004","16.9658","0.0005","7.8798","0.0003","90","","115.833","0.001","90","","1827.47","0.1","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O4 -","- C23 H22 O4 -","- C92 H88 O16 -","4","0.5","","Hye-Young Jang; Michael J. Krische","Rhodium-Catalyzed Reductive Cyclization of 1,6-Diynes and 1,6-Enynes Mediated by Hydrogen: Catalytic C-C Bond Formation via Capture of Hydrogenation Intermediates","Journal of the American Chemical Society","2004","126","","7875","7880","10.1021/ja048498i","","","0.71073","MoKα","","0.0821","0.043","","","0.0856","0.1016","","","","","","0.999","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112699","17.2333","0.0006","24.8954","0.0008","29.6704","0.0009","90","","90","","90","","12729.5","0.7","120","","120","","","","","","","","?","2","P c a b","-P 2bc 2ac","61","","","","- C80 H94 -","- C80 H94 -","- C640 H752 -","8","1","","Zhaohui Wang; Željko Tomović; Marcel Kastler; Ramona Pretsch; Fabrizia Negri; Volker Enkelmann; Klaus Müllen","Graphitic Molecules with Partial ""Zig/Zag"" Periphery","Journal of the American Chemical Society","2004","126","","7794","7795","10.1021/ja048580d","","","1.54184","CuKα","","","0.0804","","","","0.0943","","","","","","0.9609","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112700","5.166","0.005","11.04","0.01","24.94","0.03","90","","90","","90","","1422","3","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O4 -","- C12 H21 N O4 -","- C48 H84 N4 O16 -","4","1","","Tomoaki Hamada; Kei Manabe; Shū Kobayashi","Enantio- and Diastereoselective, Stereospecific Mannich-Type Reactions in Water","Journal of the American Chemical Society","2004","126","","7768","7769","10.1021/ja048607t","","","0.7107","MoKα","","","0.024","","","","0.053","","","","","","0.82","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112701","11.4952","0.0004","11.4952","0.0004","47.84","0.002","90","","90","","90","","6321.6","0.4","296.2","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C31 H32 Cl4 N2 O2 Zn -","- C31 H34 Cl4 N2 O2 Zn -","- C248 H272 Cl32 N16 O16 Zn8 -","8","1","","Tomoaki Hamada; Kei Manabe; Shū Kobayashi","Enantio- and Diastereoselective, Stereospecific Mannich-Type Reactions in Water","Journal of the American Chemical Society","2004","126","","7768","7769","10.1021/ja048607t","","","0.7107","MoKα","","","0.0739","","","","0.2325","","","","","","2.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112702","11.196","","15.5253","0.001","11.311","","90","","108.132","0.003","90","","1868.46","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Cu3 I4 N S -","- C9 H14 Cu3 I4 N S -","- C36 H56 Cu12 I16 N4 S4 -","4","1","","Jian-Kai Cheng; Yuan-Gen Yao; Jian Zhang; Zhao-Ji Li; Zong-Wei Cai; Xiang-You Zhang; Zhong-Ning Chen; Yu-Biao Chen; Yao Kang; Ye-Yan Qin; Yi-Hang Wen","A Simultaneous Redox, Alkylation, Self-Assembly Reaction under Solvothermal Conditions Afforded a Luminescent Copper(I) Chain Polymer Constructed of Cu3I4- and EtS-4-C5H4N+Et Components (Et = CH3CH2)","Journal of the American Chemical Society","2004","126","","7796","7797","10.1021/ja048624i","","","0.71073","MoKα","","0.0542","0.0446","","","0.096","0.099","","","","","","1.007","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112703","15.092","0.002","15.092","0.002","13.016","0.003","90","","90","","90","","2964.6","0.9","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H20 Cl6 Cu6 N4 S4 -","- C20 H20 Cl6 Cu6 N4 S4 -","- C80 H80 Cl24 Cu24 N16 S16 -","4","0.25","","Jian-Kai Cheng; Yuan-Gen Yao; Jian Zhang; Zhao-Ji Li; Zong-Wei Cai; Xiang-You Zhang; Zhong-Ning Chen; Yu-Biao Chen; Yao Kang; Ye-Yan Qin; Yi-Hang Wen","A Simultaneous Redox, Alkylation, Self-Assembly Reaction under Solvothermal Conditions Afforded a Luminescent Copper(I) Chain Polymer Constructed of Cu3I4- and EtS-4-C5H4N+Et Components (Et = CH3CH2)","Journal of the American Chemical Society","2004","126","","7796","7797","10.1021/ja048624i","","","0.71073","MoKα","","0.0962","0.0569","","","0.1623","0.1924","","","","","","1.031","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112704","21.6316","0.0005","18.5683","0.0005","12.1535","0.0003","90","","113.025","0.001","90","","4492.7","0.2","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ru2II(mu-Cl)(bpp)(trpy)2](PF6)2","","","- C43 H31 Cl F12 N10 P2 Ru2 -","- C43 H31 Cl F12 N10 P2 Ru2 -","- C172 H124 Cl4 F48 N40 P8 Ru8 -","4","0.5","","Cristina Sens; Isabel Romero; Montserrat Rodríguez; Antoni Llobet; Teodor Parella; Jordi Benet-Buchholz","A New Ru Complex Capable of Catalytically Oxidizing Water to Molecular Dioxygen","Journal of the American Chemical Society","2004","126","","7798","7799","10.1021/ja0486824","","","0.71073","MoKα","","0.0695","0.0523","","","0.125","0.1401","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112705","12.81","0.0011","14.3191","0.0012","17.3027","0.0019","83.756","0.005","68.314","0.003","64.237","0.003","2650.9","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","[Ru2II(mu-OAc)(bpp)(trpy)2](PF6)2","","","- C51 H46 F12 N10 O4 P2 Ru2 -","- C51 H46 F12 N10 O4 P2 Ru2 -","- C102 H92 F24 N20 O8 P4 Ru4 -","2","1","","Cristina Sens; Isabel Romero; Montserrat Rodríguez; Antoni Llobet; Teodor Parella; Jordi Benet-Buchholz","A New Ru Complex Capable of Catalytically Oxidizing Water to Molecular Dioxygen","Journal of the American Chemical Society","2004","126","","7798","7799","10.1021/ja0486824","","","0.71073","MoKα","","0.0982","0.0601","","","0.151","0.1738","","","","","","1.038","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112706","14.973","0.009","14.973","0.009","9.96","0.008","90","","90","","120","","1934","2","183","2","183","2","","","","","","","","6","P -3","-P 3","147","NW(N[i-Pr]Ar)3","","","- C36 H57 N4 O0.5 Si W -","- C36 H57 N4 O0.5 Si W -","- C72 H114 N8 O Si2 W2 -","2","0.333333","","Christopher R. Clough; Jane B. Greco; Joshua S. Figueroa; Paula L. Diaconescu; William M. Davis; Christopher C. Cummins","Organic Nitriles from Acid Chlorides: An Isovalent N for (O)Cl Exchange Reaction Mediated by a Tungsten Nitride Complex","Journal of the American Chemical Society","2004","126","","7742","7743","10.1021/ja0492438","","","0.71073","MoKα","","0.0264","0.025","","","0.0583","0.0587","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112707","12.0919","0.001","16.4768","0.0013","20.0774","0.0016","91.902","0.002","100.977","0.001","90.695","0.001","3924.1","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","W(NC(O)CF3)(O2CCF3)(N[i-Pr]Ar)3","","","- C37 H48 F6 N4 O3 W -","- C37 H48 F6 N4 O3 W -","- C148 H192 F24 N16 O12 W4 -","4","2","","Christopher R. Clough; Jane B. Greco; Joshua S. Figueroa; Paula L. Diaconescu; William M. Davis; Christopher C. Cummins","Organic Nitriles from Acid Chlorides: An Isovalent N for (O)Cl Exchange Reaction Mediated by a Tungsten Nitride Complex","Journal of the American Chemical Society","2004","126","","7742","7743","10.1021/ja0492438","","","0.71073","MoKα","","0.056","0.0497","","","0.1302","0.1339","","","","","","1.002","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112708","9.8866","0.001","16.8619","0.0016","19.8088","0.0019","90","","90","","90","","3302.3","0.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","W(O)(Cl)(N[i-Pr]Ar)3","","","- C33 H48 Cl N3 O W -","- C33 H48 Cl N3 O W -","- C132 H192 Cl4 N12 O4 W4 -","4","1","","Christopher R. Clough; Jane B. Greco; Joshua S. Figueroa; Paula L. Diaconescu; William M. Davis; Christopher C. Cummins","Organic Nitriles from Acid Chlorides: An Isovalent N for (O)Cl Exchange Reaction Mediated by a Tungsten Nitride Complex","Journal of the American Chemical Society","2004","126","","7742","7743","10.1021/ja0492438","","","0.71073","MoKα","","0.0188","0.0181","","","0.0418","0.0421","","","","","","1.101","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112709","9.2218","0.0004","14.3152","0.0006","9.8666","0.0004","90","","101.799","0.001","90","","1274.99","0.09","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 Ni P2 Si3 -","- C22 H34.92 Ni P2 Si3 -","- C44 H69.84 Ni2 P4 Si6 -","2","1","","Wanzhi Chen; Shigeru Shimada; Masato Tanaka; Yuka Kobayashi; Kazuhiko Saigo","Reaction of [2-(SiH3)C6H4]2SiH2 with Ni(Et2PCH2CH2PEt2)(PEt3)2: Characterization of η2-(Si-H)Ni and NiIV-H Complexes","Journal of the American Chemical Society","2004","126","","8072","8073","10.1021/ja039244k","","","0.7107","MoKα","","","0.027","","","","0.069","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112710","8.8568","0.0008","19.7932","0.0018","16.5826","0.0015","90","","105.522","0.001","90","","2801","0.4","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H42 Cl2 Si2 Zr -","- C26 H42 Cl2 Si2 Zr -","- C104 H168 Cl8 Si8 Zr4 -","4","2","","Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw","Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts","Journal of the American Chemical Society","2004","126","","8216","8231","10.1021/ja040021j","","","0.71073","MoKα","","0.0375","0.034","","","0.0577","0.0582","","","","","","1.212","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112711","12.6459","0.0008","12.6459","0.0008","47.844","0.004","90","","90","","90","","7651.2","0.9","98","","98","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C38 H52 S2 Si2 Zr -","- C38 H52 S2 Si2 Zr -","- C304 H416 S16 Si16 Zr8 -","8","1","","Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw","Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts","Journal of the American Chemical Society","2004","126","","8216","8231","10.1021/ja040021j","","","0.71073","MoKα","","0.0566","0.0434","","","0.0587","0.0598","","","","","","1.549","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112712","10.3602","0.0005","13.1543","0.0007","14.0843","0.0007","97.199","0.001","104.068","0.001","106.275","0.001","1748.26","0.15","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C33.5 H54 Cl2 Si2 Zr -","- C33.5 H54 Cl2 Si2 Zr -","- C67 H108 Cl4 Si4 Zr2 -","2","2","","Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw","Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts","Journal of the American Chemical Society","2004","126","","8216","8231","10.1021/ja040021j","","","0.71073","MoKα","","0.0365","0.0299","","","0.0618","0.063","","","","","","1.447","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112713","13.2833","0.0007","19.3805","0.001","14.7651","0.0008","90","","107.195","0.001","90","","3631.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33.32 H52.64 Cl4.64 Si2 Zr -","- C33.3232 H52.6464 Cl4.6464 Si2 Zr -","- C133.293 H210.586 Cl18.5856 Si8 Zr4 -","4","2","","Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw","Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts","Journal of the American Chemical Society","2004","126","","8216","8231","10.1021/ja040021j","","","0.71073","MoKα","","0.0589","0.0374","","","0.0604","0.0643","","","","","","1.13","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112714","15.51","0.01","4.49","0.004","11.449","0.011","90","","91.567","0.013","90","","797","1.2","173.1","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 F14 -","- C22 F14 -","- C44 F28 -","2","0.5","","Youichi Sakamoto; Toshiyasu Suzuki; Masafumi Kobayashi; Yuan Gao; Yasushi Fukai; Youji Inoue; Fumio Sato; Shizuo Tokito","Perfluoropentacene: High-Performance p-n Junctions and Complementary Circuits with Pentacene","Journal of the American Chemical Society","2004","126","","8138","8140","10.1021/ja0476258","","","0.7107","MoKα","","","0.064","","","","0.204","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112715","12.2348","0.0011","15.2532","0.0013","21.2206","0.0018","96.005","0.002","90.298","0.002","91.165","0.002","3937.5","0.6","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C70.5 H120 O4 Si6 Y4 -","- C70.5 H120 O4 Si6 Y4 -","- C141 H240 O8 Si12 Y8 -","2","1","","Olivier Tardif; Daisuke Hashizume; Zhaomin Hou","Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes","Journal of the American Chemical Society","2004","126","","8080","8081","10.1021/ja047889u","","","0.71073","MoKα","","0.1501","0.0532","","","0.097","0.118","","","","","","0.844","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112716","26.15","0.002","12.1801","0.0011","23.553","0.002","90","","111.15","0.002","90","","6996.5","1","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H106 O5 Si6 Y4 -","- C60 H106 O5 Si6 Y4 -","- C240 H424 O20 Si24 Y16 -","4","0.5","","Olivier Tardif; Daisuke Hashizume; Zhaomin Hou","Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes","Journal of the American Chemical Society","2004","126","","8080","8081","10.1021/ja047889u","","","0.71073","MoKα","","0.073","0.0366","","","0.0651","0.0699","","","","","","0.768","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112717","12.2223","0.0014","13.9952","0.0016","24.05","0.003","97.319","0.002","92.998","0.002","92.442","0.002","4069.7","0.8","203","1","203","1","","","","","","","","5","P -1","-P 1","2","","","","- C74 H120 O6 Si6 Y4 -","- C74 H104 O6 Si6 Y4 -","- C148 H208 O12 Si12 Y8 -","2","1","","Olivier Tardif; Daisuke Hashizume; Zhaomin Hou","Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes","Journal of the American Chemical Society","2004","126","","8080","8081","10.1021/ja047889u","","","0.71073","MoKα","","0.0889","0.0468","","","0.1067","0.1192","","","","","","1.004","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112718","12.0952","0.0008","25.5168","0.0016","26.5227","0.0016","90","","90","","90","","8185.7","0.9","203","1","203","1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C76 H122 O2 Si6 Y4 -","- C76 H116 O2 Si6 Y4 -","- C304 H464 O8 Si24 Y16 -","4","0.5","","Olivier Tardif; Daisuke Hashizume; Zhaomin Hou","Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes","Journal of the American Chemical Society","2004","126","","8080","8081","10.1021/ja047889u","","","0.71073","MoKα","","0.1048","0.0418","","","0.0729","0.0833","","","","","","0.947","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112719","12.5184","0.001","12.7826","0.001","26.647","0.002","78.28","0.002","84.195","0.002","88.834","0.002","4153.7","0.6","153","1","153","1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H124 O Si6 Y4 -","- C76 H123.44 O Si6 Y4 -","- C152 H246.88 O2 Si12 Y8 -","2","1","","Olivier Tardif; Daisuke Hashizume; Zhaomin Hou","Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes","Journal of the American Chemical Society","2004","126","","8080","8081","10.1021/ja047889u","","","0.71073","MoKα","","0.0784","0.0392","","","0.0769","0.0847","","","","","","0.911","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112720","14.662","0.005","14.817","0.006","16.08","0.005","90","","94.063","0.03","90","","3485","2","","","20","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H61 Br2 Ni2 P4 -","- C26 H61 Br2 Ni2 P4 -","- C104 H244 Br8 Ni8 P16 -","4","1","","David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz","Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding","Journal of the American Chemical Society","2004","126","","8132","8133","10.1021/ja047956k","","neutron","","neutron","","","","","","","","","","1.39","","","","","","","has coordinates,has Fobs","178898","2020-10-21","18:00:00",""
"4112721","7.479","0.005","15.246","0.013","19.93","0.02","90","","90","","90","","2273","3","173","","","","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C13 H30 Br2 N2 Ni2 O2 P2 -","- C13 H30 Br2 N2 Ni2 O2 P2 -","- C52 H120 Br8 N8 Ni8 O8 P8 -","4","0.5","","David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz","Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding","Journal of the American Chemical Society","2004","126","","8132","8133","10.1021/ja047956k","","","0.7107","MoKα","","","0.083","","","","0.236","","","","","","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112722","10.74","0.04","22.33","0.08","14.66","0.07","90","","101.5","0.1","90","","3445","2","173","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H61 Br Ni2 P4 -","- C26 H61 Br Ni2 P4 -","- C104 H244 Br4 Ni8 P16 -","4","1","","David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz","Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding","Journal of the American Chemical Society","2004","126","","8132","8133","10.1021/ja047956k","","","0.7107","MoKα","","","0.104","","","","0.226","","","","","","1.164","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112723","11.337","0.011","15.64","0.01","19.15","0.03","90","","92.59","0.04","90","","3392","7","173","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H59 Br Ni2 P4 -","- C26 H59 Br Ni2 P4 -","- C104 H236 Br4 Ni8 P16 -","4","1","","David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz","Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding","Journal of the American Chemical Society","2004","126","","8132","8133","10.1021/ja047956k","","","0.7107","MoKα","","","0.136","","","","0.415","","","","","","1.41","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112724","3.9546","0.0008","3.9546","0.0008","14.611","0.003","90","","90","","90","","228.5","0.08","150","2","293","2","","","","","","","","2","I 4/m m m","-I 4 2","139","titanium antimonide","Titanium antimonide","","- Sb Ti2 -","- Sb Ti2 -","- Sb4 Ti8 -","4","0.125","","Shahab Derakhshan; Abdeljalil Assoud; Katja M. Kleinke; Enkhtsetseg Dashjav; Xiangyun Qiu; Simon J. L. Billinge; Holger Kleinke","Planar Nets of Ti Atoms Comprising Squares and Rhombs in the New Binary Antimonide Ti2Sb","Journal of the American Chemical Society","2004","126","","8295","8302","10.1021/ja048262e","","","0.71073","MoKα","","0.0293","0.0252","","","0.057","0.0577","","","","","","1.026","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112725","8.548","0.002","10.347","0.004","14.667","0.003","96.19","0.02","102.92","0.01","110.07","0.02","1163.2","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","4,4'-bis(tricyclohexylstannylmethyl)biphenyl","","- C25 H39 Sn -","- C25 H39 Sn -","- C50 H78 Sn2 -","2","1","","Hicham Elhamzaoui; Bernard Jousseaume; Hocine Riague; Thierry Toupance; Philippe Dieudonné; Cécile Zakri; Maryse Maugey; Hassan Allouchi","Self-Assembled Tin-Based Bridged Hybrid Materials","Journal of the American Chemical Society","2004","126","","8130","8131","10.1021/ja048272f","","","0.71073","MoKα","","0.1514","0.0797","","","0.1838","0.2089","","","","","","1.054","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112726","13.8","0.05","18.43","0.06","18.41","0.07","73.6","0.3","68.1","0.3","68","0.2","3972","3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N3 Ni -","- C16 H14 N3 Ni -","- C192 H168 N36 Ni12 -","12","6","","Thomas J. Anderson; Gavin D. Jones; David A. Vicic","Evidence for a NiI Active Species in the Catalytic Cross-Coupling of Alkyl Electrophiles","Journal of the American Chemical Society","2004","126","","8100","8101","10.1021/ja0483903","","","0.7107","MoKα","","0.349","0.1867","","","0.2776","0.3508","","","","","","1.173","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112727","10.429","0.012","12.149","0.008","21.08","0.02","90","","99.985","0.006","90","","2630","4","173","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 I N3 Ni -","- C27 H35 I N3 Ni -","- C108 H140 I4 N12 Ni4 -","4","1","","Thomas J. Anderson; Gavin D. Jones; David A. Vicic","Evidence for a NiI Active Species in the Catalytic Cross-Coupling of Alkyl Electrophiles","Journal of the American Chemical Society","2004","126","","8100","8101","10.1021/ja0483903","","","0.7107","MoKα","","","0.04","","","","0.113","","","","","","1.125","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112728","17.6581","0.0015","10.4884","0.0009","16.0575","0.0013","90","","104.633","0.002","90","","2877.5","0.4","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 B2 F8 -","- C36 H26 B2 F8.128 -","- C144 H104 B8 F32.512 -","4","1","","Huadong Wang; Charles Edwin Webster; Lisa M. Pérez; Michael B. Hall; François P. Gabbaï","Reaction of the 1,8-Bis(diphenylmethylium)naphthalenediyl Dication with Fluoride: Formation of a Cation Containing a C-F\ρightarrowC Bridge","Journal of the American Chemical Society","2004","126","","8189","8196","10.1021/ja048501y","","","0.71073","MoKα","","0.087","0.0622","","","0.1456","0.1711","","","","","","1.087","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112729","10.19","0.002","10.273","0.002","14.506","0.003","110.71","0.03","104.54","0.03","95.19","0.03","1347.7","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 B F5 -","- C36 H26 B F5 -","- C72 H52 B2 F10 -","2","1","","Huadong Wang; Charles Edwin Webster; Lisa M. Pérez; Michael B. Hall; François P. Gabbaï","Reaction of the 1,8-Bis(diphenylmethylium)naphthalenediyl Dication with Fluoride: Formation of a Cation Containing a C-F\ρightarrowC Bridge","Journal of the American Chemical Society","2004","126","","8189","8196","10.1021/ja048501y","","","0.71073","MoKα","","0.0389","0.0325","","","0.0821","0.0868","","","","","","1.032","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112730","9.938","0.003","22.373","0.006","7.4112","0.0019","90","","111.761","0.004","90","","1530.4","0.7","293","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TBDTA","[1,2,5]thiadiazaolo[3,4-f][1,3,2]benzodithiazol-2-yl","","- C6 H2 N3 S3 -","- C6 H2 N3 S3 -","- C48 H16 N24 S24 -","8","2","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistabilities in 1,3,2-Dithiazolyl Radicals","Journal of the American Chemical Society","2004","126","","8256","8265","10.1021/ja048618m","","","0.71073","MoKα","","0.0677","0.0423","","","0.0915","0.1015","","","","","","1.026","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112731","9.8847","0.0006","22.1526","0.0014","7.2905","0.0005","90","","111.549","0.001","90","","1484.83","0.17","95","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TBDTA","[1,2,5]thiadiazaolo[3,4-f][1,3,2]benzodithiazol-2-yl","","- C6 H2 N3 S3 -","- C6 H2 N3 S3 -","- C48 H16 N24 S24 -","8","2","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistabilities in 1,3,2-Dithiazolyl Radicals","Journal of the American Chemical Society","2004","126","","8256","8265","10.1021/ja048618m","","","0.71073","MoKα","","0.0383","0.0303","","","0.0691","0.0718","","","","","","1.06","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112732","6.9963","0.0007","7.8859","0.0007","11.4386","0.0011","110.257","0.001","95.155","0.002","103.625","0.002","565.14","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","PDTA","[1,3,2]pyrazinodithiazol-2-yl","","- C4 H2 N3 S2 -","- C4 H2 N3 S2 -","- C16 H8 N12 S8 -","4","2","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistabilities in 1,3,2-Dithiazolyl Radicals","Journal of the American Chemical Society","2004","126","","8256","8265","10.1021/ja048618m","","","0.71073","MoKα","","0.0486","0.0341","","","0.0879","0.0949","","","","","","1.052","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112733","6.8564","0.0008","7.8466","0.0009","11.3107","0.0013","109.965","0.002","94.944","0.002","103.483","0.002","546.95","0.11","95","2","95","2","","","","","","","","4","P -1","-P 1","2","PDTA","[1,3,2]pyrazinodithiazol-2-yl","","- C4 H2 N3 S2 -","- C4 H2 N3 S2 -","- C16 H8 N12 S8 -","4","2","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistabilities in 1,3,2-Dithiazolyl Radicals","Journal of the American Chemical Society","2004","126","","8256","8265","10.1021/ja048618m","","","0.71073","MoKα","","0.0527","0.0339","","","0.0801","0.0874","","","","","","1.02","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112734","11.79","0.001","17.993","0.001","19.885","0.001","90","","107.295","0.002","90","","4027.6","0.5","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C77 H94 N2 O14 P2 W4 -","- C77 H94 N2 O14 P2 W4 -","- C154 H188 N4 O28 P4 W8 -","2","1","","Malcolm H. Chisholm; Robin J. H. Clark; Judith Gallucci; Christopher M. Hadad; Nathan J. Patmore","Electronically-Coupled Tungsten-Tungsten Quadruple Bonds: Comparisons of Electron Delocalization in 3,6-Dioxypyridazine and Oxalate-Bridged Compounds","Journal of the American Chemical Society","2004","126","","8303","8313","10.1021/ja048768x","","","0.71073","MoKα","","0.0355","0.0286","","","0.0592","0.0614","","","","","","1.033","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112735","19.915","0.001","34.809","0.002","20.334","0.001","90","","109.895","0.003","90","","13254.7","1.2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H88 F6 N2 O18 P W4 -","- C50 H88 F6 N2 O18 P W4 -","- C400 H704 F48 N16 O144 P8 W32 -","8","2","","Malcolm H. Chisholm; Robin J. H. Clark; Judith Gallucci; Christopher M. Hadad; Nathan J. Patmore","Electronically-Coupled Tungsten-Tungsten Quadruple Bonds: Comparisons of Electron Delocalization in 3,6-Dioxypyridazine and Oxalate-Bridged Compounds","Journal of the American Chemical Society","2004","126","","8303","8313","10.1021/ja048768x","","","0.71073","MoKα","","0.0995","0.0443","","","0.1085","0.1279","","","","","","1.019","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112736","15.0844","0.0018","11.137","0.002","27.709","0.005","90","0.003","90","0.003","90","0.003","4655","1.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H18 Cd F12 N2 O4 -","- C16 H18 Cd F12.018 N2 O4 -","- C128 H144 Cd8 F96.144 N16 O32 -","8","1","","Andrew W. Metz; John R. Ireland; Jian-Guo Zheng; Ricardo P. S. M. Lobo; Yu Yang; Jun Ni; Charlotte L. Stern; Vinayak P. Dravid; Nicole Bontemps; Carl R. Kannewurf; Kenneth R. Poeppelmeier; Tobin J. Marks","Transparent Conducting Oxides: Texture and Microstructure Effects on Charge Carrier Mobility in MOCVD-Derived CdO Thin Films Grown with A Thermally Stable, Low-Melting Precursor","Journal of the American Chemical Society","2004","126","","8477","8492","10.1021/ja039232z","","","0.71069","MoKα","","0.0659","0.0593","","","0.1248","0.1292","","","","","","1.171","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112737","9.191","0.006","17.281","0.011","16.136","0.011","90","0.01","94.47","0.01","90","0.01","2555","3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cd F12 N2 O4 -","- C18 H22 Cd F12 N2 O4 -","- C72 H88 Cd4 F48 N8 O16 -","4","1","","Andrew W. Metz; John R. Ireland; Jian-Guo Zheng; Ricardo P. S. M. Lobo; Yu Yang; Jun Ni; Charlotte L. Stern; Vinayak P. Dravid; Nicole Bontemps; Carl R. Kannewurf; Kenneth R. Poeppelmeier; Tobin J. Marks","Transparent Conducting Oxides: Texture and Microstructure Effects on Charge Carrier Mobility in MOCVD-Derived CdO Thin Films Grown with A Thermally Stable, Low-Melting Precursor","Journal of the American Chemical Society","2004","126","","8477","8492","10.1021/ja039232z","","","0.71069","MoKα","","0.0817","0.063","","","0.183","0.2069","","","","","","1.027","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112738","9.854","0.001","13.947","0.002","13.89","0.002","90","","114.56","0.01","90","","1736.2","0.4","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","David Tejedor; David González-Cruz; Fernando García-Tellado; José Juan Marrero-Tellado; Matías López Rodríguez","A Diversity-Oriented Strategy for the Construction of Tetrasubstituted Pyrroles via Coupled Domino Processes","Journal of the American Chemical Society","2004","126","","8390","8391","10.1021/ja047396p","","","0.71073","MoKα","","0.0821","0.0751","","","0.1943","0.2015","","","","","","1.014","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112739","13.976","0.001","4.109","0.0001","10.927","0.001","90","","110.118","0.007","90","","589.22","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 S3 -","- C5 H3 S3 -","- C20 H12 S12 -","4","1","","Marta Mas-Torrent; Peter Hadley; Stefan T. Bromley; Xavi Ribas; Judit Tarrés; Montserrat Mas; Elies Molins; Jaume Veciana; Concepció Rovira","Correlation between Crystal Structure and Mobility in Organic Field-Effect Transistors Based on Single Crystals of Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2004","126","","8546","8553","10.1021/ja048342i","","","0.70926","","","0.0861","0.0342","","","0.0852","0.0992","","","","","","1.052","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112740","6.379","0.003","7.835","0.009","12.3","0.01","102.53","0.06","93.15","0.06","92.89","0.06","598","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 S6 -","- C10 H8 S6 -","- C20 H16 S12 -","2","1","","Marta Mas-Torrent; Peter Hadley; Stefan T. Bromley; Xavi Ribas; Judit Tarrés; Montserrat Mas; Elies Molins; Jaume Veciana; Concepció Rovira","Correlation between Crystal Structure and Mobility in Organic Field-Effect Transistors Based on Single Crystals of Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2004","126","","8546","8553","10.1021/ja048342i","","","0.70926","","","0.0792","0.0522","","","0.1583","0.174","","","","","","1.055","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112741","12.2734","0.001","12.3288","0.001","25.6","0.002","91.116","0.001","101.014","0.001","118.295","0.001","3320.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 B N7 O S Zn -","- C36 H34 B N7 O S Zn -","- C144 H136 B4 N28 O4 S4 Zn4 -","4","2","","David T. Puerta; Jana A. Lewis; Seth M. Cohen","New Beginnings for Matrix Metalloproteinase Inhibitors: Identification of High-Affinity Zinc-Binding Groups","Journal of the American Chemical Society","2004","126","","8388","8389","10.1021/ja0485513","","","0.71073","MoKα","","0.0888","0.0738","","","0.1787","0.1864","","","","","","1.067","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112742","11.7126","0.0012","18.0552","0.0019","25.683","0.003","106.762","0.002","90.346","0.002","104.607","0.002","5014.2","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H36 B N7 O S Zn -","- C37 H36 B N7 O S Zn -","- C222 H216 B6 N42 O6 S6 Zn6 -","6","3","","David T. Puerta; Jana A. Lewis; Seth M. Cohen","New Beginnings for Matrix Metalloproteinase Inhibitors: Identification of High-Affinity Zinc-Binding Groups","Journal of the American Chemical Society","2004","126","","8388","8389","10.1021/ja0485513","","","0.71073","MoKα","","0.1102","0.0648","","","0.1177","0.1324","","","","","","1.028","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112743","26.5165","0.0015","26.5165","0.0015","27.736","0.002","90","","90","","120","","16889.1","1.8","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C38 H35 B N6 O2 S Zn -","- C38 H35 B N6 O2 S Zn -","- C684 H630 B18 N108 O36 S18 Zn18 -","18","1","","David T. Puerta; Jana A. Lewis; Seth M. Cohen","New Beginnings for Matrix Metalloproteinase Inhibitors: Identification of High-Affinity Zinc-Binding Groups","Journal of the American Chemical Society","2004","126","","8388","8389","10.1021/ja0485513","","","0.71073","MoKα","","0.0908","0.0665","","","0.1967","0.2107","","","","","","0.981","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112744","10.6259","0.0001","15.5533","0.0001","17.0817","0.0001","87.7054","0.0003","73.0004","0.0003","74.681","0.0003","2601.67","0.03","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H48 N Ni P3 S3 Se -","- C60 H48 N Ni P3 S3 Se -","- C120 H96 N2 Ni2 P6 S6 Se2 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Shyue-Chu Ke; Gene-Hsiang Lee; Wen-Feng Liaw","Mononuclear Nickel(III) and Nickel(II) Thiolate Complexes with Intramolecular S-H Proton Interacting with Both Sulfur and Nickel: Relevance to the [NiFe]/[NiFeSe] Hydrogenases","Journal of the American Chemical Society","2004","126","","8406","8412","10.1021/ja048568l","","","0.71073","MoKα","","0.0754","0.0459","","","0.1069","0.1375","","","","","","1.107","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112745","10.6126","0.0001","15.4981","0.0001","17.0564","0.0001","88.5126","0.0003","72.4657","0.0003","75.9386","0.0003","2591.47","0.03","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 N Ni P3 S5 -","- C58 H46 N Ni P3 S5 -","- C116 H92 N2 Ni2 P6 S10 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Shyue-Chu Ke; Gene-Hsiang Lee; Wen-Feng Liaw","Mononuclear Nickel(III) and Nickel(II) Thiolate Complexes with Intramolecular S-H Proton Interacting with Both Sulfur and Nickel: Relevance to the [NiFe]/[NiFeSe] Hydrogenases","Journal of the American Chemical Society","2004","126","","8406","8412","10.1021/ja048568l","","","0.71073","MoKα","","0.0843","0.0543","","","0.1379","0.1641","","","","","","1.099","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112746","10.1387","0.0005","14.0357","0.0008","19.3833","0.0011","90","","90.108","0.002","90","","2758.3","0.3","150","1","150","1","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C64 H55 N Ni O P3 S3 Se -","- C64 H55 N Ni O P3 S3 Se -","- C128 H110 N2 Ni2 O2 P6 S6 Se2 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Shyue-Chu Ke; Gene-Hsiang Lee; Wen-Feng Liaw","Mononuclear Nickel(III) and Nickel(II) Thiolate Complexes with Intramolecular S-H Proton Interacting with Both Sulfur and Nickel: Relevance to the [NiFe]/[NiFeSe] Hydrogenases","Journal of the American Chemical Society","2004","126","","8406","8412","10.1021/ja048568l","","","0.71073","MoKα","","0.0704","0.0526","","","0.1014","0.1168","","","","","","1.029","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112747","10.1789","0.0001","13.9338","0.0001","19.1972","0.0002","90","","91.5874","0.0003","90","","2721.71","0.04","150","1","150","1","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C62 H53 N Ni O P3 S5 -","- C62 H53 N Ni O P3 S5 -","- C124 H106 N2 Ni2 O2 P6 S10 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Shyue-Chu Ke; Gene-Hsiang Lee; Wen-Feng Liaw","Mononuclear Nickel(III) and Nickel(II) Thiolate Complexes with Intramolecular S-H Proton Interacting with Both Sulfur and Nickel: Relevance to the [NiFe]/[NiFeSe] Hydrogenases","Journal of the American Chemical Society","2004","126","","8406","8412","10.1021/ja048568l","","","0.71073","MoKα","","0.0645","0.0486","","","0.1142","0.1341","","","","","","1.096","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112748","15.054","0.004","15.617","0.004","17.04","0.005","90","","90","","90","","4006.1","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H35 Cl N Rh -","- C19 H35 Cl N Rh -","- C152 H280 Cl8 N8 Rh8 -","8","1","","Vincent Lavallo; John Mafhouz; Yves Canac; Bruno Donnadieu; Wolfgand W. Schoeller; Guy Bertrand","Synthesis, Reactivity, and Ligand Properties of a Stable Alkyl Carbene","Journal of the American Chemical Society","2004","126","","8670","8671","10.1021/ja047503f","","","0.71073","MoKα","","0.0397","0.0284","","","0.0676","0.0767","","","","","","1.076","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112749","15.7564","0.0006","10.855","0.0009","6.9155","0.0012","90","","90","","90","","1182.8","0.2","223","2","223","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C5.5 H11.5 N0.5 -","- C5.5 H11.5 N0.5 -","- C44 H92 N4 -","8","1","","Vincent Lavallo; John Mafhouz; Yves Canac; Bruno Donnadieu; Wolfgand W. Schoeller","Synthesis, Reactivity, and Ligand Properties of a Stable Alkyl Carbene","Journal of the American Chemical Society","2004","126","","8670","8671","10.1021/ja047503f","","","0.71073","","","0.0609","0.0495","","","0.1326","0.1469","","","","","","1.04","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112750","15.367","0.002","8.8154","0.0014","12.4772","0.0019","90","","113.926","0.003","90","","1545","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 N O2 -","- C15 H29 N O2 -","- C60 H116 N4 O8 -","4","1","","Vincent Lavallo; John Mafhouz; Yves Canac; Bruno Donnadieu; Wolfgand W. Schoeller","Synthesis, Reactivity, and Ligand Properties of a Stable Alkyl Carbene","Journal of the American Chemical Society","2004","126","","8670","8671","10.1021/ja047503f","","","0.71073","MoKα","","0.0584","0.0434","","","0.1083","0.1178","","","","","","1.043","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112751","11.1359","0.0008","14.2633","0.0011","12.4072","0.0009","90","","92.098","0.001","90","","1969.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(tert-Butyldimethylsilyl)-3-(4-methoxyphenyl)-2-phenyl-2H-azirine","","- C21 H27 N O Si -","- C21 H27 N O Si -","- C84 H108 N4 O4 Si4 -","4","1","","Kazunari Yagi; Takayuki Tsuritani; Kazuaki Takami; Hiroshi Shinokubo; Koichiro Oshima","Reaction of Silyldihalomethyllithiums with Nitriles: Formation of α-Keto Acylsilanes via Azirines and 1,3-Rearrangement of Silyl Group from C to N","Journal of the American Chemical Society","2004","126","","8618","8619","10.1021/ja047708o","","","0.71073","MoKα","","0.0691","0.0541","","","0.1581","0.1782","","","","","","0.669","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112752","16.8736","0.0009","13.7378","0.0008","17.1988","0.0009","90","","95.827","0.001","90","","3966.2","0.4","223.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 O2 -","- C27 H20 O2 -","- C216 H160 O16 -","8","1","","Hiroyuki Wakui; Satoshi Kawasaki; Tetsuya Satoh; Masahiro Miura; Masakatsu Nomura","Palladium-Catalyzed Reaction of 2-Hydroxy-2-methylpropiophenone with Aryl Bromides: A Unique Multiple Arylation via Successive C-C and C-H Bond Cleavages","Journal of the American Chemical Society","2004","126","","8658","8659","10.1021/ja0477874","","","0.7107","MoKα","","","0.0968","","","","0.1871","","","","","","1.577","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112753","9.9538","0.0013","22.3646","0.0016","14.2594","0.0013","90","","91.787","0.008","90","","3172.8","0.6","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 N2 Re S -","- C33 H43 N2 Re S -","- C132 H172 N8 Re4 S4 -","4","1","","Xiaoyan Li; Markus Schopf; Jürgen Stephan; Jennifer Kippe; Klaus Harms; Jörg Sundermeyer","Simple Synthesis of an Allenylidene Heptavalent Rhenium(d0) Complex","Journal of the American Chemical Society","2004","126","","8660","8661","10.1021/ja048030f","","","0.71073","MoKα","","0.1168","0.0493","","","0.1114","0.1321","","","","","","0.844","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112754","11.196","0.001","8.7892","0.0007","13.566","0.001","90","","108.307","0.002","90","","1267.38","0.18","285.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H28 N O4 P -","- C29 H26 N O4 P -","- C58 H52 N2 O8 P2 -","2","1","","Shigeki Matsunaga; Takamasa Yoshida; Hiroyuki Morimoto; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Mannich-type Reaction of Hydroxyketone Using a Et2Zn/Linked-BINOL Complex: Synthesis of Either anti- or syn-β-Amino Alcohols","Journal of the American Chemical Society","2004","126","","8777","8785","10.1021/ja0482435","","","0.7107","MoKα","","","0.0386","","","","0.0893","","","","","","0.737","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112755","9.4052","0.0008","10.23","0.001","23.815","0.002","90","","97.492","0.003","90","","2271.8","0.4","298.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","1","","Shigeki Matsunaga; Takamasa Yoshida; Hiroyuki Morimoto; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Mannich-type Reaction of Hydroxyketone Using a Et2Zn/Linked-BINOL Complex: Synthesis of Either anti- or syn-β-Amino Alcohols","Journal of the American Chemical Society","2004","126","","8777","8785","10.1021/ja0482435","","","0.7107","MoKα","","","0.05","","","","0.13","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112756","15.016","0.0012","15.016","0.0011","15.016","0.0013","90","0.006","90","0.007","90","0.006","3385.8","0.5","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C16 H72 O64 Zn8 -","- C16 O63.976 Zn8 -","- C32 O127.952 Zn16 -","2","0.0416667","","Brendan F. Abrahams; Timothy A. Hudson; Richard Robson","Highly Symmetric Networks Derived from Cubane-Related Octametallic Complexes of a New Oxyanion of Carbon, C4O74-, Each Molecule Attached to Eight Neighbors by 24 Equivalent Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","8624","8625","10.1021/ja048293+","","","1.5418","CuKα","","0.0248","0.0248","","","0.0652","0.0653","","","","","","1.132","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112757","15.012","0.003","15.012","0.003","15.012","0.003","90","","90","","90","","3383.1","1.2","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C16 H72 Co8 O64 -","- C16 Co8 O63.796 -","- C32 Co16 O127.592 -","2","0.0416667","","Brendan F. Abrahams; Timothy A. Hudson; Richard Robson","Highly Symmetric Networks Derived from Cubane-Related Octametallic Complexes of a New Oxyanion of Carbon, C4O74-, Each Molecule Attached to Eight Neighbors by 24 Equivalent Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","8624","8625","10.1021/ja048293+","","","0.71069","MoKα","","0.0406","0.0346","","","0.0844","0.0876","","","","","","1.108","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112758","15.0971","0.0019","15.0971","0.0019","15.0971","0.0019","90","","90","","90","","3441","0.8","273","2","273","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C16 H72 Fe8 O64 -","- C16 Fe8 O64.06 -","- C32 Fe16 O128.12 -","2","0.0416667","","Brendan F. Abrahams; Timothy A. Hudson; Richard Robson","Highly Symmetric Networks Derived from Cubane-Related Octametallic Complexes of a New Oxyanion of Carbon, C4O74-, Each Molecule Attached to Eight Neighbors by 24 Equivalent Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","8624","8625","10.1021/ja048293+","","","0.71073","MoKα","","0.0496","0.0432","","","0.0964","0.0987","","","","","","1.092","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112759","15.0053","0.0005","15.0053","0.0005","15.0053","0.0005","90","","90","","90","","3378.58","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C16 H72 Mg8 O64 -","- C16 Mg8 O62.62 -","- C32 Mg16 O125.24 -","2","0.0416667","","Brendan F. Abrahams; Timothy A. Hudson; Richard Robson","Highly Symmetric Networks Derived from Cubane-Related Octametallic Complexes of a New Oxyanion of Carbon, C4O74-, Each Molecule Attached to Eight Neighbors by 24 Equivalent Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","8624","8625","10.1021/ja048293+","","","1.5418","CuKα","","0.068","0.0585","","","0.1561","0.1664","","","","","","1.138","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112760","49.8735","0.0011","10.8667","0.0003","18.3822","0.0004","90","","110","","90","","9361.6","0.4","183.2","","183.2","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H46 B Cl4 F4 Ir N2 P2 -","- C47 H46 B Cl4 F4 Ir N2 P2 -","- C376 H368 B8 Cl32 F32 Ir8 N16 P16 -","8","1","","Eric Clot; Junyi Chen; Dong-Heon Lee; So Young Sung; Leah N. Appelhans; Jack W. Faller; Robert H. Crabtree; Odile Eisenstein","Double Geminal C-H Activation and Reversible α-Elimination in 2-Aminopyridine Iridium(III) Complexes: The Role of Hydrides and Solvent in Flattening the Free Energy Surface","Journal of the American Chemical Society","2004","126","","8795","8804","10.1021/ja048473j","","","0.7107","MoKα","","0.0747","0.039","","0.06","","0.05","","","1.26","","","1.43","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112761","19.745","0.0015","16.541","0.002","20.034","0.003","90","","91.675","0.006","90","","6540.3","1.4","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","C60Me5Ph5O3(OH)2","","- C104 H46 Cl1.5 O4 -","- C104 H46 Cl1.5 O4 -","- C416 H184 Cl6 O16 -","4","1","","Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura","Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives","Journal of the American Chemical Society","2004","126","","8725","8734","10.1021/ja048683w","","x-ray","0.71073","MoKα","","0.2426","0.1447","","","0.3653","0.4266","","","","","","1.265","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112762","14.992","0.0017","27.547","0.002","32.73","0.0014","90","","97.044","0.005","90","","13415","1.9","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","Pd-allyl-C60Ph5Me5CN","","- C105 H50 Cl N Pd -","- C105 H50 Cl N Pd -","- C840 H400 Cl8 N8 Pd8 -","8","2","","Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura","Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives","Journal of the American Chemical Society","2004","126","","8725","8734","10.1021/ja048683w","","x-ray","0.71073","MoKα","","0.1801","0.1054","","","0.2705","0.324","","","","","","0.993","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112763","14.346","0.0007","14.583","0.0014","32.122","0.003","90","","90","","90","","6720.2","1","193","2","193","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","RhC60Me5CNPh3codTHF3","","- C104 H66 N O3 Rh -","- C104 H66 N O3 Rh -","- C416 H264 N4 O12 Rh4 -","4","1","","Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura","Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives","Journal of the American Chemical Society","2004","126","","8725","8734","10.1021/ja048683w","","x-ray","0.71073","MoKα","","0.0955","0.0789","","","0.1981","0.2162","","","","","","1.041","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112764","11.562","0.0004","12.244","0.0005","15.14","0.0008","74.269","0.0018","80.129","0.0015","84.017","0.004","2028.71","0.15","130","2","130","2","","","","","","","","7","P -1","-P 1","2","CpsIrdmpmCl","[Cp*Ir(dmpm)Cl][BArF4]","","- C39 H29 B Cl F20 Ir P2 -","- C39 H29 B Cl F20 Ir P2 -","- C78 H58 B2 Cl2 F40 Ir2 P4 -","2","1","","Ricard Gelabert; Miquel Moreno; José M. Lluch; Agustí Lledós; Vincent Pons; Michael D. Heinekey","Synthesis and Properties of Compressed Dihydride Complexes of Iridium: Theoretical and Spectroscopic Investigations","Journal of the American Chemical Society","2004","126","","8813","8822","10.1021/ja048775l","","","0.71073","MoKα","","0.0811","0.0545","","","0.1101","0.1191","","","","","","0.997","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112765","16.7925","0.0006","16.7925","0.0006","17.456","0.0009","90","","90","","90","","4922.4","0.4","203","","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","[Fe4(sap)4(MeOH)4]2H2O","","","- C44 H60 Fe4 N4 O14 -","- C11 H15 Fe N O3.5 -","- C176 H240 Fe16 N16 O56 -","16","1","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.04","0.0316","","","0.0847","0.0908","","","","","","1.032","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112766","17.0854","0.0018","17.0854","0.0018","18.391","0.002","90","","90","","90","","5368.5","1","203","","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","[Fe4(5-Br-sap)4(MeOH)4]","","- C44 H56 Br4 Fe4 N4 O12 -","- C44 H52 Br4 Fe4 N4 O12 -","- C176 H208 Br16 Fe16 N16 O48 -","4","0.25","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.0754","0.0612","","","0.1671","0.1763","","","","","","0.905","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112767","14.8579","0.0018","15.053","0.002","16.847","0.002","68.683","0.003","71.203","0.003","69.484","0.004","3204.5","0.7","203","","203","","","","","","","","","5","P -1","-P 1","2","","[Fe4(3-MeO-sap)4(MeOH)4]2MeOH","","- C50 H76 Fe4 N4 O18 -","- C50 H75 Fe4 N4 O18 -","- C100 H150 Fe8 N8 O36 -","2","1","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.1239","0.0812","","","0.253","0.2797","","","","","","0.933","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112768","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","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[Fe4(sae)4(MeOH)4]","","- C40 H52 Fe4 N4 O12 -","- C40 H36 Fe4 N4 O12 -","- C80 H72 Fe8 N8 O24 -","2","1","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.0477","0.0338","","","0.0898","0.0959","","","","","","1.022","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112769","14.609","0.003","16.08","0.003","21.98","0.004","80.253","0.006","87.931","0.007","86.608","0.007","5078.1","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[Fe4(5-Br-sae)4(MeOH)4]","","- C42 H56 Br4 Fe4 N4 O14 -","- C41 H44 Br4 Fe4 N4 O13 -","- C164 H176 Br16 Fe16 N16 O52 -","4","2","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.1413","0.064","","","0.1376","0.1563","","","","","","0.785","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112770","16.5583","0.0009","16.5583","0.0009","18.7408","0.0015","90","","90","","90","","5138.3","0.6","203","","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","[Fe4(3,5-Cl2-sae)4(MeOH)4]","","- C40 H44 Cl8 Fe4 N4 O12 -","- C40 H44 Cl8 Fe4 N4 O12 -","- C160 H176 Cl32 Fe16 N16 O48 -","4","0.25","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.0533","0.0296","","","0.0591","0.0626","","","","","","0.845","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112771","11.8023","0.0007","5.5042","0.0003","14.5073","0.0008","90","","111.572","0.001","90","","876.42","0.09","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C42 H44 O8 -","2","1","","P. Andrew Evans; Michael J. Lawler","Regio- and Diastereoselective Rhodium-Catalyzed Allylic Substitution with Acyclic α-Alkoxy-Substituted Copper(I) Enolates: Stereodivergent Approach to 2,3,6-Trisubstituted Dihydropyrans","Journal of the American Chemical Society","2004","126","","8642","8643","10.1021/ja049080n","","","0.71073","MoKα","","0.0344","0.0294","","","0.0681","0.0715","","","","","","1.049","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4112772","12.944","0.018","27.2","0.05","8.28","0.01","90","","99.4","0.1","90","","2876","8","293","","293","","","","","","","","?","8","P 1 21/n 1","-P 2yn","14","","","","- C20.75 H34 B Cl Mo N6 O2 P -","- C20.75 H34 B Cl Mo N6 O2 P -","- C83 H136 B4 Cl4 Mo4 N24 O8 P4 -","4","1","","Victor N. Nemykin; Julia Laskin; Partha Basu","Isolation, Characterization of an Intermediate in an Oxygen Atom-Transfer Reaction, and the Determination of the Bond Dissociation Energy","Journal of the American Chemical Society","2004","126","","8604","8605","10.1021/ja049121f","","","0.71073","MoKα","","0.2289","0.0578","","0.3542","0.1275","0.1275","","","","","","0.9874","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112773","29.7502","0.0004","24.2689","0.0007","20.0769","0.0007","90","0","90","0","90","0","14495.6","0.7","298","","","","","","","","","","synthesis as described","4","F d d 2","F 2 -2d","43","","","","- C133 H32 Cl2 N2 -","- C132.5 H32 Cl2 N2 -","- C1060 H256 Cl16 N16 -","8","0.5","","Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura","Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives","Journal of the American Chemical Society","2004","126","","8725","8734","10.1021/ja048683w","","","0.71073","xray","","","0.033","","","0.036","","","","","3.112","3.112","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112774","13.267","0.0017","21.482","0.003","16.249","0.002","90","","90.439","0.003","90","","4630.9","1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C84 H70 F12 N10 O12 Rh2 S4 -","- C84 H70 F12 N10 O12 Rh2 S4 -","- C168 H140 F24 N20 O24 Rh4 S8 -","2","1","","Yan Lou; Manabu Horikawa; Robin A. Kloster; Natalie A. Hawryluk; E. J. Corey","A New Chiral Rh(II) Catalyst for Enantioselective [2 + 1]-Cycloaddition. Mechanistic Implications and Applications","Journal of the American Chemical Society","2004","126","","8916","8918","10.1021/ja047064k","","","0.71073","MoKα","","0.0839","0.0758","","","0.1792","0.1846","","","","","","1.181","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112775","14.2337","0.0014","13.821","0.0015","20.4729","0.0018","90","","91.568","0.002","90","","4026","0.7","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H72 F12 N8 O16 Rh2 S4 -","- C74 H72 F12 N8 O16 Rh2 S4 -","- C148 H144 F24 N16 O32 Rh4 S8 -","2","1","","Yan Lou; Manabu Horikawa; Robin A. Kloster; Natalie A. Hawryluk; E. J. Corey","A New Chiral Rh(II) Catalyst for Enantioselective [2 + 1]-Cycloaddition. Mechanistic Implications and Applications","Journal of the American Chemical Society","2004","126","","8916","8918","10.1021/ja047064k","","","0.71073","MoKα","","0.1105","0.0741","","","0.1065","0.1188","","","","","","0.954","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112776","10.2661","0.0018","20.534","0.004","25.037","0.004","90","","90","","90","","5277.9","1.6","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H48 F6 N6 O10 Rh2 S2 -","- C46 H48 F6 N6 O10 Rh2 S2 -","- C184 H192 F24 N24 O40 Rh8 S8 -","4","1","","Yan Lou; Manabu Horikawa; Robin A. Kloster; Natalie A. Hawryluk; E. J. Corey","A New Chiral Rh(II) Catalyst for Enantioselective [2 + 1]-Cycloaddition. Mechanistic Implications and Applications","Journal of the American Chemical Society","2004","126","","8916","8918","10.1021/ja047064k","","","0.71073","MoKα","","0.084","0.078","","","0.1246","0.1262","","","","","","1.411","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112777","13.533","0.005","13.533","0.005","51.977","0.005","90","0.005","90","0.005","120","0.005","8244","4","100","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C18 H9.5 Br6 F9 N Sb1.5 -","- C18 H10 Br6 F9 N Sb1.5 -","- C216 H120 Br72 F108 N12 Sb18 -","12","0.333333","","Yasujiro Murata; Fuyong Cheng; Toshikazu Kitagawa; Koichi Komatsu","Generation of Fullerenyl Cation (EtO)2P+(OH)CH2-C60+ from RC60-H and from RC60-C60R (R = CH2P(O)(OEt)2)","Journal of the American Chemical Society","2004","126","","8874","8875","10.1021/ja047483h","","","0.71069","MoKα","","0.1146","0.0675","","","0.169","0.1859","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112778","8.569","0.0014","11.644","0.002","27.952","0.005","90","","90","","90","","2789","0.8","298","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C12 H20 O2 S3 -","- C12 H20 O2 S3 -","- C96 H160 O16 S24 -","8","1","","Juzo Nakayama; Satoshi Aoki; Jun Takayama; Akira Sakamoto; Yoshiaki Sugihara; Akihiko Ishii","Reversible Disulfur Monoxide (S2O)-Forming Retro-Diels-Alder Reaction. Disproportionation of S2O to Trithio-Ozone (S3) and Sulfur Dioxide (SO2) and Reactivities of S2O and S3","Journal of the American Chemical Society","2004","126","","9085","9093","10.1021/ja047729i","","","0.71073","MoKα","","0.1302","0.0742","","","0.1764","0.1951","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112779","8.002","0.0012","9.086","0.0013","11.798","0.003","69.516","0.006","83.248","0.006","67.72","0.02","743.4","0.3","298","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C12 H20 O S4 -","- C12 H20 O S4 -","- C24 H40 O2 S8 -","2","1","","Juzo Nakayama; Satoshi Aoki; Jun Takayama; Akira Sakamoto; Yoshiaki Sugihara; Akihiko Ishii","Reversible Disulfur Monoxide (S2O)-Forming Retro-Diels-Alder Reaction. Disproportionation of S2O to Trithio-Ozone (S3) and Sulfur Dioxide (SO2) and Reactivities of S2O and S3","Journal of the American Chemical Society","2004","126","","9085","9093","10.1021/ja047729i","","","0.71073","MoKα","","0.1379","0.073","","","0.1726","0.1979","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112780","15.0248","0.0009","19.0019","0.0012","13.4159","0.0008","90","","100.556","0.001","90","","3765.4","0.4","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(Tp)Fe(CN)3Cu(MeOH)(CN)3Fe(Tp),2(MeOH)","","- C27 H32 B2 Cu Fe2 N18 O3 -","- C27 H32 B2 Cu Fe2 N18 O3 -","- C108 H128 B8 Cu4 Fe8 N72 O12 -","4","1","","Shi Wang; Jing-Lin Zuo; Song Gao; You Song; Hong-Cai Zhou; Yuan-Zhu Zhang; Xiao-Zeng You","The Observation of Superparamagnetic Behavior in Molecular Nanowires","Journal of the American Chemical Society","2004","126","","8900","8901","10.1021/ja0483995","","","0.71073","MoKα","","0.0597","0.0362","","","0.0796","0.0825","","","","","","1.027","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112781","5.758","0.006","19.684","0.019","8.544","0.008","90","","92.51","0.02","90","","967.5","1.6","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H30 N O6 P -","- C19 H30 N O6 P -","- C38 H60 N2 O12 P2 -","2","1","","Yingchun Li; Sarah D. Aubert; Eugene G. Maes; Frank M. Raushel","Enzymatic Resolution of Chiral Phosphinate Esters","Journal of the American Chemical Society","2004","126","","8888","8889","10.1021/ja048457m","","","1.54178","CuKα","","0.1129","0.0641","","","0.1263","0.1475","","","","","","1.078","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112782","9.415","0.003","9.858","0.003","14.708","0.004","79.67","0.03","83.31","0.03","77.89","0.03","1308.7","0.7","173","2","173","2","","","","","","","Grotjahn Lab","5","P -1","-P 1","2","Ir-2-butyne complex","","","- C22 H48 Cl Ir P2 -","- C22 H48 Cl Ir P2 -","- C44 H96 Cl2 Ir2 P4 -","2","1","","Douglas B. Grotjahn; Justin M. Hoerter; John L. Hubbard","Double C-H Activation during Functionalization of Phenyl(methyl)ketene on Iridium(I) Using Alkynes. Synthesis of 1,4-Dien-3-ones","Journal of the American Chemical Society","2004","126","","8866","8867","10.1021/ja048489+","","","0.71073","MoKα","","0.0398","0.0371","","0.096","0.0936","","","","1.079","1.087","1.087","","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112783","10.028","0.001","15.732","0.002","21.362","0.002","90","","98.54","0.01","90","","3332.7","0.6","173","2","173","2","","","","","","","Grotjahn Lab","6","P 1 21/n 1","-P 2yn","14","Ir-metallacycle complex","","","- C31 H56 Cl Ir O P2 -","- C31 H48 Cl Ir O P2 -","- C124 H192 Cl4 Ir4 O4 P8 -","4","1","","Douglas B. Grotjahn; Justin M. Hoerter; John L. Hubbard","Double C-H Activation during Functionalization of Phenyl(methyl)ketene on Iridium(I) Using Alkynes. Synthesis of 1,4-Dien-3-ones","Journal of the American Chemical Society","2004","126","","8866","8867","10.1021/ja048489+","","","0.71073","MoKα","","0.0736","0.0417","","0.219","","0.0975","","","1.076","","","1.049","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112784","9.3478","0.0002","15.9535","0.0003","24.4659","0.0004","90","","92.41","0.001","90","","3645.38","0.12","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- Cl H64 K5 Mo12 O57 P2 S12 -","- Cl K5 Mo12 O54 P2 S12 -","- Cl2 K10 Mo24 O108 P4 S24 -","2","0.5","","Emmanuel Cadot; Marie-José Pouet; Chantal Robert-Labarre; Charlotte du Peloux; Jérôme Marrot; Francis Sécheresse","Polyphosphate Ions Encapsulated in Oxothiomolybdate Rings: Synthesis, Structure, and Behavior in Solution","Journal of the American Chemical Society","2004","126","","9127","9134","10.1021/ja048746a","","","0.71073","MoKα","","0.0958","0.0503","","","0.1082","0.127","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112785","11.1863","0.0002","26.3305","0.0003","29.6214","0.0002","90","","90","","90","","8724.71","0.19","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- H63 K6 Mo12 O60 P3 S12 -","- K6 Mo12 O60 P3 S12 -","- K24 Mo48 O240 P12 S48 -","4","0.5","","Emmanuel Cadot; Marie-José Pouet; Chantal Robert-Labarre; Charlotte du Peloux; Jérôme Marrot; Francis Sécheresse","Polyphosphate Ions Encapsulated in Oxothiomolybdate Rings: Synthesis, Structure, and Behavior in Solution","Journal of the American Chemical Society","2004","126","","9127","9134","10.1021/ja048746a","","","0.71073","MoKα","","0.0562","0.0465","","","0.1269","0.1355","","","","","","1.078","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112786","23.2344","0.0002","23.2344","0.0002","20.7222","0.0003","90","","90","","120","","9687.89","0.18","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- H47 Mo10 O47.5 P3 Rb3 S10 -","- Mo10 O45.38 P3 Rb3.00333 S10 -","- Mo60 O272.28 P18 Rb18.02 S60 -","6","0.5","","Emmanuel Cadot; Marie-José Pouet; Chantal Robert-Labarre; Charlotte du Peloux; Jérôme Marrot; Francis Sécheresse","Polyphosphate Ions Encapsulated in Oxothiomolybdate Rings: Synthesis, Structure, and Behavior in Solution","Journal of the American Chemical Society","2004","126","","9127","9134","10.1021/ja048746a","","","0.71073","MoKα","","0.058","0.039","","","0.1092","0.1263","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112787","11.371","0.001","19.975","0.002","19.02","0.002","90","","94.196","0.002","90","","4308.5","0.7","100","1","100","1","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H69 N2 O Sc Si2 -","- C43 H69 N2 O Sc Si2 -","- C172 H276 N8 O4 Sc4 Si8 -","4","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.0953","0.0501","","","0.1042","0.1211","","","","","","1.025","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112788","10.8089","0.0004","11.8553","0.0005","21.0218","0.0008","80.687","0.001","86.364","0.001","69.376","0.001","2487.86","0.17","110","","110","2","","","","","","","see text","6","P -1","-P 1","2","","","","- C47 H77 N2 Nd O2 Si2 -","- C47 H77 N2 Nd O2 Si2 -","- C94 H154 N4 Nd2 O4 Si4 -","2","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.0253","0.0232","","","0.0562","0.0571","","","","","","1.056","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112789","12.8558","0.0005","13.208","0.0006","21.6302","0.0009","93.949","0.001","97.099","0.001","112.746","0.001","3333.8","0.2","100","1","100","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C74 H100 B N2 O3 Sc Si -","- C74 H100 B N2 O3 Sc Si -","- C148 H200 B2 N4 O6 Sc2 Si2 -","2","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.0605","0.0522","","","0.1428","0.1483","","","","","","1.055","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112790","13.3902","0.0006","22.711","0.001","25.732","0.001","75.174","0.001","85.179","0.001","74.6","0.001","7292","0.5","100","1","100","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C159 H218 B2 N4 O6.5 Si2 Y2 -","- C154 H208 B2 N4 O6 Si2 Y2 -","- C308 H416 B4 N8 O12 Si4 Y4 -","2","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.1791","0.0807","","","0.1702","0.199","","","","","","0.902","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112791","51.22","0.003","14.0298","0.0009","24.128","0.002","90","","117.101","0.001","90","","15434.8","1.9","100","1","100","1","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H120 B La N2 O5.5 Si -","- C84 H120 B La N2 O5.5 Si -","- C672 H960 B8 La8 N16 O44 Si8 -","8","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.1068","0.0491","","","0.1","0.1178","","","","","","0.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112792","51.138","0.002","14.0381","0.0006","24.194","0.001","90","","117.373","0.001","90","","15423.7","1.1","100","1","100","1","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H120 B N2 Nd O Si -","- C84 H120 B N2 Nd O5.5 Si -","- C672 H960 B8 N16 Nd8 O44 Si8 -","8","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.0576","0.0414","","","0.1002","0.1075","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112793","21.267","0.002","11.7644","0.0009","27.388","0.002","90","","92.317","0.001","90","","6846.7","1","100","1","100","1","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H102 B Gd N2 O4 Si -","- C75 H102 B Gd N2 O4 Si -","- C300 H408 B4 Gd4 N8 O16 Si4 -","4","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.1317","0.0556","","","0.11","0.1346","","","","","","0.982","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112794","13.044","0.002","15.333","0.002","20.86","0.003","79.487","0.004","83.767","0.003","74.999","0.003","3954","1","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H59 Cl6 F6 Mn4 N12 O24 S2 -","- C57 H59 Cl6 F6 Mn4 N12 O24 S2 -","- C114 H118 Cl12 F12 Mn8 N24 O48 S4 -","2","1","","Sumitra Mukhopadhyay; Henry J. Mok; Richard J. Staples; William H. Armstrong","Shape-Shifting Tetranuclear Oxo-Bridged Manganese Cluster: Relevance to Photosystem II Water Oxidase Active Site","Journal of the American Chemical Society","2004","126","","9202","9204","10.1021/ja0475508","","","0.71073","MoKα","","0.1895","0.0993","","","0.2243","0.2685","","","","","","0.996","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112795","12.4977","0.0007","12.4868","0.0005","19.579","0.001","90","","102.338","0.001","90","","2984.9","0.3","150.2","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H20 B Br2 F12 Fe2 -","- C30 H20 B0.5 Br2 F12 Fe2 -","- C120 H80 B2 Br8 F48 Fe8 -","4","1","","Masato Takano; Masaaki Okazaki; Hiromi Tobita","Stepwise Bromination of Two Acetylene Molecules on a Butterfly-Type Tetrairon Core and Reactivity of the Resulting Bromoacetylene Fragment toward Nucleophiles","Journal of the American Chemical Society","2004","126","","9190","9191","10.1021/ja047569a","","","0.7107","MoKα","","","0.0581","","","","0.1663","","","","","","1.609","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112796","10.1333","0.0003","13.052","0.0003","16.0867","0.0006","97.6408","0.0008","95.5324","0.0008","94.054","0.001","2091.38","0.11","150.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H54 B Fe4 -","- C53 H54 B Fe4 -","- C106 H108 B2 Fe8 -","2","1","","Masato Takano; Masaaki Okazaki; Hiromi Tobita","Stepwise Bromination of Two Acetylene Molecules on a Butterfly-Type Tetrairon Core and Reactivity of the Resulting Bromoacetylene Fragment toward Nucleophiles","Journal of the American Chemical Society","2004","126","","9190","9191","10.1021/ja047569a","","","0.7107","MoKα","","","0.0751","","","","0.2978","","","","","","1.147","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112797","12.1054","0.0006","14.1386","0.0007","21.071","0.0011","90","","92.868","0.003","90","","3601.9","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","cluster[7](PF6)2","","","- C34 H37.5 F12 Fe4 N1.5 P2 -","- C34 H34.5 F12 Fe4 N1.5 P2 -","- C136 H138 F48 Fe16 N6 P8 -","4","2","","Masato Takano; Masaaki Okazaki; Hiromi Tobita","Stepwise Bromination of Two Acetylene Molecules on a Butterfly-Type Tetrairon Core and Reactivity of the Resulting Bromoacetylene Fragment toward Nucleophiles","Journal of the American Chemical Society","2004","126","","9190","9191","10.1021/ja047569a","","","0.71069","MoKα","","0.0763","0.0634","","","0.1605","0.173","","","","","","1.135","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112798","10.9644","0.0011","11.2922","0.0011","17.6367","0.0018","96.933","0.005","101.342","0.005","113.218","0.005","1919.4","0.3","190","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H76 Cl4 N12 O24 Zn4 -","- C70 H76 Cl4 N12 O24 Zn4 -","- C70 H76 Cl4 N12 O24 Zn4 -","1","0.5","","Giannis S. Papaefstathiou; Zhenming Zhong; Lei Geng; Leonard R. MacGillivray","Coordination-Driven Self-Assembly Directs a Single-Crystal-to-Single-Crystal Transformation that Exhibits Photocontrolled Fluorescence","Journal of the American Chemical Society","2004","126","","9158","9159","10.1021/ja047819n","","","0.71069","MoKα","","","0.0443","","","","0.1149","","","","","","1.021","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112799","10.7509","0.0011","10.9233","0.0011","18.558","0.002","97.531","0.005","101.758","0.005","110.933","0.005","1942.7","0.4","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H76 Cl4 N12 O24 Zn4 -","- C70 H76 Cl4 N12 O24 Zn4 -","- C70 H76 Cl4 N12 O24 Zn4 -","1","0.5","","Giannis S. Papaefstathiou; Zhenming Zhong; Lei Geng; Leonard R. MacGillivray","Coordination-Driven Self-Assembly Directs a Single-Crystal-to-Single-Crystal Transformation that Exhibits Photocontrolled Fluorescence","Journal of the American Chemical Society","2004","126","","9158","9159","10.1021/ja047819n","","","0.71069","MoKα","","","0.0459","","","","0.1592","","","","","","1.041","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112800","16.419","0.0007","8.6648","0.0003","16.2655","0.0007","90","","100.458","0.004","90","","2275.61","0.16","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 Co O4 -","- C24 H35 Co O4 -","- C96 H140 Co4 O16 -","4","1","","Trevor L. Dzwiniel; Jeffrey M. Stryker","Cobalt-Mediated Two-Carbon Ring Expansion of Five-Membered Rings. Electrophilic Carbon-Carbon Bond Activation in the Synthesis of Seven-Membered Rings","Journal of the American Chemical Society","2004","126","","9184","9185","10.1021/ja047852+","","","1.54178","CuKα","","0.0596","0.0467","","","0.1089","0.1152","","","","","","1.042","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112801","10.0706","0.0015","11.0942","0.0019","13.396","0.002","92.638","0.013","96.004","0.012","95.3","0.013","1479.8","0.4","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H39 B Cl3 Co F4 Si2 -","- C23 H39 B Cl3 Co F4 Si2 -","- C46 H78 B2 Cl6 Co2 F8 Si4 -","2","1","","Trevor L. Dzwiniel; Jeffrey M. Stryker","Cobalt-Mediated Two-Carbon Ring Expansion of Five-Membered Rings. Electrophilic Carbon-Carbon Bond Activation in the Synthesis of Seven-Membered Rings","Journal of the American Chemical Society","2004","126","","9184","9185","10.1021/ja047852+","","","0.71073","MoKα","","0.1392","0.0695","","","0.1071","0.1296","","","","","","1.016","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112802","5.2013","0.0005","16.6336","0.0015","20.8923","0.0018","90","","90","","90","","1807.5","0.3","160","2","160","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","1","","Andrew P. Bassett; Steven W. Magennis; Peter B. Glover; David J. Lewis; Neil Spencer; Simon Parsons; René M. Williams; Luisa De Cola; Zoe Pikramenou","Highly Luminescent, Triple- and Quadruple-Stranded, Dinuclear Eu, Nd, and Sm(III) Lanthanide Complexes Based on Bis-Diketonate Ligands","Journal of the American Chemical Society","2004","126","","9413","9424","10.1021/ja048022z","","","0.6875","","","0.1018","0.0793","","","0.2061","0.2499","","","","","","1.102","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112803","11.042","0.002","11.956","0.002","13.723","0.003","92.36","0.03","105.63","0.03","101.76","0.03","1699.2","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H35 Eu F6 N8 O13 S2 -","- C23 H33 Eu F6 N8 O13 S2 -","- C46 H66 Eu2 F12 N16 O26 S4 -","2","1","","Mark Woods; Garry E. Kiefer; Simon Bott; Aminta Castillo-Muzquiz; Carrie Eshelbrenner; Lydie Michaudet; Kenneth McMillan; Siva D. K. Mudigunda; Doug Ogrin; Gyula Tircsó; Shanrong Zhang; Piyu Zhao; A. Dean Sherry","Synthesis, Relaxometric and Photophysical Properties of a New pH-Responsive MRI Contrast Agent: The Effect of Other Ligating Groups on Dissociation of a p-Nitrophenolic Pendant Arm","Journal of the American Chemical Society","2004","126","","9248","9256","10.1021/ja048299z","","","0.71073","MoKα","","0.0828","0.0822","","0.2168","0.2141","","","","1.014","1.027","1.027","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112804","10.557","0.002","13.439","0.002","9.79","0.001","98.883","0.01","100.65","0.01","99.14","0.01","1323.3","0.4","296.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","2","","Kana M. Sureshan; Tomohiro Murakami; Tomomi Miyasou; Yutaka Watanabe","Topochemical Transketalization Reaction Driven by Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","9174","9175","10.1021/ja0483847","","","1.5418","CuKa","","","0.0427","","","","0.127","","","","","","1.627","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112805","38.6193","0.001","15.8553","0.0004","11.3176","0.0004","90","","90","","90","","6930","0.4","153","2","153","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C309 H354 Ir4 N12 O27 -","- C309 H354 Ir4 N12 O27 -","- C309 H354 Ir4 N12 O27 -","1","0.25","","Christine Schaffner-Hamann; Alexander von Zelewsky; Andrea Barbieri; Francesco Barigelletti; Gilles Muller; James P. Riehl; Antonia Neels","Diastereoselective Formation of Chiral Tris-Cyclometalated Iridium (III) Complexes: Characterization and Photophysical Properties","Journal of the American Chemical Society","2004","126","","9339","9348","10.1021/ja048655d","","","0.71073","MoKα","","0.0482","0.0449","","","0.1202","0.1229","","","","","","1.042","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112806","12.3304","0.0017","12.3304","0.0017","9.9206","0.0016","90","","90","","120","","1306.2","0.3","123","2","123","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","clathrate hydrate of adamantane and methane","","- C14.5 H102 O34 -","- C15.916 H100.424 O34 -","- C15.916 H100.424 O34 -","1","0.0416667","","Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman","Gas Hydrate Single-Crystal Structure Analyses","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","0.71073","MoKα","","0.0641","0.0438","","","0.0949","0.1121","","","","","","1.11","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112807","17.175","0.003","17.175","0.003","17.175","0.003","90","","90","","90","","5066.3","1.5","123","2","123","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","Propane hydrate","clathrate hydrate of propane","","- C24 H336 O136 -","- C25.6 H320 O136 -","- C25.6 H320 O136 -","1","0.00520833","","Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman","Gas Hydrate Single-Crystal Structure Analyses","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","0.71073","MoKα","","0.0575","0.0465","","","0.0935","0.0985","","","","","","1.159","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112808","17.1925","0.001","17.1925","0.001","17.1925","0.001","90","","90","","90","","5081.8","0.5","163","2","163","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","clathrate hydrate of propane, methane and ethanole","","- C38.9 H395.6 O136 -","- C55.6 H336 O136 -","- C55.6 H336 O136 -","1","0.00520833","","Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman","Gas Hydrate Single-Crystal Structure Analyses","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","0.71073","MoKα","","0.0394","0.0362","","","0.0889","0.0931","","","","","","1.074","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112809","11.877","0.003","11.877","0.003","11.877","0.003","90","","90","","90","","1675.4","0.7","123","2","123","2","","","","","","","Synthetic","3","P m -3 n","-P 4n 2 3","223","Methane hydrate","clathrate hydrate of methane","Methane-hydrate","- C8 H124 O46 -","- C8 H123.92 O46 -","- C8 H123.92 O46 -","1","0.0208333","","Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman","Gas Hydrate Single-Crystal Structure Analyses","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","0.71073","MoKα","","0.0682","0.0379","","","0.0759","0.0887","","","","","","1.094","","","","has coordinates,has disorder","282068","2023-03-26","10:12:40",""
"4112810","11.895","0.003","11.895","0.003","11.895","0.003","90","","90","","90","","1683","0.7","143","2","143","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Ethine hydrate","clathrate hydrate of ethine","","- C14.2 H60.2 O46 -","- C16.056 H92 O46 -","- C16.056 H92 O46 -","1","0.0208333","","Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman","Gas Hydrate Single-Crystal Structure Analyses","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","0.71073","MoKα","","0.0984","0.0388","","","0.0886","0.1418","","","","","","1.269","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112811","35.02","0.002","16.6352","0.0006","19.7332","0.0012","90","","119.852","0.004","90","","9970.5","1","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H60 Cl10 Cu4 N8 O -","- C32 H60 Cl10 Cu4 N8 O -","- C256 H480 Cl80 Cu32 N64 O8 -","8","1","","Hongjian Sun; Klaus Harms; Joerg Sundermeyer","Aerobic Oxidation of 2,3,6-Trimethylphenol to Trimethyl-1,4-benzoquinone with Copper(II) Chloride as Catalyst in Ionic Liquid and Structure of the Active Species","Journal of the American Chemical Society","2004","126","","9550","9551","10.1021/ja0391964","","","0.71073","MoKα","","0.0862","0.0695","","","0.1317","0.1359","","","","","","1.245","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112812","21.702","0.001","11.47","0.001","18.301","0.0009","90","","94.783","0.005","90","","4539.7","0.5","150","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tetrakis[di-tert-butyl(methyl)silyl] disilene","","- C36 H84 Si6 -","- C36 H84 Si6 -","- C144 H336 Si24 -","4","1","","Akira Sekiguchi; Shigeyoshi Inoue; Masaaki Ichinohe; Yoriko Arai","Isolable Anion Radical of Blue Disilene (tBu2MeSi)2SiSi(SiMetBu2)2 Formed upon One-Electron Reduction: Synthesis and Characterization","Journal of the American Chemical Society","2004","126","","9626","9629","10.1021/ja040079y","","","0.7107","MoKα","","0.1673","0.0877","","","0.2077","0.256","","","","","","1.02","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112813","12.072","0.0003","21.567","0.001","24.25","0.0011","90","","90","","90","","6313.7","0.4","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetrakis(tetrahydrofuran)lithium(I) 1,1,4,4-tetra-tert-butyl -2,3-Tetrakis[di-tert-butyl(methyl)silyl]-1,4-dimethyltetrasilane-2-yl-3-ide","","- C52 H116 Li O4 Si6 -","- C52 H116 Li O4 Si6 -","- C208 H464 Li4 O16 Si24 -","4","1","","Akira Sekiguchi; Shigeyoshi Inoue; Masaaki Ichinohe; Yoriko Arai","Isolable Anion Radical of Blue Disilene (tBu2MeSi)2SiSi(SiMetBu2)2 Formed upon One-Electron Reduction: Synthesis and Characterization","Journal of the American Chemical Society","2004","126","","9626","9629","10.1021/ja040079y","","","0.7107","MoKα","","0.0671","0.0526","","","0.1388","0.1514","","","","","","1.027","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112814","10.5289","0.0006","9.9479","0.0006","22.5331","0.0014","90","","94.838","0.001","90","","2351.7","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 F10 N2 O2 W2 -","- C46 H56 F10 N2 O2 W2 -","- C92 H112 F20 N4 O4 W4 -","2","0.5","","Lourdes Pia H. Lopez; Richard R. Schrock","Formation of Dimers That Contain Unbridged W(IV)/W(IV) Double Bonds","Journal of the American Chemical Society","2004","126","","9526","9527","10.1021/ja0400988","","","0.71073","MoKα","","0.0335","0.0295","","","0.0762","0.0779","","","","","","1.039","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112815","15.499","0.003","19.415","0.004","33.223","0.007","85.07","0.03","83.43","0.03","73.24","0.03","9495","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C119 H44 O9 P4 Rh6 -","- C119 H44 O9 P4 Rh6 -","- C476 H176 O36 P16 Rh24 -","4","2","","Kwangyeol Lee; Yoon Jeong Choi; Youn-Jaung Cho; Chang Yeon Lee; Hyunjoon Song; Chang Hoon Lee; Yoon Sup Lee; Joon T. Park","Strong Interfullerene Electronic Communication in a Bisfullerene-Hexarhodium Sandwich Complex","Journal of the American Chemical Society","2004","126","","9837","9844","10.1021/ja047290u","","","0.71073","MoKα","","0.2764","0.1036","","","0.2154","0.2965","","","","","","0.941","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112816","14.6778","0.0003","20.0354","0.0004","20.3356","0.0004","95.625","0.001","96.939","0.001","111.31","0.001","5465","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C133 H58 N2 O7 P4 Rh6 -","- C133 H58 N2 O7 P4 Rh6 -","- C266 H116 N4 O14 P8 Rh12 -","2","1","","Kwangyeol Lee; Yoon Jeong Choi; Youn-Jaung Cho; Chang Yeon Lee; Hyunjoon Song; Chang Hoon Lee; Yoon Sup Lee; Joon T. Park","Strong Interfullerene Electronic Communication in a Bisfullerene-Hexarhodium Sandwich Complex","Journal of the American Chemical Society","2004","126","","9837","9844","10.1021/ja047290u","","","0.71073","MoKα","","0.1643","0.1022","","","0.2858","0.3354","","","","","","1.045","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112817","17.59","0.03","23.98","0.05","31.9","0.06","90","","96.75","0.04","90","","13362","4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C191 H55 Cl2 N O7 P4 Rh6 S4 -","- C191 H55 Cl2 N O7 P4 Rh6 S4 -","- C764 H220 Cl8 N4 O28 P16 Rh24 S16 -","4","1","","Kwangyeol Lee; Yoon Jeong Choi; Youn-Jaung Cho; Chang Yeon Lee; Hyunjoon Song; Chang Hoon Lee; Yoon Sup Lee; Joon T. Park","Strong Interfullerene Electronic Communication in a Bisfullerene-Hexarhodium Sandwich Complex","Journal of the American Chemical Society","2004","126","","9837","9844","10.1021/ja047290u","","","0.71073","MoKα","","0.1741","0.0957","","","0.2768","0.3187","","","","","","0.989","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112818","14.6527","0.0007","41.0065","0.0019","7.483","0.0003","90","","90.008","0.001","90","","4496.2","0.3","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 O Si -","- C25 H34 O Si -","- C200 H272 O8 Si8 -","8","2","","Timothy B. Clark; K. A. Woerpel","Formation and Utility of Oxasilacyclopentenes Derived from Functionalized Alkynes","Journal of the American Chemical Society","2004","126","","9522","9523","10.1021/ja047498f","","","0.71073","MoKα","","0.1304","0.0713","","","0.1695","0.2072","","","","","","1.029","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112819","9.034","0.002","14.237","0.004","16.346","0.004","73.068","0.004","89.726","0.005","73.451","0.004","1920.9","0.8","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H59 N O4 Si2 -","- C40 H59 N O4 Si2 -","- C80 H118 N2 O8 Si4 -","2","1","","Timothy B. Clark; K. A. Woerpel","Formation and Utility of Oxasilacyclopentenes Derived from Functionalized Alkynes","Journal of the American Chemical Society","2004","126","","9522","9523","10.1021/ja047498f","","","0.71073","MoKα","","0.0749","0.0487","","","0.1175","0.1324","","","","","","1.039","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4112820","12.3496","0.0006","26.2644","0.0015","16.0109","0.0007","90","","104.051","0.004","90","","5037.8","0.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C59 H78 Al N3 -","- C59 H78 Al N3 -","- C236 H312 Al4 N12 -","4","1","","Hongping Zhu; Jianfang Chai; Vadapalli Chandrasekhar; Herbert W. Roesky; Jörg Magull; Denis Vidovic; Hans-Georg Schmidt; Mathias Noltemeyer; Philip P. Power; William A. Merrill","Two Types of Intramolecular Addition of an Al-N Multiple-Bonded Monomer LAlNAr' Arising from the Reaction of LAl with N3Ar' (L = HC[(CMe)(NAr)]2, Ar' = 2,6-Ar2C6H3, Ar = 2,6-iPr2C6H3)","Journal of the American Chemical Society","2004","126","","9472","9473","10.1021/ja0475712","","","0.71073","MoKα","","0.1059","0.0633","","","0.136","0.1551","","","","","","1.011","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112821","11.806","0.008","12.766","0.005","19.718","0.008","76.04","0.03","74.54","0.04","64.63","0.04","2560","2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H78 Al N3 -","- C59 H78 Al N3 -","- C118 H156 Al2 N6 -","2","1","","Hongping Zhu; Jianfang Chai; Vadapalli Chandrasekhar; Herbert W. Roesky; Jörg Magull; Denis Vidovic; Hans-Georg Schmidt; Mathias Noltemeyer; Philip P. Power; William A. Merrill","Two Types of Intramolecular Addition of an Al-N Multiple-Bonded Monomer LAlNAr' Arising from the Reaction of LAl with N3Ar' (L = HC[(CMe)(NAr)]2, Ar' = 2,6-Ar2C6H3, Ar = 2,6-iPr2C6H3)","Journal of the American Chemical Society","2004","126","","9472","9473","10.1021/ja0475712","","","0.71073","MoKα","","0.0751","0.0595","","","0.1415","0.1496","","","","","","1.039","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112822","6.1543","0.0007","10.914","0.001","14.747","0.002","90","","100.599","0.002","90","","973.63","0.19","143.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H35 O5 -","- C21 H30 O5 -","- C42 H60 O10 -","2","1","","Guangxin Liang; Dirk Trauner","Enantioselective Nazarov Reactions through Catalytic Asymmetric Proton Transfer","Journal of the American Chemical Society","2004","126","","9544","9545","10.1021/ja0476664","","","0.7107","MoKα","","","0.0496","","","","0.0602","","","","","","2.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112823","4.709","0.002","7.55","0.003","18.96","0.01","90","","95.98","0.03","90","","670.4","0.5","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N5 O6 -","- C11 H15 N5 O6 -","- C22 H30 N10 O12 -","2","1","","Caroline Crey-Desbiolles; Jean Lhomme; Pascal Dumy; Mitsuharu Kotera","3-Nitro-3-deaza-2'-deoxyadenosine as a Versatile Photocleavable 2'-Deoxyadenosine Mimic","Journal of the American Chemical Society","2004","126","","9532","9533","10.1021/ja047976m","","","0.71073","MoKα","","0.0677","0.0677","","0.0338","","0.0338","","","1.965","","","1.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112824","8.786","0.0003","12.028","0.0004","11.204","0.0004","90","","92.372","0.002","90","","1183","0.07","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 O S2 -","- C10 H18 O S2 -","- C40 H72 O4 S8 -","4","1","","Kentaro Okuma; Toshiyuki Shigetomi; Yoshinori Nibu; Kosei Shioji; Masato Yoshida; Yoshinobu Yokomori","Synthesis of Isolable Thiirane-2-thione (α-Dithiolactone) from Thioketene S-Oxide","Journal of the American Chemical Society","2004","126","","9508","9509","10.1021/ja0480320","","","1.54184","CuKα","","0.0683","0.0642","","","0.1981","0.2069","","","","","","1.068","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4112825","14.6338","0.0009","12.7462","0.0008","31.6081","0.0019","90","","98.775","0.001","90","","5826.7","0.6","193","2","193","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C53 H50 Ag Au3 B2 Cl2 F8 N3 O3 P3 -","- C53 H42 Ag Au3 B2 Cl2 F8 N3 O3 P3 -","- C212 H168 Ag4 Au12 B8 Cl8 F32 N12 O12 P12 -","4","1","","Quan-Ming Wang; Young-A. Lee; Olga Crespo; Joseph Deaton; Ching Tang; Henry J. Gysling; M. Concepción Gimeno; Carmen Larraz; M. Dolores Villacampa; Antonio Laguna; Richard Eisenberg","Intensely Luminescent Gold(I)-Silver(I) Cluster Complexes with Tunable Structural Features","Journal of the American Chemical Society","2004","126","","9488","9489","10.1021/ja048091d","","","0.71073","MoKα","","0.0501","0.035","","","0.0853","0.0896","","","","","","1.058","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112826","13.5222","0.0006","22.7307","0.0011","18.1594","0.0009","90","","105.379","0.001","90","","5381.8","0.4","193","2","293","2","","","","","","","","10","P 1 2/c 1","-P 2yc","13","","","","- C51 H44 Ag Au3 B2 F8 N3 O P3 S -","- C51 H42 Ag Au3 B2 F8 N3 O2 P3 S -","- C204 H168 Ag4 Au12 B8 F32 N12 O8 P12 S4 -","4","1","","Quan-Ming Wang; Young-A. Lee; Olga Crespo; Joseph Deaton; Ching Tang; Henry J. Gysling; M. Concepción Gimeno; Carmen Larraz; M. Dolores Villacampa; Antonio Laguna; Richard Eisenberg","Intensely Luminescent Gold(I)-Silver(I) Cluster Complexes with Tunable Structural Features","Journal of the American Chemical Society","2004","126","","9488","9489","10.1021/ja048091d","","","0.71073","MoKα","","0.0494","0.0356","","","0.0897","0.0946","","","","","","1.036","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112827","13.6315","0.0011","22.7608","0.0019","18.331","0.0015","90","","105.227","0.002","90","","5487.8","0.8","193","2","193","2","","","","","","","","10","P 1 2/c 1","-P 2yc","13","","","","- C52 H47 Ag Au3 B2 F8 N3 O1.5 P3 Se -","- C52 H42 Ag Au3 B2 F8 N3 O1.5 P3 Se -","- C208 H168 Ag4 Au12 B8 F32 N12 O6 P12 Se4 -","4","1","","Quan-Ming Wang; Young-A. Lee; Olga Crespo; Joseph Deaton; Ching Tang; Henry J. Gysling; M. Concepción Gimeno; Carmen Larraz; M. Dolores Villacampa; Antonio Laguna; Richard Eisenberg","Intensely Luminescent Gold(I)-Silver(I) Cluster Complexes with Tunable Structural Features","Journal of the American Chemical Society","2004","126","","9488","9489","10.1021/ja048091d","","","0.71073","MoKα","","0.0448","0.0336","","","0.0887","0.0932","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112828","14.0698","0.0008","14.7704","0.0008","16.5322","0.0009","104.879","0.001","97.911","0.001","115.288","0.001","2879.5","0.3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C56 H51 Ag Au3 B2 F8 N4 P3 S -","- C56 H51 Ag Au3 B2 F8 N4 P3 S -","- C112 H102 Ag2 Au6 B4 F16 N8 P6 S2 -","2","1","","Quan-Ming Wang; Young-A. Lee; Olga Crespo; Joseph Deaton; Ching Tang; Henry J. Gysling; M. Concepción Gimeno; Carmen Larraz; M. Dolores Villacampa; Antonio Laguna; Richard Eisenberg","Intensely Luminescent Gold(I)-Silver(I) Cluster Complexes with Tunable Structural Features","Journal of the American Chemical Society","2004","126","","9488","9489","10.1021/ja048091d","","","0.71073","MoKα","","0.0335","0.0287","","","0.0696","0.0714","","","","","","1.011","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112829","8.4457","0.0017","8.5608","0.0017","10.075","0.002","90","","90","","90","","728.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N2 O4 -","- C6 H10 N2 O4 -","- C24 H40 N8 O16 -","4","1","","Greg Springsteen; Gerald F. Joyce","Selective Derivatization and Sequestration of Ribose from a Prebiotic Mix","Journal of the American Chemical Society","2004","126","","9578","9583","10.1021/ja0483692","","","0.71073","MoKα","","0.0284","0.0281","","","0.0728","0.0731","","","","","","1.062","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112830","9.778","0.002","14.647","0.004","7.0557","0.0006","90","","90","","90","","1010.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(pyridine-3-carbonyl)thiazolidin-2-thione","","- C9 H8 N2 O S2 -","- C9 H8 N2 O S2 -","- C36 H32 N8 O4 S8 -","4","1","","Shinji Yamada; Tomoko Misono; Seiji Tsuzuki","Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus","Journal of the American Chemical Society","2004","126","","9862","9872","10.1021/ja0490119","","","1.54178","CuKα","","0.0493","0.0447","","0.1348","0.1306","","","","0.803","0.8","0.8","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112831","8.132","0.003","7.399","0.002","14.431","0.003","90","","101.49","0.02","90","","850.9","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","1-Benzyl-3-(2-thioxothiazolidine-3-carbonyl)pyridinium bromide","","- C16 H15 Br N2 O S2 -","- C16 H15 Br N2 O S2 -","- C32 H30 Br2 N4 O2 S4 -","2","1","","Shinji Yamada; Tomoko Misono; Seiji Tsuzuki","Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus","Journal of the American Chemical Society","2004","126","","9862","9872","10.1021/ja0490119","","","1.54178","CuKα","","0.0239","0.0235","","0.0888","0.084","","","","1.476","1.45","1.45","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112832","12.5019","0.0009","24.5155","0.0012","5.6418","0.0005","90","","89.993","0.007","90","","1729.2","0.2","293","2","293","2","","","","","","","122.5-123.2","4","P 1 21 1","P 2yb","4","","3-(Pyridine-3-carbonyl)oxazolidin-2-one","","- C9 H8 N2 O3 -","- C9 H8 N2 O3 -","- C72 H64 N16 O24 -","8","4","","Shinji Yamada; Tomoko Misono; Seiji Tsuzuki","Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus","Journal of the American Chemical Society","2004","126","","9862","9872","10.1021/ja0490119","","","1.54178","CuKα","","0.0413","0.0314","","0.1041","0.0893","","","","1.113","1.144","1.144","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112833","13.312","0.003","9.675","0.003","14.273","0.003","90","","94.679","0.015","90","","1832.1","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-Benzyl-3-(2-oxo-oxazolidine-3-carbonyl)pyridinium bromide","","- C16 H15 Br N2 O3 -","- C16 H15 Br N2 O3 -","- C64 H60 Br4 N8 O12 -","4","1","","Shinji Yamada; Tomoko Misono; Seiji Tsuzuki","Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus","Journal of the American Chemical Society","2004","126","","9862","9872","10.1021/ja0490119","","","1.54178","CuKα","","0.0905","0.0787","","0.2483","0.2174","","","","1.366","1.365","1.365","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112834","12.156","0.002","18.891","0.003","17.584","0.003","90","","90","","90","","4038","1.2","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C17 H18 N5 Ni O7 -","- C17 H12 N5 Ni O7 -","- C136 H96 N40 Ni8 O56 -","8","0.5","","Ashleigh J. Fletcher; Edmund J. Cussen; Darren Bradshaw; Matthew J. Rosseinsky; K. Mark Thomas","Adsorption of Gases and Vapors on Nanoporous Ni2(4,4'-Bipyridine)3(NO3)4 Metal-Organic Framework Materials Templated with Methanol and Ethanol: Structural Effects in Adsorption Kinetics","Journal of the American Chemical Society","2004","126","","9750","9759","10.1021/ja0490267","","","1.5418","CuKα","","0.1728","0.0848","","0.2435","0.2028","","","","0.945","1.252","1.252","","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112835","11.883","0.001","19.049","0.001","17.415","0.001","90","","90","","90","","3942","0.5","375","2","375","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C15 H12 N5 Ni O6 -","- C15 H12 N5 Ni O6 -","- C120 H96 N40 Ni8 O48 -","8","0.5","","Ashleigh J. Fletcher; Edmund J. Cussen; Darren Bradshaw; Matthew J. Rosseinsky; K. Mark Thomas","Adsorption of Gases and Vapors on Nanoporous Ni2(4,4'-Bipyridine)3(NO3)4 Metal-Organic Framework Materials Templated with Methanol and Ethanol: Structural Effects in Adsorption Kinetics","Journal of the American Chemical Society","2004","126","","9750","9759","10.1021/ja0490267","","","0.71073","MoKα","","0.0819","0.0676","","0.221","0.2085","","","","1.105","1.211","1.211","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112836","11.2657","0.0018","20.517","0.004","34.413","0.007","90","","90","","90","","7954","3","193","2","193","1","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C30 H24 N10 Ni2 O12 -","- C30 H24 N10 Ni2 O12 -","- C240 H192 N80 Ni16 O96 -","8","0.25","","Ashleigh J. Fletcher; Edmund J. Cussen; Darren Bradshaw; Matthew J. Rosseinsky; K. Mark Thomas","Adsorption of Gases and Vapors on Nanoporous Ni2(4,4'-Bipyridine)3(NO3)4 Metal-Organic Framework Materials Templated with Methanol and Ethanol: Structural Effects in Adsorption Kinetics","Journal of the American Chemical Society","2004","126","","9750","9759","10.1021/ja0490267","","","0.71073","MoKα","","0.1359","0.0704","","","0.1972","0.2208","","","","","","0.9","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112837","12.3635","0.0015","23.491","0.003","23.867","0.003","90","","99.908","0.002","90","","6828.3","1.5","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","none","","","- C33 H42 Cl2 F36 Ir2 N6 O12 P6 -","- C33 H42 Cl2 F36 Ir2 N6 O12 P6 -","- C132 H168 Cl8 F144 Ir8 N24 O48 P24 -","4","1","","Thomas G. Gray; Adam S. Veige; Daniel G. Nocera","Cooperative Bimetallic Reactivity: Hydrogen Activation in Two-Electron Mixed-Valence Compounds","Journal of the American Chemical Society","2004","126","","9760","9768","10.1021/ja0491432","","","0.71073","MoKα","","0.1008","0.0919","","","0.2049","0.2091","","","","","","1.284","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112838","7.9721","0.0009","9.24","0.0011","11.3859","0.0013","109.621","0.002","94.117","0.002","101.647","0.002","764.84","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C32 H40 O6 S2 -","2","1","","Shengming Ma; Lianghua Lu; Junliang Zhang","Catalytic Regioselectivity Control in Ring-Opening Cycloisomerization of Methylene- or Alkylidenecyclopropyl Ketones","Journal of the American Chemical Society","2004","126","","9645","9660","10.1021/ja0494860","","","0.71073","MoKα","","0.0944","0.051","","","0.1042","0.1208","","","","","","0.908","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112839","17.931","0.004","8.4053","0.0016","10.938","0.002","90","","94.494","0.003","90","","1643.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O4 S -","- C16 H21.7 O4 S -","- C64 H86.8 O16 S4 -","4","1","","Shengming Ma; Lianghua Lu; Junliang Zhang","Catalytic Regioselectivity Control in Ring-Opening Cycloisomerization of Methylene- or Alkylidenecyclopropyl Ketones","Journal of the American Chemical Society","2004","126","","9645","9660","10.1021/ja0494860","","","0.71073","MoKα","","0.1009","0.0613","","","0.152","0.1734","","","","","","0.976","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112840","11.3404","0.0019","10.0567","0.0017","12.77","0.002","90","","115.267","0.003","90","","1317","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cl O3 S -","- C12 H11 Cl O3 S -","- C48 H44 Cl4 O12 S4 -","4","1","","Shengming Ma; Lianghua Lu; Junliang Zhang","Catalytic Regioselectivity Control in Ring-Opening Cycloisomerization of Methylene- or Alkylidenecyclopropyl Ketones","Journal of the American Chemical Society","2004","126","","9645","9660","10.1021/ja0494860","","","0.71073","MoKα","","0.126","0.0494","","","0.0755","0.0895","","","","","","0.722","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112841","7.6277","0.0007","9.1238","0.0009","9.5937","0.0009","82.377","0.002","68.451","0.002","75.268","0.002","600.01","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Cl O3 S -","- C12 H11 Cl O3 S -","- C24 H22 Cl2 O6 S2 -","2","1","","Shengming Ma; Lianghua Lu; Junliang Zhang","Catalytic Regioselectivity Control in Ring-Opening Cycloisomerization of Methylene- or Alkylidenecyclopropyl Ketones","Journal of the American Chemical Society","2004","126","","9645","9660","10.1021/ja0494860","","","0.71073","MoKα","","0.0454","0.0422","","","0.1114","0.114","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112842","13.5924","0.0011","24.6866","0.0019","12.543","0.0011","100.987","0.007","107.008","0.006","81.744","0.007","3933.6","0.6","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H103 N6 P4 Si8 Zr2 -","- C67 H103 N6 P4 Si8 Zr2 -","- C134 H206 N12 P8 Si16 Zr4 -","2","1","","Lara Morello; Jason B. Love; Brian O. Patrick; Michael D. Fryzuk","Carbon-Nitrogen Bond Formation via the Reaction of Terminal Alkynes with a Dinuclear Side-on Dinitrogen Complex","Journal of the American Chemical Society","2004","126","","9480","9481","10.1021/ja049490b","","","0.71069","MoKα","","0.1174","0.0351","","","0.0857","0.1017","","","","","","0.972","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112843","12.5329","0.0007","13.3989","0.0005","25.9965","0.0018","91.876","0.002","103.279","0.001","107.544","0.002","4026.6","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H107 N6 P4 Si8 Zr2 -","- C69 H106.008 N6 P4 Si8 Zr2 -","- C138 H212.016 N12 P8 Si16 Zr4 -","2","1","","Lara Morello; Jason B. Love; Brian O. Patrick; Michael D. Fryzuk","Carbon-Nitrogen Bond Formation via the Reaction of Terminal Alkynes with a Dinuclear Side-on Dinitrogen Complex","Journal of the American Chemical Society","2004","126","","9480","9481","10.1021/ja049490b","","","0.71069","MoKα","","0.0743","0.0552","","","0.128","0.1364","","","","","","1.116","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112844","27.261","0.001","12.783","0.0004","28.343","0.001","90","","108.92","0.002","90","","9343.3","0.6","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C86 H128 N6 P4 Si8 Zr2 -","- C86 H128 N6 P4 Si8 Zr2 -","- C344 H512 N24 P16 Si32 Zr8 -","4","1","","Lara Morello; Jason B. Love; Brian O. Patrick; Michael D. Fryzuk","Carbon-Nitrogen Bond Formation via the Reaction of Terminal Alkynes with a Dinuclear Side-on Dinitrogen Complex","Journal of the American Chemical Society","2004","126","","9480","9481","10.1021/ja049490b","","","0.71069","MoKα","","0.1087","0.0503","","","0.0888","0.1025","","","","","","0.877","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112845","32.965","0.003","8.034","","16.39","0.002","90","","90.701","0.003","90","","4340.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 O5 S2 -","- C23 H24 O5 S2 -","- C184 H192 O40 S16 -","8","1","","Sang Ick Lee; Ji Hoon Park; Young Keun Chung; Sueg-Geun Lee","Rhodium-Catalyzed Carbonylative [3+2+1] Cycloaddition Reaction: Catalytic Formation of Bicyclic Cyclohexenones from Trienes and Carbon Monoxide [J. Am. Chem. Soc. 2004, 126, 2714-2715].","Journal of the American Chemical Society","2004","126","","10190","10190","10.1021/ja040813d","","","0.71073","MoKα","","0.1493","0.1244","","","0.3467","0.3639","","","","","","1.139","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112846","15.547","0.001","15.547","0.001","5.9581","0.0007","90","","90","","90","","1440.1","0.2","100","2","100","2","","","","","","","","4","P -4","P -4","81","PDTDA","4-(2'-pyridine)-1,2,3,5-dithiadiazolyl","","- C6 H4 N3 S2 -","- C6 H4 N3 S2 -","- C48 H32 N24 S16 -","8","2","","Nigel G. R. Hearns; Kathryn E. Preuss; John F. Richardson; Sofi Bin-Salamon","Design and Synthesis of a 4-(2'-Pyridyl)-1,2,3,5-Dithiadiazolyl Cobalt Complex","Journal of the American Chemical Society","2004","126","","9942","9943","10.1021/ja046304t","","","0.71073","MoKα","","0.0283","0.0267","","","0.0611","0.0616","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112847","8.872","0.0002","16.58","0.003","15.119","0.003","90","","90","","90","","2224","0.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","[4-(2'-pyridyl)-1,2,3,5-DTA]Co(hfac)2","[4-(2'-pyridine)-1,2,3,5-dithiadiazolyl]Co(hexaflouroacetate)2","","- C16 H6 Co F12 N3 O4 S2 -","- C16 H6 Co F12 N3 O4 S2 -","- C64 H24 Co4 F48 N12 O16 S8 -","4","1","","Nigel G. R. Hearns; Kathryn E. Preuss; John F. Richardson; Sofi Bin-Salamon","Design and Synthesis of a 4-(2'-Pyridyl)-1,2,3,5-Dithiadiazolyl Cobalt Complex","Journal of the American Chemical Society","2004","126","","9942","9943","10.1021/ja046304t","","","0.71073","MoKα","","0.0916","0.0522","","","0.1078","0.1201","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112848","7.843","0.007","10.205","0.005","10.691","0.008","83.99","0.05","73.01","0.07","77.47","0.06","798.1","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C34 H38 N2 O12 -","2","1","","Claude Spino; Hadi Rezaei; Kristina Dupont-Gaudet; Francis Bélanger","Inter- and Intramolecular [4 + 1]-Cycloadditions Between Electron-Poor Dienes and Electron-Rich Carbenes","Journal of the American Chemical Society","2004","126","","9926","9927","10.1021/ja046344x","","","0.71073","MoKα","","0.1514","0.074","","","0.1835","0.2134","","","","","","1.043","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112849","14.136","0.002","7.047","0.003","15.439","0.003","90","","90.434","0.013","90","","1537.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Claude Spino; Hadi Rezaei; Kristina Dupont-Gaudet; Francis Bélanger","Inter- and Intramolecular [4 + 1]-Cycloadditions Between Electron-Poor Dienes and Electron-Rich Carbenes","Journal of the American Chemical Society","2004","126","","9926","9927","10.1021/ja046344x","","","1.54056","CuKa","","0.1388","0.0858","","","0.2172","0.2509","","","","","","0.961","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112850","7.6242","0.0009","9.059","0.0009","12.9909","0.0011","94.16","0.008","100.234","0.008","112.484","0.008","806.06","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N2 O6 -","- C17 H19 N O6 -","- C34 H38 N2 O12 -","2","1","","Claude Spino; Hadi Rezaei; Kristina Dupont-Gaudet; Francis Bélanger","Inter- and Intramolecular [4 + 1]-Cycloadditions Between Electron-Poor Dienes and Electron-Rich Carbenes","Journal of the American Chemical Society","2004","126","","9926","9927","10.1021/ja046344x","","","0.7093","MoKα","","0.0603","0.0459","","","0.1107","0.1127","","","","","","1.109","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112851","10.055","0.005","10.268","0.005","19.814","0.005","90","0.005","90","0.005","90","0.005","2045.7","1.5","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C27 H37 -","- C27 H37 -","- C108 H148 -","4","0.5","","Toshikazu Kitagawa; Kohei Ogawa; Koichi Komatsu","Spin-Localized Cyclopentadienyl Radical Annelated with Homoadamantene Frameworks: Isolation, X-ray Crystal Structure, and ESR Characterization","Journal of the American Chemical Society","2004","126","","9930","9931","10.1021/ja046617o","","","0.71069","MoKα","","0.0784","0.0408","","","0.0621","0.0665","","","","","","1.002","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112852","10.065","0.005","18.356","0.005","18.442","0.005","90","0.005","93.821","0.005","90","0.005","3400","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H61 K O3 -","- C39 H61 K O3 -","- C156 H244 K4 O12 -","4","1","","Toshikazu Kitagawa; Kohei Ogawa; Koichi Komatsu","Spin-Localized Cyclopentadienyl Radical Annelated with Homoadamantene Frameworks: Isolation, X-ray Crystal Structure, and ESR Characterization","Journal of the American Chemical Society","2004","126","","9930","9931","10.1021/ja046617o","","","0.71069","MoKα","","0.062","0.0447","","","0.1099","0.116","","","","","","1.005","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112853","6.503","0.005","15.317","0.005","20.9","0.005","97.944","0.005","93.392","0.005","95.261","0.005","2047.7","1.8","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C27 H38 -","- C27 H38 -","- C108 H152 -","4","2","","Toshikazu Kitagawa; Kohei Ogawa; Koichi Komatsu","Spin-Localized Cyclopentadienyl Radical Annelated with Homoadamantene Frameworks: Isolation, X-ray Crystal Structure, and ESR Characterization","Journal of the American Chemical Society","2004","126","","9930","9931","10.1021/ja046617o","","","0.71069","MoKα","","0.0943","0.0534","","","0.0896","0.1008","","","","","","0.892","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112854","28.3783","0.0008","20.7597","0.0005","31.9587","0.0009","90","","94.983","0.001","90","","18756.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H69 Ag4 Au2.5 F9 P5.5 -","- C90 H69 Ag4 Au2.5 F9 P5.5 -","- C720 H552 Ag32 Au20 F72 P44 -","8","1","","Qiao-Hua Wei; Li-Yi Zhang; Gang-Qiang Yin; Lin-Xi Shi; Zhong-Ning Chen","Luminescent Heteronuclear AuI5AgI8 Complexes of {1,2,3-C6(C6H4R-4)3}3- (R = H, CH3, But) by Cyclotrimerization of Arylacetylides","Journal of the American Chemical Society","2004","126","","9940","9941","10.1021/ja047302b","","","0.71073","MoKα","","0.124","0.0692","","","0.1609","0.2022","","","","","","1.236","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112855","28.733","0.003","11.8213","0.0011","19.6365","0.0018","90","","112.349","0.002","90","","6168.8","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","{Me3NN]Cu=CPh2","","","- C36 H39 Cu N2 -","- C36 H39 Cu N2 -","- C288 H312 Cu8 N16 -","8","1","","Xuliang Dai; Timothy H. Warren","Discrete Bridging and Terminal Copper Carbenes in Copper-Catalyzed Cyclopropanation","Journal of the American Chemical Society","2004","126","","10085","10094","10.1021/ja047935q","","","0.71073","MoKα","","0.0886","0.0544","","","0.1377","0.1494","","","","","","1.055","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112856","23.906","0.002","23.681","0.002","19.3596","0.0019","90","","112.538","0.002","90","","10122.8","1.6","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","{[Me2NN]Cu}2(m-CPh2)","","","- C55 H60 Cu2 N4 -","- C55 H60 Cu2 N4 -","- C440 H480 Cu16 N32 -","8","1","","Xuliang Dai; Timothy H. Warren","Discrete Bridging and Terminal Copper Carbenes in Copper-Catalyzed Cyclopropanation","Journal of the American Chemical Society","2004","126","","10085","10094","10.1021/ja047935q","","","0.71073","MoKα","","0.086","0.0479","","","0.1068","0.1166","","","","","","0.9","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112857","9.6803","0.0017","10.1882","0.0018","10.5467","0.0018","61.938","0.003","76.23","0.003","63.747","0.003","822.6","0.3","299","2","299","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H19 B P -","- C17 H19 B P -","- C34 H38 B2 P2 -","2","2","","Garrett Hoge","Stereoselective Cyclization and Pyramidal Inversion Strategies for P-Chirogenic Phospholane Synthesis","Journal of the American Chemical Society","2004","126","","9920","9921","10.1021/ja048079l","","","0.71073","MoKα","","0.1472","0.0761","","","0.1454","0.1765","","","","","","1.021","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112858","8.3031","0.0012","13.308","0.0019","16.049","0.002","90","","90","","90","","1773.4","0.4","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 P2 S2 -","- C16 H24 P2 S2 -","- C64 H96 P8 S8 -","4","1","","Garrett Hoge","Stereoselective Cyclization and Pyramidal Inversion Strategies for P-Chirogenic Phospholane Synthesis","Journal of the American Chemical Society","2004","126","","9920","9921","10.1021/ja048079l","","","0.71073","MoKα","","0.1024","0.0603","","","0.121","0.1384","","","","","","1.006","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112859","13.9715","0.001","27.4987","0.001","17.0704","0.001","90","","97.856","0.01","90","","6496.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H75 Cl2 N9 O17 -","- C65 H63 Cl2 N9 O15.08 -","- C260 H252 Cl8 N36 O60.32 -","4","1","","Victor Maurizot; Christel Dolain; Yoann Leydet; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Design of an Inversion Center between Two Helical Segments","Journal of the American Chemical Society","2004","126","","10049","10052","10.1021/ja0481981","","","1.54178","CuKα","","0.1895","0.1708","","","0.459","0.4759","","","","","","1.128","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112860","18.8887","0.0011","19.094","0.0012","19.6816","0.0015","90","","98.967","0.003","90","","7011.6","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69 H77 Cl6 N8 O11 -","- C69 H77 Cl6 N8 O11 -","- C276 H308 Cl24 N32 O44 -","4","1","","Victor Maurizot; Christel Dolain; Yoann Leydet; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Design of an Inversion Center between Two Helical Segments","Journal of the American Chemical Society","2004","126","","10049","10052","10.1021/ja0481981","","","0.71073","MoKα","","0.1362","0.0814","","","0.2157","0.2625","","","","","","1.03","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112861","16.746","0.002","16.746","0.002","15.221","0.003","90","","90","","120","","3696.5","1","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C38 H77 Li6 N6 O6 -","- C38 H77 Li6 N6 O6 -","- C114 H231 Li18 N18 O18 -","3","0.333333","","Carsten Strohmann; Timo Seibel; Daniel Schildbach","The Crystal Structures of a Chiral Aminoalkoxide Cluster and Its Adduct with Benzyllithium","Journal of the American Chemical Society","2004","126","","9876","9877","10.1021/ja048216e","","","0.71073","MoKα","","0.0856","0.0495","","","0.1337","0.1447","","","","","","1.045","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112862","11.341","0.002","16.401","0.003","13.311","0.003","90","","100.2","0.03","90","","2436.8","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H79 Li7 N6 O6 -","- C43 H79 Li7 N6 O6 -","- C86 H158 Li14 N12 O12 -","2","1","","Carsten Strohmann; Timo Seibel; Daniel Schildbach","The Crystal Structures of a Chiral Aminoalkoxide Cluster and Its Adduct with Benzyllithium","Journal of the American Chemical Society","2004","126","","9876","9877","10.1021/ja048216e","","","0.71073","MoKα","","0.0777","0.0445","","","0.0901","0.1013","","","","","","1.04","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112863","20.2117","0.0007","15.3609","0.0005","17.3442","0.0006","90","","111.502","0.001","90","","5010.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52.15 H54.3 N12 O17 -","- C52.17 H52.65 N12 O17 -","- C208.68 H210.6 N48 O68 -","4","1","","Anxin Wu; Pritam Mukhopadhyay; Arindam Chakraborty; James C. Fettinger; Lyle Isaacs","Molecular Clips Form Isostructural Dimeric Aggregates from Benzene to Water","Journal of the American Chemical Society","2004","126","","10035","10043","10.1021/ja0486972","","","0.71073","MoKα","","0.0948","0.0521","","","0.1426","0.1595","","","","","","1.096","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112864","15.1206","0.0006","16.0783","0.0007","24.5229","0.0011","72.5","0.001","79.253","0.001","66.396","0.001","5195.3","0.4","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H122 Cl8 Fe2 N8 O6 -","- C105 H122 Cl8 Fe2 N8 O6 -","- C210 H244 Cl16 Fe4 N16 O12 -","2","1","","Christopher J. Chang; Zhi-Heng Loh; Chunnian Shi; Fred C. Anson; Daniel G. Nocera","Targeted Proton Delivery in the Catalyzed Reduction of Oxygen to Water by Bimetallic Pacman Porphyrins","Journal of the American Chemical Society","2004","126","","10013","10020","10.1021/ja049115j","","","0.71073","MoKα","","0.1311","0.0858","","","0.2103","0.2496","","","","","","1.051","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112865","8.7648","0.0009","13.7145","0.0014","9.8113","0.001","90","","109.383","0.001","90","","1112.5","0.2","171","1","171","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H37 Mo P2 Si -","- C18 H37 Mo P2 Si -","- C36 H74 Mo2 P4 Si2 -","2","0.5","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.058","0.0481","","0.1302","0.1248","","","","1.059","1.117","1.117","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112866","8.6997","0.0006","17.233","0.0011","16.3335","0.0011","90","","102.332","0.001","90","","2392.2","0.3","144","1","144","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 Mo P2 Si -","- C20 H42 Mo P2 Si -","- C80 H168 Mo4 P8 Si4 -","4","1","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.0365","0.0316","","0.0906","0.0876","","","","1.153","1.188","1.188","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112867","8.615","0.003","17.087","0.005","16.187","0.006","90","","102.49","0.03","90","","2326.4","1.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 Mo P2 Si -","- C20 H42 Mo P2 Si -","- C80 H168 Mo4 P8 Si4 -","4","1","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","powder diffraction","","","","","","","","","","","","","1.44","","","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112868","14.1108","0.0002","12.2418","0.0003","14.0009","0.0001","90","","90","","90","","2418.54","0.07","143","1","143","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H37 Mo P2 Si -","- C22 H37 Mo P2 Si -","- C88 H148 Mo4 P8 Si4 -","4","0.5","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.041","0.0301","","0.0798","0.0759","","","","0.911","0.978","0.978","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112869","15.8943","0.0006","10.6417","0.0006","17.5824","0.0007","90","","95.083","0.003","90","","2962.2","0.2","114","1","114","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 Mo P2 Si2 -","- C28 H41 Mo P2 Si2 -","- C112 H164 Mo4 P8 Si8 -","4","1","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.1509","0.0721","","0.2114","0.1685","","","","0.992","1.09","1.09","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112870","9.0505","0.0005","14.5815","0.0008","21.9795","0.0012","90","","96.229","0.001","90","","2883.5","0.3","128","1","128","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C123 H48 Mo P2 Si2 -","- C23 H48 Mo P2 Si2 -","- C92 H192 Mo4 P8 Si8 -","4","1","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.0721","0.0425","","0.1117","0.1004","","","","0.964","1.051","1.051","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112871","9.6863","0.0004","19.9872","0.0009","14.0443","0.0003","90","","105.414","0.002","90","","2621.2","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 Fe O3 P -","- C31 H31 Fe O3 P -","- C124 H124 Fe4 O12 P4 -","4","1","","Bernhard Breit; Daniel Breuninger","Desymmetrizing Hydroformylation with the Aid of a Planar Chiral Catalyst-Directing Group","Journal of the American Chemical Society","2004","126","","10244","10245","10.1021/ja0467364","","","0.71073","MoKα","","0.0649","0.0394","","","0.0915","0.0993","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112872","15.6449","0.0015","16.4566","0.0016","14.5862","0.0014","90","","98.653","0.002","90","","3712.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 Pd -","- C42 H48 N4 Pd -","- C168 H192 N16 Pd4 -","4","1","","Michael M. Konnick; Ilia A. Guzei; Shannon S. Stahl","Characterization of Peroxo and Hydroperoxo Intermediates in the Aerobic Oxidation of N-Heterocyclic-Carbene-Coordinated Palladium(0)","Journal of the American Chemical Society","2004","126","","10212","10213","10.1021/ja046884u","","","0.71073","MoKα","","0.0518","0.0469","","","0.1092","0.111","","","","","","1.2","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112873","13.3902","0.0011","14.641","0.0012","22.6735","0.0018","90","","98.1911","0.0014","90","","4399.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H56 N4 O2 Pd -","- C42 H48 N4 O2 Pd -","- C168 H192 N16 O8 Pd4 -","4","1","","Michael M. Konnick; Ilia A. Guzei; Shannon S. Stahl","Characterization of Peroxo and Hydroperoxo Intermediates in the Aerobic Oxidation of N-Heterocyclic-Carbene-Coordinated Palladium(0)","Journal of the American Chemical Society","2004","126","","10212","10213","10.1021/ja046884u","","","0.71073","MoKα","","0.0327","0.0297","","","0.0816","0.0832","","","","","","1.093","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112874","13.0229","0.0013","9.9968","0.001","16.3609","0.0016","90","","106.128","0.0014","90","","2046.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 N4 O4 Pd -","- C46 H54 N4 O4 Pd -","- C92 H108 N8 O8 Pd2 -","2","0.5","","Michael M. Konnick; Ilia A. Guzei; Shannon S. Stahl","Characterization of Peroxo and Hydroperoxo Intermediates in the Aerobic Oxidation of N-Heterocyclic-Carbene-Coordinated Palladium(0)","Journal of the American Chemical Society","2004","126","","10212","10213","10.1021/ja046884u","","","0.71073","MoKα","","0.0343","0.0323","","","0.0851","0.0868","","","","","","1.016","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112875","10.5668","0.0003","11.8758","0.0004","12.7952","0.0004","67.749","0.001","65.788","0.001","67.489","0.001","1305.19","0.07","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H33 F3 N3 O3 P S -","- C24 H33 F3 N3 O3 P S -","- C48 H66 F6 N6 O6 P2 S2 -","2","1","","Emmanuelle Despagnet-Ayoub; Robert H. Grubbs","A Stable Four-Membered N-Heterocyclic Carbene","Journal of the American Chemical Society","2004","126","","10198","10199","10.1021/ja047892d","","","0.71073","MoKα","","0.0719","0.045","","","0.0829","0.085","","","","","","1.703","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4112876","8.9994","0.001","26.366","0.003","12.6593","0.0014","90","","94.24","0.002","90","","2995.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 N3 P -","- C31 H48 N3 P -","- C124 H192 N12 P4 -","4","1","","Emmanuelle Despagnet-Ayoub; Robert H. Grubbs","A Stable Four-Membered N-Heterocyclic Carbene","Journal of the American Chemical Society","2004","126","","10198","10199","10.1021/ja047892d","","","0.71073","MoKα","","0.0822","0.0525","","","0.081","0.0846","","","","","","1.496","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112877","13.7626","0.0006","16.2123","0.0008","21.7085","0.001","90","","101.342","0.001","90","","4749.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 N6 P2 -","- C50 H72 N6 P2 -","- C200 H288 N24 P8 -","4","1","","Emmanuelle Despagnet-Ayoub; Robert H. Grubbs","A Stable Four-Membered N-Heterocyclic Carbene","Journal of the American Chemical Society","2004","126","","10198","10199","10.1021/ja047892d","","","0.71073","MoKα","","0.095","0.05","","","0.0728","0.077","","","","","","1.445","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112878","13.21","0.003","13.543","0.003","5.9072","0.0012","90","","90","","90","","1056.8","0.4","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H2 K3 O10 Si3 Tb -","- H2 K3 O10 Si3 Tb -","- H8 K12 O40 Si12 Tb4 -","4","0.5","","Duarte Ananias; Mariya Kostova; Filipe A. Almeida Paz; Artur Ferreira; Luís D. Carlos; Jacek Klinowski; João Rocha","Photoluminescent Layered Lanthanide Silicates","Journal of the American Chemical Society","2004","126","","10410","10417","10.1021/ja047905n","","","0.71073","MoKα","","0.0408","0.0339","","","0.0838","0.0876","","","","","","1.085","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112879","13.1526","0.0003","13.5228","0.0003","5.8676","0.0002","90","","90","","90","","1043.61","0.05","293","2","298","","","","","","","","synthesis as described in the paper","5","P n m a","-P 2ac 2n","62","","Tripotassium erbium triorthosilicate","","- Er H2 K3 O10 Si3 -","- Er H2 K3 O10 Si3 -","- Er4 H8 K12 O40 Si12 -","4","0.5","","Duarte Ananias; Mariya Kostova; Filipe A. Almeida Paz; Artur Ferreira; Luís D. Carlos; Jacek Klinowski; João Rocha","Photoluminescent Layered Lanthanide Silicates","Journal of the American Chemical Society","2004","126","","10410","10417","10.1021/ja047905n","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0574","2.76","","","","","","","has coordinates","213922","2020-10-21","18:00:00",""
"4112880","13.2462","0.0002","13.6103","0.0003","5.9436","0.0002","90","","90","","90","","1071.54","0.05","293","2","298","","","","","","","","synthesis as described in the paper","5","P n m a","-P 2ac 2n","62","","Tripotassium europium triorthosilicate","","- Eu H2 K3 O10 Si3 -","- Eu H2 K3 O10 Si3 -","- Eu4 H8 K12 O40 Si12 -","4","0.5","","Duarte Ananias; Mariya Kostova; Filipe A. Almeida Paz; Artur Ferreira; Luís D. Carlos; Jacek Klinowski; João Rocha","Photoluminescent Layered Lanthanide Silicates","Journal of the American Chemical Society","2004","126","","10410","10417","10.1021/ja047905n","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0952","6.7","","","","","","","has coordinates","213922","2020-10-21","18:00:00",""
"4112881","10.3359","0.0004","15.0175","0.0006","8.8638","0.0004","90","","105.356","0.0031","90","","1326.71","0.1","298","","298","","","","","","","","synth-as-discribed","2","C 1 2/m 1","-C 2y","12","ITQ-12","[Si24O48]-ITW-ITQ-12","","- O6 Si3 -","- O6 Si3 -","- O48 Si24 -","8","1","","Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson","Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","10.1021/ja0481474","","x-ray","0.71026","","","","","","","","","0.10466","","6.61","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112882","10.336","0.0004","15.0177","0.0006","8.8639","0.00035","90","","105.356","0.0029","90","","1326.76","0.09","298","","298","","","","","","","","","2","C 1 m 1","C -2y","8","zeolite ITQ-12","[Si24O48]-ITW-ITQ-12","","- O48 Si24 -","- O12 Si6 -","- O48 Si24 -","4","1","","Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson","Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","10.1021/ja0481474","","","0.71026","synchrotron","","","","","","","","","","6.32","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112883","10.44783","0.00029","14.9854","0.0004","8.83659","0.00027","90","","105.935","0.0019","90","","1330.34","0.07","298","","298","","","","","","","","Synth-as-deiscribed","5","C 1 m 1","C -2y","8","ITQ-12","","","- C6 F N2 O24 Si12 -","- C5.5 F N2 O24 Si12 -","- C11 F2 N4 O48 Si24 -","2","0.5","","Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson","Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","10.1021/ja0481474","","x-ray","0.71026","Synchrotron","","","","","","","","0.07495","","5.88","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112884","11.8634","0.0009","6.4554","0.0005","17.1787","0.0013","90","","90","","90","","1315.6","0.17","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H4 N2 O2 S -","- C5 H4 N2 O2 S -","- C40 H32 N16 O16 S8 -","8","1","","Michael T. Ashby; Halikhedkar Aneetha","Reactive Sulfur Species: Aqueous Chemistry of Sulfenyl Thiocyanates","Journal of the American Chemical Society","2004","126","","10216","10217","10.1021/ja048585a","","","0.71073","MoKα","","0.0411","0.0389","","","0.1106","0.113","","","","","","1.051","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4112885","18.903","0.004","18.624","0.004","20.125","0.004","90","","94.36","0.03","90","","7064","3","133","2","133","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C72.65 H108.9 Al2 N4 O0.45 S2 Si2 -","- C72.653 H108.898 Al2 N4 O0.449 S2 Si2 -","- C290.612 H435.592 Al8 N16 O1.796 S8 Si8 -","4","1","","Hongping Zhu; Jianfang Chai; Qingjun Ma; Vojtech Jancik; Herbert W. Roesky; Hongjun Fan; Regine Herbst-Irmer","A Seven-Membered Aluminum Sulfur Allenyl Heterocycle Arising from the Conversion of an Aluminacyclopropene with CS2","Journal of the American Chemical Society","2004","126","","10194","10195","10.1021/ja049462t","","","1.54178","CuKα","","0.0421","0.0339","","","0.0728","0.0761","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112886","10.166","0.002","12.781","0.003","17.393","0.004","77.19","0.03","87.82","0.03","81.06","0.03","2176.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.32 H68.79 Al N2 O2.89 Si2 -","- C42.321 H68.786 Al N2 O2.893 Si2 -","- C84.642 H137.572 Al2 N4 O5.786 Si4 -","2","1","","Hongping Zhu; Jianfang Chai; Qingjun Ma; Vojtech Jancik; Herbert W. Roesky; Hongjun Fan; Regine Herbst-Irmer","A Seven-Membered Aluminum Sulfur Allenyl Heterocycle Arising from the Conversion of an Aluminacyclopropene with CS2","Journal of the American Chemical Society","2004","126","","10194","10195","10.1021/ja049462t","","","1.54178","CuKα","","0.0368","0.0357","","","0.0885","0.0895","","","","","","1.024","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112887","10.448","","14.9855","","8.8367","","90","","105.94","","90","","1330.35","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 F2 I24 N4 O48 S -","- C1.5 F0.25 N0.5 O6 Si3 -","- C12 F2 N4 O48 Si24 -","8","1","","Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson","Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","10.1021/ja0481474","","","","","","","","","","","","","","5.62","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112888","13.6056","0.0003","23.3073","0.0004","19.1246","0.0004","90","","105.461","0.001","90","","5845.1","0.2","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H94 F12 N10 O32 P4 Pt2 S4 -","- C92 H94 F12 N10 O32 P4 Pt2 S4 -","- C184 H188 F24 N20 O64 P8 Pt4 S8 -","2","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.0972","0.0652","","","0.165","0.1836","","","","","","1.116","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112889","13.2388","0.0003","24.2168","0.0005","19.015","0.0004","90","","106.889","0.0011","90","","5833.3","0.2","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C97 H89 F12 N4 O20 P4 Pt2 S4 -","- C97 H89 F12 N4 O20 P4 Pt2 S4 -","- C194 H178 F24 N8 O40 P8 Pt4 S8 -","2","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.1386","0.0812","","","0.1872","0.2126","","","","","","1.086","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112890","10.5043","0.0002","12.0394","0.0003","20.2334","0.0006","91.9466","0.001","104.844","0.0012","90.2628","0.002","2471.77","0.11","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C90 H92 F12 N4 O24 P4 Pd2 S4 -","- C90 H92 F12 N4 O24 P4 Pd2 S4 -","- C90 H92 F12 N4 O24 P4 Pd2 S4 -","1","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.0893","0.0551","","","0.1242","0.1417","","","","","","1.016","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112891","8.8151","0.0001","9.0347","0.0001","22.8904","0.0004","90.8881","0.0006","91.573","0.0006","99.6842","0.0006","1796","0.04","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C45 H63 F12 N5 O22 P4 Pt2 S4 -","- C45 H63 F12 N5 O22 P4 Pt2 S4 -","- C45 H63 F12 N5 O22 P4 Pt2 S4 -","1","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.055","0.051","","","0.1217","0.1233","","","","","","1.187","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112892","8.8035","0.0002","9.1015","0.0002","23.335","0.0007","89.8587","0.0007","88.1624","0.0008","80.5377","0.0016","1843.32","0.08","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C50 H74 F12 N4 O21 P4 Pt2 S4 -","- C50 H74 F12 N4 O21 P4 Pt2 S4 -","- C50 H74 F12 N4 O21 P4 Pt2 S4 -","1","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.0558","0.0429","","","0.0938","0.1003","","","","","","1.054","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112893","12.8418","0.0003","28.6558","0.0007","14.1269","0.0004","90","","105.472","0.001","90","","5010.2","0.2","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C91 H80 F12 N4 O21 P4 Pd2 S4 -","- C91 H80 F12 N4 O21 P4 Pd2 S4 -","- C182 H160 F24 N8 O42 P8 Pd4 S8 -","2","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.1261","0.069","","","0.1619","0.1882","","","","","","1.033","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112894","11.7834","0.0002","15.3708","0.0003","15.4053","0.0003","88.4998","0.0008","81.9321","0.0008","70.4728","0.0013","2603.06","0.09","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C98 H88 F12 N8 O24 P4 Pd2 S4 -","- C98 H88 F12 N8 O24 P4 Pd2 S4 -","- C98 H88 F12 N8 O24 P4 Pd2 S4 -","1","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.0945","0.0615","","","0.1384","0.1576","","","","","","1.027","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112895","10.132","0.003","13.768","0.004","21.539","0.006","81.366","0.004","86.409","0.004","86.84","0.005","2961.6","1.5","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H136 N16 O4 Ru4 Si2 -","- C119.152 H117.872 N16 O3.516 Ru4 Si2 -","- C119.152 H117.872 N16 O3.516 Ru4 Si2 -","1","0.5","","Yanhui Shi; Gordon T. Yee; Guangbin Wang; Tong Ren","A New Direction in Carbon-Rich Organometallic Wires: Diruthenium Compounds Bridged by E-Hex-3-ene-1,5-diyn-diyl","Journal of the American Chemical Society","2004","126","","10552","10553","10.1021/ja0466614","","","0.71073","MoKα","","0.1012","0.0527","","","0.1335","0.1522","","","","","","1.019","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112896","11.806","0.003","18.744","0.005","13.238","0.004","90","","92.104","0.005","90","","2927.5","1.4","373","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H51 F6 Ni P3 Si -","- C22 H51 F6 Ni P3 Si -","- C88 H204 F24 Ni4 P12 Si4 -","4","1","","Kristina D. Kitiachvili; Daniel J. Mindiola; Gregory L. Hillhouse","Preparation of Stable Alkyl Complexes of Ni(I) and Their One-Electron Oxidation to Ni(II) Complex Cations","Journal of the American Chemical Society","2004","126","","10554","10555","10.1021/ja047052z","","","0.71073","MoKα","","0.0902","0.0711","","","0.149","0.1571","","","","","","1.132","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112897","10.38","0.006","16.047","0.009","16.455","0.009","90","","107.844","0.01","90","","2609","3","373","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H51 Ni P2 -","- C23 H51 Ni P2 -","- C92 H204 Ni4 P8 -","4","1","","Kristina D. Kitiachvili; Daniel J. Mindiola; Gregory L. Hillhouse","Preparation of Stable Alkyl Complexes of Ni(I) and Their One-Electron Oxidation to Ni(II) Complex Cations","Journal of the American Chemical Society","2004","126","","10554","10555","10.1021/ja047052z","","","0.71073","MoKα","","0.0543","0.0451","","","0.1009","0.1055","","","","","","1.05","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112898","35.135","0.003","12.723","0.0011","13.4387","0.0012","90","","90","","90","","6007.4","0.9","373","2","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C60 H65 B F24 Ni P2 -","- C60 H65 B F24 Ni P2 -","- C240 H260 B4 F96 Ni4 P8 -","4","1","","Kristina D. Kitiachvili; Daniel J. Mindiola; Gregory L. Hillhouse","Preparation of Stable Alkyl Complexes of Ni(I) and Their One-Electron Oxidation to Ni(II) Complex Cations","Journal of the American Chemical Society","2004","126","","10554","10555","10.1021/ja047052z","","","0.71073","MoKα","","0.0637","0.0579","","","0.1283","0.1317","","","","","","1.064","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112899","8.7734","0.0005","15.7513","0.0009","18.5648","0.0011","90","","91.093","0.001","90","","2565","0.3","373","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 Ni P2 Si -","- C22 H50 Ni P2 Si -","- C88 H200 Ni4 P8 Si4 -","4","1","","Kristina D. Kitiachvili; Daniel J. Mindiola; Gregory L. Hillhouse","Preparation of Stable Alkyl Complexes of Ni(I) and Their One-Electron Oxidation to Ni(II) Complex Cations","Journal of the American Chemical Society","2004","126","","10554","10555","10.1021/ja047052z","","","0.71073","MoKα","","0.0459","0.0392","","","0.1039","0.1076","","","","","","1.046","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112900","18.6448","0.0014","17.6953","0.0014","12.6498","0.001","90","","114.431","0.001","90","","3799.8","0.5","91","2","91","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","[Li(THF)3(Et2O)][Li(HGeDipp*)2]","","","- C76 H98 Ge2 Li2 O4 -","- C78 H98 Ge2 Li2 O4 -","- C156 H196 Ge4 Li4 O8 -","2","0.25","","Anne F. Richards; Marcin Brynda; Philip P. Power","Reduction of Digermenes with Alkali Metals: Salts of Formula M2[{Ge(H)Ar'}2] (M = Li, Na, or K, Ar' = Terphenyl) with Three Different Structures","Journal of the American Chemical Society","2004","126","","10530","10531","10.1021/ja047090i","","","0.71073","MoKα","","0.0996","0.0866","","","0.2484","0.2612","","","","","","1.092","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112901","11.4599","0.0011","18.3736","0.0018","13.3713","0.0013","90","","101.959","0.002","90","","2754.3","0.5","91","2","91","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(Dipp*GeH2)]K2","","","- C60 H76 Ge2 K2 -","- C60 H76 Ge2 K2 -","- C120 H152 Ge4 K4 -","2","0.5","","Anne F. Richards; Marcin Brynda; Philip P. Power","Reduction of Digermenes with Alkali Metals: Salts of Formula M2[{Ge(H)Ar'}2] (M = Li, Na, or K, Ar' = Terphenyl) with Three Different Structures","Journal of the American Chemical Society","2004","126","","10530","10531","10.1021/ja047090i","","","0.71073","MoKα","","0.038","0.0304","","","0.0781","0.0848","","","","","","0.875","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112902","11.6034","0.0015","17.856","0.002","13.1893","0.0017","90","","100.058","0.002","90","","2690.7","0.6","91","2","91","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Na]2[Dipp*Ge(mu-H)]2","","","- C60 H76 Ge2 Na2 -","- C60 H76 Ge2 Na2 -","- C120 H152 Ge4 Na4 -","2","0.5","","Anne F. Richards; Marcin Brynda; Philip P. Power","Reduction of Digermenes with Alkali Metals: Salts of Formula M2[{Ge(H)Ar'}2] (M = Li, Na, or K, Ar' = Terphenyl) with Three Different Structures","Journal of the American Chemical Society","2004","126","","10530","10531","10.1021/ja047090i","","","0.71073","MoKα","","0.0472","0.0384","","","0.1042","0.1112","","","","","","1.033","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112903","10.9314","0.0013","19.06","0.002","36.468","0.004","90","","90","","90","","7598.2","1.5","118","2","118","2","","","","","","","","5","P 21 c a","P -2ac 2a","29","","","","- C38 H62 N2 Si V -","- C37.9885 H61.9655 N2 Si V -","- C303.908 H495.724 N16 Si8 V8 -","8","2","","Falguni Basuli; Brad C. Bailey; Douglas Brown; John Tomaszewski; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal Vanadium-Neopentylidyne Complexes and Intramolecular Cross-Metathesis Reactions to Generate Azametalacyclohexatrienes","Journal of the American Chemical Society","2004","126","","10506","10507","10.1021/ja0472376","","","0.71073","MoKα","","0.1064","0.0822","","","0.2174","0.2344","","","","","","1.013","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112904","19.3873","0.0014","19.3873","0.0014","19.837","0.003","90","","90","","90","","7456.1","1.4","118","2","118","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C35 H50 F3 N2 O3 S V -","- C35 H50 F3 N2 O3 S V -","- C280 H400 F24 N16 O24 S8 V8 -","8","1","","Falguni Basuli; Brad C. Bailey; Douglas Brown; John Tomaszewski; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal Vanadium-Neopentylidyne Complexes and Intramolecular Cross-Metathesis Reactions to Generate Azametalacyclohexatrienes","Journal of the American Chemical Society","2004","126","","10506","10507","10.1021/ja0472376","","","0.71073","MoKα","","0.0648","0.0431","","","0.0955","0.1015","","","","","","0.9","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112905","9.4958","0.0009","10.8384","0.001","17.7702","0.0017","96.789","0.002","91.184","0.003","99.567","0.002","1789.3","0.3","112","2","112","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H50 F3 N2 O3 S V -","- C35 H50 F3 N2 O3 S V -","- C70 H100 F6 N4 O6 S2 V2 -","2","1","","Falguni Basuli; Brad C. Bailey; Douglas Brown; John Tomaszewski; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal Vanadium-Neopentylidyne Complexes and Intramolecular Cross-Metathesis Reactions to Generate Azametalacyclohexatrienes","Journal of the American Chemical Society","2004","126","","10506","10507","10.1021/ja0472376","","","0.71073","MoKα","","0.0527","0.0382","","","0.0943","0.0999","","","","","","0.945","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112906","12.054","0.008","14.486","0.01","18.387","0.013","95.661","0.019","101.827","0.016","101.927","0.019","3041","4","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H90 B N2 O2 V -","- C66 H84.191 B N2 O2 V -","- C132 H168.382 B2 N4 O4 V2 -","2","1","","Falguni Basuli; Brad C. Bailey; Douglas Brown; John Tomaszewski; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal Vanadium-Neopentylidyne Complexes and Intramolecular Cross-Metathesis Reactions to Generate Azametalacyclohexatrienes","Journal of the American Chemical Society","2004","126","","10506","10507","10.1021/ja0472376","","","0.71073","MoKα","","0.1466","0.0613","","","0.1252","0.1509","","","","","","0.812","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112907","20.5213","0.0003","20.5213","0.0003","20.5213","0.0003","90","","90","","90","","8642","0.2","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)2 x 2.33(H2O)","","- C8 H8 Co2 O13.33 -","- C8 H8 Co2 O13.3333 -","- C192 H192 Co48 O320 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.0375","0.035","","","0.106","0.1084","","","","","","1.047","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112908","20.7929","0.0003","20.7929","0.0003","20.7929","0.0003","90","","90","","90","","8989.7","0.2","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","{[Zn3[C4H4O(COO)4](OH)2(H2O)1.33} x [Zn(OH)2(H2O)4]0.06 x (~3H2O)","","- C8 H6 O15.67 Zn3.06 -","- C8 H6 O15.6667 Zn3.06017 -","- C192 H144 O376 Zn73.444 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.0315","0.0299","","","0.0954","0.0963","","","","","","1.113","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112909","20.329","0.001","20.329","0.001","20.329","0.001","90","","90","","90","","8401.3","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)","","- C8 H6 Co2 O10 -","- C8 H6 Co2 O10 -","- C192 H144 Co48 O240 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.1514","0.0695","","","0.1432","0.1773","","","","","","1.004","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112910","20.448","0.001","20.448","0.001","20.448","0.001","90","","90","","90","","8549.7","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)2 x 2.33H2O","","- C8 H8 Co2 O13.33 -","- C8 H8 Co2 O13.3333 -","- C192 H192 Co48 O320 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.0924","0.0541","","","0.1302","0.1481","","","","","","1.073","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112911","20.273","0.001","20.273","0.001","20.273","0.001","90","","90","","90","","8332.1","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)","","- C8 H4 Co2 O10 -","- C8 H4 Co2 O10 -","- C192 H96 Co48 O240 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.203","0.0821","","","0.1852","0.2211","","","","","","0.938","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112912","20.495","0.001","20.495","0.001","20.495","0.001","90","","90","","90","","8608.8","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)2 x 2.33(H2O)","","- C8 H8 Co2 O13.33 -","- C8 H8 Co2 O13.3333 -","- C192 H192 Co48 O320 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.0817","0.0531","","","0.1362","0.1528","","","","","","1.038","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112913","20.482","0.001","20.482","0.001","20.482","0.001","90","","90","","90","","8592.5","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","{[Zn3(O)0.75[C4H4O(COO)4](OH)0.5(H2O)0.83} x [Zn(OH)2(H2O)4]0.02","","- C8 H4 O11.08 Zn3.02 -","- C8 H4 O11.0833 Zn3.02333 -","- C192 H96 O266 Zn72.56 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.1633","0.071","","","0.1443","0.184","","","","","","1.013","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112914","20.483","0.001","20.483","0.001","20.483","0.001","90","","90","","90","","8593.7","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Zn3(O)[C4H4O(COO)4](H2O)0.5","","- C8 H4 O10.5 Zn3 -","- C8 H4 O10.5 Zn3.02333 -","- C192 H96 O252 Zn72.56 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.1732","0.0766","","","0.1662","0.2086","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112915","20.713","0.001","20.713","0.001","20.713","0.001","90","","90","","90","","8886.5","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","{[Zn3(O)0.12[C4H4O(COO)4](OH)1.76(H2O)1.33} x [Zn(OH)2(H2O)4]0.06 x (~2.5H2O)","","- C8 H4 O15.06 Zn3.01 -","- C8 H4 O15.0467 Zn3.01217 -","- C192 H96 O361.12 Zn72.292 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.1268","0.0595","","","0.1352","0.1636","","","","","","1.034","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112916","19.7763","0.0016","17.0482","0.0014","8.2902","0.0007","90","","110.11","0.001","90","","2624.6","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H20 B Br2 F2 N3 -","- C32 H20 B Br2 F2 N3 -","- C128 H80 B4 Br8 F8 N12 -","4","1","","Aoife Gorman; John Killoran; Caroline O'Shea; Tony Kenna; William M. Gallagher; Donal F. O'Shea","In Vitro Demonstration of the Heavy-Atom Effect for Photodynamic Therapy","Journal of the American Chemical Society","2004","126","","10619","10631","10.1021/ja047649e","","","0.71073","MoKα","","0.0281","0.0266","","","0.0632","0.0639","","","","","","1.062","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112917","11.0558","0.0015","28.104","0.004","11.1187","0.0015","90","","106.96","0.002","90","","3304.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","03277","","","- C24 H52 Si4 Th -","- C24 H52 Si4 Th -","- C96 H208 Si16 Th4 -","4","1","","Christin N. Carlson; Timothy P. Hanusa; William W. Brennessel","Metal Allyl Complexes with Bulky Ligands: Stabilization of Homoleptic Thorium Compounds, [(SiMe3)nC3H5-n]4Th (n= 1, 2)","Journal of the American Chemical Society","2004","126","","10550","10551","10.1021/ja047770l","","","0.71073","MoKα","","0.0339","0.0257","","","0.0537","0.0562","","","","","","1.053","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112918","41.77","0.006","12.227","0.002","20.379","0.003","90","","98.543","0.002","90","","10293","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","03242","","","- C36 H84 Si8 Th -","- C36 H84 Si8 Th -","- C288 H672 Si64 Th8 -","8","1","","Christin N. Carlson; Timothy P. Hanusa; William W. Brennessel","Metal Allyl Complexes with Bulky Ligands: Stabilization of Homoleptic Thorium Compounds, [(SiMe3)nC3H5-n]4Th (n= 1, 2)","Journal of the American Chemical Society","2004","126","","10550","10551","10.1021/ja047770l","","","0.71073","MoKα","","0.0673","0.0412","","","0.0896","0.1","","","","","","1.034","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112919","31.853","0.0003","31.853","0.0003","8.438","0.0002","90","","90","","90","","8561.3","0.2","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C22 H36 U -","- C22 H36 U -","- C352 H576 U16 -","16","1","","Eyal Barnea; Tamer Andrea; Moshe Kapon; Jean-Claude Berthet; Michel Ephritikhine; Moris S. Eisen","Catalytic Coupling of Terminal Alkynes with Isonitriles Promoted by Organoactinide Complexes","Journal of the American Chemical Society","2004","126","","10860","10861","10.1021/ja046604a","","","0.71073","MoKα","","0.0514","0.0288","","","0.0546","0.0575","","","","","","0.909","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112920","8.6475","0.0005","11.3708","0.0007","22.7506","0.0014","102.309","0.001","93.762","0.001","96.21","0.001","2163.7","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H40 F12 N8 O P2 Ru -","- C39 H40 F12 N8 O P2 Ru -","- C78 H80 F24 N16 O2 P4 Ru2 -","2","1","","Ruifa Zong; Randolph P. Thummel","2,9-Di-(2'-pyridyl)-1,10-phenanthroline: A Tetradentate Ligand for Ru(II)","Journal of the American Chemical Society","2004","126","","10800","10801","10.1021/ja047410y","","","0.71073","MoKα","","0.0559","0.0398","","","0.0996","0.1116","","","","","","1.071","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112921","8.9301","","9.493","0.001","9.7181","0.0001","71.094","0.008","82.632","0.0003","73.364","0.0004","746.2","0.09","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 N O3 Ru Si -","- C12 H13 N O3 Ru Si -","- C24 H26 N2 O6 Ru2 Si2 -","2","1","","Kenichiro Itami; Koichi Mitsudo; Kazuyoshi Fujita; Youichi Ohashi; Jun-ichi Yoshida","Catalytic Intermolecular Pauson-Khand-Type Reaction: Strong Directing Effect of Pyridylsilyl and Pyrimidylsilyl Groups and Isolation of Ru Complexes Relevant to Catalytic Reaction","Journal of the American Chemical Society","2004","126","","11058","11066","10.1021/ja047484+","","","0.7107","MoKα","","","0.059","","","","0.066","","","","","","2.255","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112922","8.616","0.002","10.869","0.003","15.068","0.004","102.086","0.009","94.544","0.011","111.186","0.011","1267.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N O Ru2 -","- C27 H35 N O Ru2 -","- C54 H70 N2 O2 Ru4 -","2","1","","Shin Takemoto; Tomoharu Kobayashi; Hiroyuki Matsuzaka","Reactivity of Amido Ligands on a Dinuclear Ru(II) Center: Formation of Imido Complexes and C-N Coupling Reaction with Alkyne","Journal of the American Chemical Society","2004","126","","10802","10803","10.1021/ja047920s","","","0.71075","MoKα","","0.137","0.0599","","","0.1086","0.1295","","","","","","0.925","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112923","16.2289","0.0014","12.5086","0.0013","17.0085","0.0011","90","","90","","90","","3452.7","0.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H45 N Ru2 -","- C39 H44 N2 Ru2 -","- C156 H176 N8 Ru8 -","4","0.5","","Shin Takemoto; Tomoharu Kobayashi; Hiroyuki Matsuzaka","Reactivity of Amido Ligands on a Dinuclear Ru(II) Center: Formation of Imido Complexes and C-N Coupling Reaction with Alkyne","Journal of the American Chemical Society","2004","126","","10802","10803","10.1021/ja047920s","","","0.71075","MoKα","","0.0885","0.0436","","","0.0878","0.1015","","","","","","0.999","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112924","10.4556","0.0007","20.399","0.003","14.379","0.0014","90","","104.395","0.005","90","","2970.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 N2 Ru2 -","- C31 H35 N2 Ru2 -","- C124 H140 N8 Ru8 -","4","1","","Shin Takemoto; Tomoharu Kobayashi; Hiroyuki Matsuzaka","Reactivity of Amido Ligands on a Dinuclear Ru(II) Center: Formation of Imido Complexes and C-N Coupling Reaction with Alkyne","Journal of the American Chemical Society","2004","126","","10802","10803","10.1021/ja047920s","","","0.71075","MoKα","","0.0769","0.0485","","","0.1142","0.1241","","","","","","1.052","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112925","8.621","0.003","11.041","0.004","15.143","0.006","103.82","0.03","89.08","0.03","113.05","0.03","1283.1","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H37 N Ru2 -","- C27 H37 N Ru2 -","- C54 H74 N2 Ru4 -","2","1","","Shin Takemoto; Tomoharu Kobayashi; Hiroyuki Matsuzaka","Reactivity of Amido Ligands on a Dinuclear Ru(II) Center: Formation of Imido Complexes and C-N Coupling Reaction with Alkyne","Journal of the American Chemical Society","2004","126","","10802","10803","10.1021/ja047920s","","","0.71075","MoKα","","0.1062","0.0552","","","0.1077","0.1222","","","","","","0.996","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112926","20.17","0.001","14.898","0.001","23.905","0.001","90","","92.44","0.01","90","","7176.8","0.7","198","2","198","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C35 H27 B Cl2 F10 N2 Si Zr -","- C35 H27 B Cl2 F10 N2 Si Zr -","- C280 H216 B8 Cl16 F80 N16 Si8 Zr8 -","8","1","","Michael Hill; Gerhard Erker; Gerald Kehr; Roland Fröhlich; Olga Kataeva","Exploring CH-Activation Pathways in Bifunctional Zirconocene/Borane Systems","Journal of the American Chemical Society","2004","126","","11046","11057","10.1021/ja048447l","","","0.71073","MoKα","","0.0911","0.0424","","","0.0917","0.1087","","","","","","1.011","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112927","9.766","0.001","10.662","0.001","18.675","0.001","104.46","0.01","96.15","0.01","109.47","0.01","1736.2","0.3","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 B F10 Si Zr -","- C40 H31 B F10 Si Zr -","- C80 H62 B2 F20 Si2 Zr2 -","2","1","","Michael Hill; Gerhard Erker; Gerald Kehr; Roland Fröhlich; Olga Kataeva","Exploring CH-Activation Pathways in Bifunctional Zirconocene/Borane Systems","Journal of the American Chemical Society","2004","126","","11046","11057","10.1021/ja048447l","","","0.71073","MoKα","","0.0437","0.0351","","","0.0863","0.0908","","","","","","1.061","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112928","14.3226","0.0019","22.814","0.003","21.159","0.003","90","","104.85","0.014","90","","6682.9","1.6","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H64 Cl6 Fe Ni2 P4 -","- C67 H64 Cl6 Fe Ni2 P4 -","- C268 H256 Cl24 Fe4 Ni8 P16 -","4","1","","Jean-Cyrille Hierso; Aziz Fihri; Vladimir V. Ivanov; Bernard Hanquet; Nadine Pirio; Bruno Donnadieu; Bertrand Rebière; Régine Amardeil; Philippe Meunier","""Through-Space"" Nuclear Spin-Spin JPP Coupling in Tetraphosphine Ferrocenyl Derivatives: A 31P NMR and X-ray Structure Correlation Study for Coordination Complexes","Journal of the American Chemical Society","2004","126","","11077","11087","10.1021/ja048907a","","","0.71073","MoKα","","0.2044","0.0783","","","0.1718","0.2386","","","","","","0.823","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112929","12.1064","0.0002","40.2368","0.0007","14.5029","0.0003","90","","93.32","0.001","90","","7052.8","0.2","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H65 Br2 Cl9 Fe Ni P4 -","- C69 H65 Br2 Cl9 Fe Ni P4 -","- C276 H260 Br8 Cl36 Fe4 Ni4 P16 -","4","1","","Jean-Cyrille Hierso; Aziz Fihri; Vladimir V. Ivanov; Bernard Hanquet; Nadine Pirio; Bruno Donnadieu; Bertrand Rebière; Régine Amardeil; Philippe Meunier","""Through-Space"" Nuclear Spin-Spin JPP Coupling in Tetraphosphine Ferrocenyl Derivatives: A 31P NMR and X-ray Structure Correlation Study for Coordination Complexes","Journal of the American Chemical Society","2004","126","","11077","11087","10.1021/ja048907a","","","0.71073","MoKα","","0.1668","0.0691","","","0.1278","0.1583","","","","","","1.014","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112930","7.7217","0.0008","11.3593","0.0011","15.5075","0.0015","98.959","0.002","97.956","0.002","104.367","0.002","1279.1","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 Fe4 N8 O8 S6 -","- C8 H16 Fe4 N8 O8 S6 -","- C16 H32 Fe8 N16 O16 S12 -","2","1","","Chao-Yi Chiang; Matthew L. Miller; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Bismercaptoethanediazacyclooctane as a N2S2 Chelating Agent and Cys-X-Cys Mimic for Fe(NO) and Fe(NO)2","Journal of the American Chemical Society","2004","126","","10867","10874","10.1021/ja049627y","","","0.71073","MoKα","","0.0437","0.0408","","","0.108","0.1114","","","","","","1.08","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112931","7.665","0.006","23.861","0.018","7.803","0.006","90","","112.869","0.014","90","","1314.9","1.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Fe N3 O S2 -","- C10 H20 Fe N3 O S2 -","- C40 H80 Fe4 N12 O4 S8 -","4","1","","Chao-Yi Chiang; Matthew L. Miller; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Bismercaptoethanediazacyclooctane as a N2S2 Chelating Agent and Cys-X-Cys Mimic for Fe(NO) and Fe(NO)2","Journal of the American Chemical Society","2004","126","","10867","10874","10.1021/ja049627y","","","0.71073","MoKα","","0.096","0.0717","","","0.1702","0.182","","","","","","1.06","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112932","16.448","0.01","12.384","0.008","28.996","0.017","90","","90","","90","","5906","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H21 Fe N4 O2 S2 -","- C10 H21 Fe N4 O2 S2 -","- C160 H336 Fe16 N64 O32 S32 -","16","2","","Chao-Yi Chiang; Matthew L. Miller; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Bismercaptoethanediazacyclooctane as a N2S2 Chelating Agent and Cys-X-Cys Mimic for Fe(NO) and Fe(NO)2","Journal of the American Chemical Society","2004","126","","10867","10874","10.1021/ja049627y","","","0.71073","MoKα","","0.1546","0.0581","","","0.1219","0.1481","","","","","","0.868","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112933","8.5445","0.0008","22.09","0.002","26.409","0.003","85.199","0.003","84.017","0.003","89.845","0.003","4940","0.9","112","2","112","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H37 N O3 S Si -","- C25 H37 N O3 S Si -","- C200 H296 N8 O24 S8 Si8 -","8","4","","P. Andrew Evans; Erich W. Baum","Diastereoselective Intramolecular Temporary Silicon-Tethered Rhodium-Catalyzed [4+2+2] Cycloisomerization Reactions: Regiospecific Incorporation of Substituted 1,3-Butadienes","Journal of the American Chemical Society","2004","126","","11150","11151","10.1021/ja046030+","","","0.71073","MoKα","","0.101","0.0511","","","0.0925","0.1074","","","","","","0.691","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112934","19.1175","0.0017","8.4638","0.0007","17.2327","0.0015","90","","116.296","0.002","90","","2499.8","0.4","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 N O3 S Si -","- C25 H37 N O3 S Si -","- C100 H148 N4 O12 S4 Si4 -","4","1","","P. Andrew Evans; Erich W. Baum","Diastereoselective Intramolecular Temporary Silicon-Tethered Rhodium-Catalyzed [4+2+2] Cycloisomerization Reactions: Regiospecific Incorporation of Substituted 1,3-Butadienes","Journal of the American Chemical Society","2004","126","","11150","11151","10.1021/ja046030+","","","0.71073","MoKα","","0.0784","0.0425","","","0.0763","0.086","","","","","","0.819","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112935","25.4245","0.001","9.5083","0.0004","25.4884","0.001","90","","98.36","0.001","90","","6096.2","0.4","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C13 H16 N2 O4 Pt S -","- C13 H16 N2 O4 Pt S -","- C208 H256 N32 O64 Pt16 S16 -","16","2","","Andrei N. Vedernikov; James C. Fettinger; Fabian Mohr","Synthesis and Reactivity of Dimethyl Platinum(IV) Hydrides in Water","Journal of the American Chemical Society","2004","126","","11160","11161","10.1021/ja046310p","","","0.71073","MoKα","","0.0335","0.0263","","","0.0602","0.063","","","","","","1.096","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112936","10.7681","0.0013","8.8122","0.0011","20.104","0.002","90","","104.914","0.002","90","","1843.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17.55 Cl2.11 N2 O3 Pt S -","- C14 H17.56 Cl2.11 N2 O3 Pt S -","- C56 H70.24 Cl8.44 N8 O12 Pt4 S4 -","4","1","","Andrei N. Vedernikov; James C. Fettinger; Fabian Mohr","Synthesis and Reactivity of Dimethyl Platinum(IV) Hydrides in Water","Journal of the American Chemical Society","2004","126","","11160","11161","10.1021/ja046310p","","","0.71073","MoKα","","0.051","0.0411","","","0.1066","0.1121","","","","","","1.074","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112937","15.5738","0.0005","17.2429","0.0008","18.2439","0.0008","90","","90.816","0.002","90","","4898.7","0.4","100","2","100","2","","","","","","","chemical synthesis","2","P 1 21/c 1","-P 2ybc","14","","9,10,11,20,21,22-Hexaphenyltetrabenzo[a,c,l,n]pentacene","","- C74 H46 -","- C74 H46 -","- C296 H184 -","4","1","","Jun Lu; Douglas M. Ho; Nancy J. Vogelaar; Christina M. Kraml; Robert A. Pascal","A Pentacene with a 144° Twist","Journal of the American Chemical Society","2004","126","","11168","11169","10.1021/ja046576w","","","0.97791","Synchrotron","","0.0683","0.0635","","0.1937","","0.1847","","","1.056","","","1.075","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112938","7.161","0.002","28.055","0.006","7.651","0.002","90","","110.3","0.1","90","","1441.6","1.1","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Mn N12 O6 -","- C30 H26 Mn N12 O6 -","- C60 H52 Mn2 N24 O12 -","2","0.5","","Danuta Dobrzyńska; Lucjan B. Jerzykiewicz","Adenine Ribbon with Watson-Crick and Hoogsteen Motifs as the ""Double-Sided Adhesive Tape"" in the Supramolecular Structure of Adenine and Metal Carboxylate","Journal of the American Chemical Society","2004","126","","11118","11119","10.1021/ja0470113","","","0.71073","MoKα","","0.0728","0.0454","","","0.131","0.1528","","","","","","1.107","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112939","13.7244","0.001","12.8123","0.0009","21.4443","0.0014","90","","105.997","0.001","90","","3624.8","0.4","193","2","193","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","Mo(OC[Ad]Mes)4","","","- C84 H110 Mo O5 -","- C84 H110 Mo O5 -","- C168 H220 Mo2 O10 -","2","0.5","","Han Sen Soo; Joshua S. Figueroa; Christopher C. Cummins","A Homoleptic Molybdenum(IV) Enolate Complex: Synthesis, Molecular and Electronic Structure, and NCN Group Transfer To Form a Terminal Cyanoimide of Molybdenum(VI)","Journal of the American Chemical Society","2004","126","","11370","11376","10.1021/ja0472533","","","0.71073","MoKα","","0.066","0.0584","","","0.1463","0.1503","","","","","","1.056","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112940","13.7807","0.0011","22.8234","0.0017","26.558","0.002","90","","101.402","0.002","90","","8188.2","1.1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(tBuNC)Mo(OC[Ad]Mes)4","","","- C93 H129 Mo N O6 -","- C93 H129 Mo N O6 -","- C372 H516 Mo4 N4 O24 -","4","1","","Han Sen Soo; Joshua S. Figueroa; Christopher C. Cummins","A Homoleptic Molybdenum(IV) Enolate Complex: Synthesis, Molecular and Electronic Structure, and NCN Group Transfer To Form a Terminal Cyanoimide of Molybdenum(VI)","Journal of the American Chemical Society","2004","126","","11370","11376","10.1021/ja0472533","","","0.71073","MoKα","","0.176","0.0862","","","0.1781","0.2065","","","","","","0.964","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112941","34.554","0.004","20.891","0.002","24.73","0.003","90","","99.32","0.002","90","","17616","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(NCN)Mo(OC[Ad]Mes)4","","","- C87 H100 Mo N2 O5.5 -","- C87 H100 Mo N2 O5.5 -","- C696 H800 Mo8 N16 O44 -","8","1","","Han Sen Soo; Joshua S. Figueroa; Christopher C. Cummins","A Homoleptic Molybdenum(IV) Enolate Complex: Synthesis, Molecular and Electronic Structure, and NCN Group Transfer To Form a Terminal Cyanoimide of Molybdenum(VI)","Journal of the American Chemical Society","2004","126","","11370","11376","10.1021/ja0472533","","","0.71073","MoKα","","0.0818","0.0572","","","0.1577","0.1669","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112942","9.4445","0.0016","9.4856","0.0016","12.352","0.002","86.959","0.003","85.645","0.003","89.977","0.003","1101.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H43 N O4 -","- C20 H43 N O4 -","- C40 H86 N2 O8 -","2","1","","Bradley A. Steinhoff; Ilia A. Guzei; Shannon S. Stahl","Mechanistic Characterization of Aerobic Alcohol Oxidation Catalyzed by Pd(OAc)2/Pyridine Including Identification of the Catalyst Resting State and the Origin of Nonlinear [Catalyst] Dependence","Journal of the American Chemical Society","2004","126","","11268","11278","10.1021/ja049962m","","","0.71073","MoKα","","0.0564","0.0498","","","0.1149","0.1175","","","","","","1.164","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112943","10.928","0.002","9.2369","0.0018","11.087","0.002","90","","109.07","0.003","90","","1057.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 O4 Pd -","- C24 H20 N2 O4 Pd -","- C48 H40 N4 O8 Pd2 -","2","1","","Bradley A. Steinhoff; Ilia A. Guzei; Shannon S. Stahl","Mechanistic Characterization of Aerobic Alcohol Oxidation Catalyzed by Pd(OAc)2/Pyridine Including Identification of the Catalyst Resting State and the Origin of Nonlinear [Catalyst] Dependence","Journal of the American Chemical Society","2004","126","","11268","11278","10.1021/ja049962m","","","0.71073","MoKα","","0.0468","0.0423","","","0.1017","0.1042","","","","","","1.052","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112944","9.0518","0.0007","12.5611","0.0007","29.0084","0.0015","90","","90","","90","","3298.3","0.4","173","","173","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Br4 Cd2 N3 O4 -","- C27 H27 Br4 Cd2 N3 O4 -","- C108 H108 Br16 Cd8 N12 O16 -","4","1","","Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser","Helical, Nonracemic Inorganic-Organic Hybrid Polymers of Cadmium Halides with Pentadentate Bis(oxazoline) Ligands","Journal of the American Chemical Society","2004","126","","11426","11427","10.1021/ja0469784","","","0.71073","MoKα","","0.0588","0.0344","","","0.0634","0.0684","","","","","","0.82","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112945","8.665","0.0009","12.219","0.0008","29.13","0.003","90","","95.297","0.012","90","","3071","0.5","173","","173","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C27 H27 Cd2 Cl4 N3 O4 -","- C27 H27 Cd2 Cl4 N3 O4 -","- C108 H108 Cd8 Cl16 N12 O16 -","4","2","","Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser","Helical, Nonracemic Inorganic-Organic Hybrid Polymers of Cadmium Halides with Pentadentate Bis(oxazoline) Ligands","Journal of the American Chemical Society","2004","126","","11426","11427","10.1021/ja0469784","","","0.71073","MoKα","","0.056","0.0313","","","0.0575","0.062","","","","","","0.826","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112946","16.107","0.0007","15.2446","0.0006","16.2557","0.0007","90","","118.082","0.001","90","","3521.6","0.3","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H118 Fe Mg4 N8 Na4 -","- C58 H118 Fe Mg4 N8 Na4 -","- C116 H236 Fe2 Mg8 N16 Na8 -","2","0.5","","Prokopis C. Andrikopoulos; David R. Armstrong; William Clegg; Carly J. Gilfillan; Eva Hevia; Alan R. Kennedy; Robert E. Mulvey; Charles T. O'Hara; John A. Parkinson; Duncan M. Tooke","A Homologous Series of Regioselectively Tetradeprotonated Group 8 Metallocenes: New Inverse Crown Ring Compounds Synthesized via a Mixed Sodium-Magnesium Tris(diisopropylamide) Synergic Base","Journal of the American Chemical Society","2004","126","","11612","11620","10.1021/ja0472230","","","0.71073","MoKα","","0.0502","0.0357","","","0.1043","0.1127","","","","","","1.248","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112947","16.1677","0.0005","15.1615","0.0006","16.1872","0.0006","90","","117.288","0.002","90","","3526.3","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H118 Mg4 N8 Na4 Ru -","- C58 H118 Mg4 N8 Na4 Ru -","- C116 H236 Mg8 N16 Na8 Ru2 -","2","0.5","","Prokopis C. Andrikopoulos; David R. Armstrong; William Clegg; Carly J. Gilfillan; Eva Hevia; Alan R. Kennedy; Robert E. Mulvey; Charles T. O'Hara; John A. Parkinson; Duncan M. Tooke","A Homologous Series of Regioselectively Tetradeprotonated Group 8 Metallocenes: New Inverse Crown Ring Compounds Synthesized via a Mixed Sodium-Magnesium Tris(diisopropylamide) Synergic Base","Journal of the American Chemical Society","2004","126","","11612","11620","10.1021/ja0472230","","","0.71073","MoKα","","0.1136","0.0529","","","0.0941","0.1103","","","","","","1.019","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112948","16.1472","0.0002","15.1476","0.0002","16.1729","0.0002","90","","117.255","0.001","90","","3516.57","0.08","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H118 Mg4 N8 Na4 Os -","- C58 H118 Mg4 N8 Na4 Os -","- C116 H236 Mg8 N16 Na8 Os2 -","2","0.5","","Prokopis C. Andrikopoulos; David R. Armstrong; William Clegg; Carly J. Gilfillan; Eva Hevia; Alan R. Kennedy; Robert E. Mulvey; Charles T. O'Hara; John A. Parkinson; Duncan M. Tooke","A Homologous Series of Regioselectively Tetradeprotonated Group 8 Metallocenes: New Inverse Crown Ring Compounds Synthesized via a Mixed Sodium-Magnesium Tris(diisopropylamide) Synergic Base","Journal of the American Chemical Society","2004","126","","11612","11620","10.1021/ja0472230","","","0.71073","MoKα","","0.0278","0.0203","","","0.0482","0.0502","","","","","","1.043","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112949","18.6299","0.0007","18.6299","0.0007","14.3535","0.001","90","","90","","90","","4981.7","0.4","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H144 N4 O40 P W12 -","- C64 H144 N4 O40 P W12 -","- C128 H288 N8 O80 P2 W24 -","2","0.25","","Wenlin Huang; Louis Todaro; Glenn P. A. Yap; Robert Beer; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Keggin Anions [PVnW12-nO40](3+n)-: Effect of Countercation and Vanadium Substitution on Fine Structure Constants","Journal of the American Chemical Society","2004","126","","11564","11573","10.1021/ja0475499","","","0.71073","MoKα","","0.0493","0.0429","","","0.115","0.1192","","","","","","1.067","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112950","19.057","0.003","19.057","0.003","12.505","0.003","90","","90","","120","","3933","1.3","295","2","295","2","","","","","","","","7","P 32","P 32","145","","","","- C2 H20 K2 O52 P V2 W10 -","- C K2 O53 P W10.041 -","- C3 K6 O159 P3 W30.123 -","3","1","","Wenlin Huang; Louis Todaro; Glenn P. A. Yap; Robert Beer; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Keggin Anions [PVnW12-nO40](3+n)-: Effect of Countercation and Vanadium Substitution on Fine Structure Constants","Journal of the American Chemical Society","2004","126","","11564","11573","10.1021/ja0475499","","","0.71073","MoKα","","0.0609","0.0478","","","0.1049","0.1118","","","","","","1.02","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112951","17.588","0.003","17.588","0.003","17.588","0.003","90","","90","","90","","5440.6","1.6","150","2","150","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C64 H144 N4 O40 V W12 -","- C69.12 H154.56 N4.08 O40 V W12 -","- C138.24 H309.12 N8.16 O80 V2 W24 -","2","0.0416667","","Wenlin Huang; Louis Todaro; Glenn P. A. Yap; Robert Beer; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Keggin Anions [PVnW12-nO40](3+n)-: Effect of Countercation and Vanadium Substitution on Fine Structure Constants","Journal of the American Chemical Society","2004","126","","11564","11573","10.1021/ja0475499","","","0.71073","MoKα","","0.0406","0.0344","","","0.0987","0.1069","","","","","","1.047","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112952","13.37556","0.00024","13.37556","","13.37556","","90","","90","","90","","2392.96","0.04","","","","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C30 Cr N6 O24 Ru6 -","- C30 Cr N6 O24 Ru6 -","- C60 Cr2 N12 O48 Ru12 -","2","0.0208333","","Thomas E. Vos; Yi Liao; William W. Shum; Jae-Hyuk Her; Peter W. Stephens; William M. Reiff; Joel S. Miller","Diruthenium Tetraacetate Monocation, [RuII/III2(O2CMe)4]+, Building Blocks for 3-D Molecule-Based Magnets","Journal of the American Chemical Society","2004","126","","11630","11639","10.1021/ja048135i","powder diffraction","x-ray","0.699471","","","","","","","","","0.05805","","2.06","","","","","","","has coordinates,has Fobs","178900","2020-10-21","18:00:00",""
"4112953","22.6378","0.0002","18.6415","0.0002","37.3315","0.0005","90","","102.007","0.001","90","","15409.3","0.3","115","2","115","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C142.5 H194 Cl F3 N8 O24 S13 -","- C142.5 H188 Cl F3 N8 O24 S13 -","- C570 H752 Cl4 F12 N32 O96 S52 -","4","1","","Clément Bonnot; Jean-Claude Chambron; Enrique Espinosa","Simultaneous Freezing of Chirality and In-Out Conformation of a Macropentacyclic Cryptand by Protonation","Journal of the American Chemical Society","2004","126","","11412","11413","10.1021/ja048441w","","","0.71069","MoKα","","0.2095","0.0807","","","0.1808","0.2312","","","","","","0.953","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112954","11.8502","0.0016","12.4174","0.0018","13.1985","0.0018","90","","94.424","0.008","90","","1936.4","0.5","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Fe2 N3 O5 P S2 -","- C14 H18 Fe2 N3 O5 P S2 -","- C56 H72 Fe8 N12 O20 P4 S8 -","4","1","","Rosario Mejia-Rodriguez; Daesung Chong; Joseph H. Reibenspies; Manuel P. Soriaga; Marcetta Y. Darensbourg","The Hydrophilic Phosphatriazaadamantane Ligand in the Development of H2 Production Electrocatalysts: Iron Hydrogenase Model Complexes","Journal of the American Chemical Society","2004","126","","12004","12014","10.1021/ja039394v","","","1.54178","CuKα","","0.1258","0.0657","","","0.1346","0.1542","","","","","","0.907","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112955","12.8193","0.001","24.0187","0.0019","8.433","0.0007","90","","105.569","0.001","90","","2501.3","0.3","383","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Fe2 N6 O4 P2 S2 -","- C19 H30 Fe2 N6 O4 P2 S2 -","- C76 H120 Fe8 N24 O16 P8 S8 -","4","1","","Rosario Mejia-Rodriguez; Daesung Chong; Joseph H. Reibenspies; Manuel P. Soriaga; Marcetta Y. Darensbourg","The Hydrophilic Phosphatriazaadamantane Ligand in the Development of H2 Production Electrocatalysts: Iron Hydrogenase Model Complexes","Journal of the American Chemical Society","2004","126","","12004","12014","10.1021/ja039394v","","","0.71073","MoKα","","0.071","0.0555","","","0.1303","0.1444","","","","","","1.099","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112956","9.8578","0.0002","8.8632","0.0002","19.536","0.002","90","","90.691","0.003","90","","1706.77","0.18","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","","Kenichiro Itami; Masahiro Mineno; Nobuhiro Muraoka; Jun-ichi Yoshida","Sequential Assembly Strategy for Tetrasubstituted Olefin Synthesis Using Vinyl 2-Pyrimidyl Sulfide as a Platform","Journal of the American Chemical Society","2004","126","","11778","11779","10.1021/ja045858t","","","0.7107","MoKα","","","0.115","","","","0.131","","","","","","2.593","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112957","9.8506","0.0019","11.529","0.002","11.5728","0.0015","85.452","0.004","76.899","0.003","86.067","0.003","1274.3","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H66 N2 O4 P2 Pt -","- C56 H66 N2 O4 P2 Pt -","- C56 H66 N2 O4 P2 Pt -","1","0.5","","Simon C. Jones; Veaceslav Coropceanu; Stephen Barlow; Tiffany Kinnibrugh; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder","Delocalization in Platinum-Alkynyl Systems: A Metal-Bridged Organic Mixed-Valence Compound","Journal of the American Chemical Society","2004","126","","11782","11783","10.1021/ja045869m","","","0.71073","MoKα","","0.0578","0.051","","","0.1102","0.1129","","","","","","0.945","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112958","10.832","0.003","11.866","0.003","11.588","0.003","90","","106.96","0.02","90","","1424.7","0.7","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H22 O4 S2 -","- C34 H24 O4 S2 -","- C68 H48 O8 S4 -","2","1","","Eiko Ichikawa; Masato Suzuki; Kazuo Yabu; Matthias Albert; Motomu Kanai; Masakatsu Shibasaki","New Entries in Lewis Acid-Lewis Base Bifunctional Asymmetric Catalyst: Catalytic Enantioselective Reissert Reaction of Pyridine Derivatives","Journal of the American Chemical Society","2004","126","","11808","11809","10.1021/ja045966f","","","0.7107","MoKα","","","0.035","","","","0.074","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112959","10.393","0.001","10.421","0.001","24.059","0.002","80.009","0.003","78.037","0.006","67.813","0.001","2347.3","0.4","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H86 Ni2 O2 P2 -","- C48 Ni2 O2 P2 -","- C96 Ni4 O4 P4 -","2","1","","Sensuke Ogoshi; Masa-aki Oka; Hideo Kurosawa","Direct Observation of Oxidative Cyclization of η2-Alkene and η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of Me3SiOTf","Journal of the American Chemical Society","2004","126","","11802","11803","10.1021/ja0460716","","","0.7107","MoKα","","","0.109","","","","0.218","","","","","","4.932","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112960","11.2613","0.0008","11.348","0.001","12.122","0.001","98.863","0.002","95.684","0.003","95.96","0.004","1511.9","0.2","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H98 Ni2 O2 P2 -","- C68 H98 Ni2 O2 P2 -","- C68 H98 Ni2 O2 P2 -","1","0.5","","Sensuke Ogoshi; Masa-aki Oka; Hideo Kurosawa","Direct Observation of Oxidative Cyclization of η2-Alkene and η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of Me3SiOTf","Journal of the American Chemical Society","2004","126","","11802","11803","10.1021/ja0460716","","","0.7107","MoKα","","","0.057","","","","0.122","","","","","","0.288","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112961","11.2785","0.0004","23.2551","0.0009","14.0961","0.0005","90","","100.417","0.0009","90","","3636.2","0.2","273.1","","","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C32 H52 F3 Ni O4 P S Si -","- C32 H52 F3 Ni O4 P S Si -","- C128 H208 F12 Ni4 O16 P4 S4 Si4 -","4","1","","Sensuke Ogoshi; Masa-aki Oka; Hideo Kurosawa","Direct Observation of Oxidative Cyclization of η2-Alkene and η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of Me3SiOTf","Journal of the American Chemical Society","2004","126","","11802","11803","10.1021/ja0460716","","","0.7107","MoKα","","","0.0665","","","","0.137","","","","","","3.898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112962","13.8413","0.0008","17.639","0.001","13.8433","0.0008","90","","88.445","0.002","90","","3378.6","0.3","273.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H52 F3 Ni O4 P S Si -","- C27 H52 F3 Ni O4 P S Si -","- C108 H208 F12 Ni4 O16 P4 S4 Si4 -","4","1","","Sensuke Ogoshi; Masa-aki Oka; Hideo Kurosawa","Direct Observation of Oxidative Cyclization of η2-Alkene and η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of Me3SiOTf","Journal of the American Chemical Society","2004","126","","11802","11803","10.1021/ja0460716","","","0.7107","MoKα","","","0.0771","","","","0.0999","","","","","","2.536","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112963","8.5511","0.0009","11.618","0.0013","14.657","0.002","90","","90.712","0.006","90","","1456","0.3","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H54 Al2 O2 -","- C26 H54 Al2 O2 -","- C52 H108 Al4 O4 -","2","0.5","","Mark R. Mason; Bingxu Song; Kristin Kirschbaum","Remarkable Room-Temperature Insertion of Carbon Monoxide into an Aluminum-Carbon Bond of Tri-tert-butylaluminum","Journal of the American Chemical Society","2004","126","","11812","11813","10.1021/ja046411n","","","0.71073","MoKα","","0.0695","0.0612","","","0.1156","0.1186","","","","","","1.322","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112964","13.917","0.006","14.869","0.006","17.83","0.008","111.866","0.012","90.764","0.009","103.946","0.01","3301","2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C74 H100 Sn2 -","- C74 H100 Sn2 -","- C148 H200 Sn4 -","2","1","","Lise Baiget; Henri Ranaivonjatovo; Jean Escudié; Heinz Gornitzka","A Stable Distannirane","Journal of the American Chemical Society","2004","126","","11792","11793","10.1021/ja0464239","","","0.71073","MoKα","","0.1202","0.0679","","","0.1438","0.1651","","","","","","1.022","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112965","11.763","0.002","13.693","0.002","14.138","0.002","67.256","0.003","72.859","0.003","70.282","0.003","1941.3","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 Cl F Sn -","- C44 H54 Cl F Sn -","- C88 H108 Cl2 F2 Sn2 -","2","1","","Lise Baiget; Henri Ranaivonjatovo; Jean Escudié; Heinz Gornitzka","A Stable Distannirane","Journal of the American Chemical Society","2004","126","","11792","11793","10.1021/ja0464239","","","0.71073","MoKα","","0.0639","0.0465","","","0.1126","0.1228","","","","","","1.006","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112966","15.784","0.004","16.137","0.004","16.38","0.004","64.733","0.007","70.887","0.007","76.725","0.007","3545.2","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H40 Mo3 P2 S22 -","- C57 H40 Mo3 P2 S22 -","- C114 H80 Mo6 P4 S44 -","2","1","","Rosa Llusar; Santiago Uriel; Cristian Vicent; Juan M. Clemente-Juan; Eugenio Coronado; Carlos J. Gómez-García; Benoit Braïda; Enric Canadell","Single-Component Magnetic Conductors Based on Mo3S7 Trinuclear Clusters with Outer Dithiolate Ligands","Journal of the American Chemical Society","2004","126","","12076","12083","10.1021/ja0474244","","","0.71073","MoKα","","0.1356","0.0641","","","0.1555","0.1935","","","","","","1.03","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112967","16.135","0.006","24.632","0.008","17.983","0.007","90","","109.177","0.007","90","","6751","4","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H73 Cl Mo3 N2 S22 -","- C41.5 H72 Cl Mo3 N2 S22 -","- C166 H288 Cl4 Mo12 N8 S88 -","4","1","","Rosa Llusar; Santiago Uriel; Cristian Vicent; Juan M. Clemente-Juan; Eugenio Coronado; Carlos J. Gómez-García; Benoit Braïda; Enric Canadell","Single-Component Magnetic Conductors Based on Mo3S7 Trinuclear Clusters with Outer Dithiolate Ligands","Journal of the American Chemical Society","2004","126","","12076","12083","10.1021/ja0474244","","","0.71073","MoKα","","0.1328","0.0619","","","0.1318","0.1604","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112968","19.439","0.003","19.439","0.003","6.5573","0.0019","90","","90","","120","","2145.9","0.8","233","2","476","2","","","","","","","","3","P -3","-P 3","147","","","","- C9 Mo3 S22 -","- C9 Mo3 S22 -","- C18 Mo6 S44 -","2","0.333333","","Rosa Llusar; Santiago Uriel; Cristian Vicent; Juan M. Clemente-Juan; Eugenio Coronado; Carlos J. Gómez-García; Benoit Braïda; Enric Canadell","Single-Component Magnetic Conductors Based on Mo3S7 Trinuclear Clusters with Outer Dithiolate Ligands","Journal of the American Chemical Society","2004","126","","12076","12083","10.1021/ja0474244","","","0.71073","MoKα","","0.1189","0.0824","","","0.2412","0.2688","","","","","","1.092","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112969","27.12","0.003","12.5509","0.0012","25.193","0.003","90","","118.94","0.001","90","","7504.4","1.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- K6 P5 S20 Yb3 -","- K6 P5 S20 Yb3 -","- K48 P40 S160 Yb24 -","8","1","","Jennifer A. Aitken; Mercouri G. Kanatzidis","Interwoven Pair of Open Frameworks in the Thiosphosphate K6Yb3(PS4)5","Journal of the American Chemical Society","2004","126","","11780","11781","10.1021/ja0474648","","","0.71073","MoKα","","0.1381","0.0676","","","0.1666","0.1894","","","","","","1.067","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112970","12.113","0.008","8.758","0.007","19.98","0.02","90","","97.51","0.04","90","","2101","3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","{Me2NN]Ni(CH2CH3)","","","- C23 H30 N2 Ni -","- C23 H30 N2 Ni -","- C92 H120 N8 Ni4 -","4","1","","Elzbieta Kogut; Alexander Zeller; Timothy H. Warren; Thomas Strassner","Structure and Dynamics of Neutral β-H Agostic Nickel Alkyls: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","11984","11994","10.1021/ja0477221","","","0.71073","MoKα","","0.1029","0.0496","","","0.1138","0.1273","","","","","","0.947","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112971","13.7","0.008","12.566","0.006","14.086","0.008","90","","116.2","0.014","90","","2176","2","","","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","{Me2NN]Ni(C3H7)","","","- C24 H32 N2 Ni -","- C24 H32 N2 Ni -","- C96 H128 N8 Ni4 -","4","1","","Elzbieta Kogut; Alexander Zeller; Timothy H. Warren; Thomas Strassner","Structure and Dynamics of Neutral β-H Agostic Nickel Alkyls: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","11984","11994","10.1021/ja0477221","","","0.71073","MoKα","","0.1057","0.0429","","","0.0885","0.0962","","","","","","0.808","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112972","9.695","0.001","26.7","0.003","8.864","0.001","90","","90","","90","","2294.5","0.4","173","","173","","","","","","","","?","6","P c c n","-P 2ab 2ac","56","","","","- C10 H12 Fe O4 P Zn0.5 -","- C10 H12 Fe O4 P Zn0.5 -","- C80 H96 Fe8 O32 P8 Zn4 -","8","1","","Olivier Oms; Jean Le Bideau; Fabrice Leroux; Arie van der Lee; Dominique Leclercq; André Vioux","Mixed 1D-2D Inorganic Polymeric Zinc Ferrocenylphosphonate: Crystal Structure and Electrochemical Study","Journal of the American Chemical Society","2004","126","","12090","12096","10.1021/ja049457p","","","0.71073","MoKα","","0.1969","0.0385","","0.0625","0.0419","0.0419","","","","","","1.1356","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112973","28.9132","0.0007","7.8898","0.0002","9.5349","0.0002","90","","90","","90","","2175.1","0.09","100","","100","","","","","","","","see paper","4","P n a 21","P 2c -2n","33","","","","- C28 H31 Nd O -","- C28 H31 Nd O -","- C112 H124 Nd4 O4 -","4","1","","Evgueni Kirillov; Christian W. Lehmann; Abbas Razavi; Jean-François Carpentier","Highly Syndiospecific Polymerization of Styrene Catalyzed by Allyl Lanthanide Complexes","Journal of the American Chemical Society","2004","126","","12240","12241","10.1021/ja0455695","","","0.71073","MoKα","","0.0779","0.0503","","","0.1074","0.1362","","","","","","1.144","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112974","7.4661","0.0012","11.4751","0.0017","28.238","0.004","90","","90","","90","","2419.3","0.6","115","2","115","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N3 -","- C30 H37 N3 -","- C120 H148 N12 -","4","1","","Steven A. Raw; Richard J. K. Taylor","Cascade Reactions of Substituted 1,2,4-Triazines: Rapid Access to Nitrogen-Containing Polycycles","Journal of the American Chemical Society","2004","126","","12260","12261","10.1021/ja045780g","","","0.71073","MoKα","","0.051","0.0351","","","0.0745","0.0807","","","","","","1","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112975","10.1626","0.0009","21.9774","0.0019","34.178","0.003","90","","90","","90","","7633.6","1.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-1-tert-Butyldiphenylsilyloxy-3-(3'-methyl-3'H-imidazol-4'-yl)- 2-(2"",4"",6""-triisopropylbenzenesulfonylamino)propane","","- C38 H53 N3 O3 S Si -","- C38 H53 N3 O3 S Si -","- C304 H424 N24 O24 S8 Si8 -","8","2","","Kazuaki Ishihara; Yuji Kosugi; Matsujiro Akakura","Rational Design of anl-Histidine-Derived Minimal Artificial Acylase for the Kinetic Resolution of Racemic Alcohols","Journal of the American Chemical Society","2004","126","","12212","12213","10.1021/ja045850j","","","0.71073","MoKα","","0.0878","0.0627","","","0.1565","0.1716","","","","","","1.079","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112976","12.8098","0.0007","28.259","0.002","19.154","0.001","90","","103.45","0.001","90","","6743.4","0.7","100","1","100","1","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H65 B F24 N2 O2 Pd -","- C66 H65 B F24 N2 O2 Pd -","- C264 H260 B4 F96 N8 O8 Pd4 -","4","1","","Weidong Li; Xiaochun Zhang; Auke Meetsma; Bart Hessen","Palladium-Catalyzed Copolymerization of Ethene with Acrolein Dimethyl Acetal: Catalyst Action and Deactivation","Journal of the American Chemical Society","2004","126","","12246","12247","10.1021/ja045948y","","","0.71073","MoKα","","0.1071","0.0726","","","0.1866","0.2107","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112977","21.9494","0.0009","12.8691","0.0005","25.207","0.001","90","","115.522","0.001","90","","6425.4","0.4","100","1","100","1","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H59 B F24 N2 O Pd -","- C64 H59 B F24 N2 O Pd -","- C256 H236 B4 F96 N8 O4 Pd4 -","4","0.5","","Weidong Li; Xiaochun Zhang; Auke Meetsma; Bart Hessen","Palladium-Catalyzed Copolymerization of Ethene with Acrolein Dimethyl Acetal: Catalyst Action and Deactivation","Journal of the American Chemical Society","2004","126","","12246","12247","10.1021/ja045948y","","","0.71073","MoKα","","0.0822","0.0675","","","0.1757","0.1874","","","","","","1.036","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112978","12.6191","0.0005","14.6417","0.0006","18.3813","0.0008","108.59","0.001","95.619","0.001","94.228","0.001","3183.7","0.2","100","1","100","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C65.5 H63 B F24 N2 Pd -","- C63 H57 B F24 N2 Pd -","- C126 H114 B2 F48 N4 Pd2 -","2","1","","Weidong Li; Xiaochun Zhang; Auke Meetsma; Bart Hessen","Palladium-Catalyzed Copolymerization of Ethene with Acrolein Dimethyl Acetal: Catalyst Action and Deactivation","Journal of the American Chemical Society","2004","126","","12246","12247","10.1021/ja045948y","","","0.71073","MoKα","","0.0682","0.0554","","","0.155","0.1609","","","","","","1.101","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112979","12.5293","0.0008","15.592","0.001","18.468","0.001","77.686","0.001","70.452","0.001","82.915","0.001","3316.4","0.4","100","1","100","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C66 H65 B F24 N2 O Pd -","- C66 H65 B F24.03 N2 O Pd -","- C132 H130 B2 F48.06 N4 O2 Pd2 -","2","1","","Weidong Li; Xiaochun Zhang; Auke Meetsma; Bart Hessen","Palladium-Catalyzed Copolymerization of Ethene with Acrolein Dimethyl Acetal: Catalyst Action and Deactivation","Journal of the American Chemical Society","2004","126","","12246","12247","10.1021/ja045948y","","","0.71073","MoKα","","0.1599","0.0786","","","0.2001","0.2318","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112980","23.374","0.002","19.273","0.002","25.05","0.002","90","","90","","90","","11284.7","1.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54.5 H82.5 Cl1.5 F N9 O7 -","- C52 H78 F N9 O6 -","- C416 H624 F8 N72 O48 -","8","1","","Sung Ok Kang; David VanderVelde; Douglas Powell; Kristin Bowman-James","Fluoride-Facilitated Deuterium Exchange from DMSO-d6 to Polyamide-Based Cryptands","Journal of the American Chemical Society","2004","126","","12272","12273","10.1021/ja046078n","","","0.71073","MoKα","","0.0644","0.0533","","","0.1468","0.1543","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112981","18.37","0.03","16.2","0.02","25.17","0.04","90","","113.52","0.09","90","","6868","18","123.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H15 Cl7 Cu2 F30 N6 O1.62 -","- C68 H15 Cl7 Cu2 F30 N6 O1.62 -","- C272 H60 Cl28 Cu8 F120 N24 O6.48 -","4","0.5","","Soji Shimizu; Venkataramanarao G. Anand; Ryuichiro Taniguchi; Ko Furukawa; Tatsuhisa Kato; Toshihiko Yokoyama; Atsuhiro Osuka","Biscopper Complexes of meso-Aryl-Substituted Hexaphyrin: Gable Structures and Varying Antiferromagnetic Coupling","Journal of the American Chemical Society","2004","126","","12280","12281","10.1021/ja046102x","","","0.7107","MoKα","","","0.095","","","","0.135","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112982","13.979","0.003","15.646","0.003","15.932","0.004","78.753","0.004","73.062","0.004","74.027","0.004","3179.6","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H12 Cl2 Cu2 F30 N6 O4 -","- C67 H12 Cl2 Cu2 F30 N6 O4 -","- C134 H24 Cl4 Cu4 F60 N12 O8 -","2","1","","Soji Shimizu; Venkataramanarao G. Anand; Ryuichiro Taniguchi; Ko Furukawa; Tatsuhisa Kato; Toshihiko Yokoyama; Atsuhiro Osuka","Biscopper Complexes of meso-Aryl-Substituted Hexaphyrin: Gable Structures and Varying Antiferromagnetic Coupling","Journal of the American Chemical Society","2004","126","","12280","12281","10.1021/ja046102x","","","0.71069","MoKα","","0.2275","0.1043","","","0.2147","0.2652","","","","","","1.097","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112983","22.598","0.01","13.063","0.005","25.05","0.011","90","","109.73","0.03","90","","6961","5","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 Cl6 Cu2 F42 N6 O -","- C69 Cl6 Cu2 F42 N6 O -","- C276 Cl24 Cu8 F168 N24 O4 -","4","1","","Soji Shimizu; Venkataramanarao G. Anand; Ryuichiro Taniguchi; Ko Furukawa; Tatsuhisa Kato; Toshihiko Yokoyama; Atsuhiro Osuka","Biscopper Complexes of meso-Aryl-Substituted Hexaphyrin: Gable Structures and Varying Antiferromagnetic Coupling","Journal of the American Chemical Society","2004","126","","12280","12281","10.1021/ja046102x","","","0.71075","MoKα","","0.1132","0.0921","","","0.2885","0.3097","","","","","","1.269","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112984","13.964","0.006","16.264","0.007","16.295","0.008","86.66","0.04","74.89","0.04","84.63","0.04","3555","3","123.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C69 H3 Cl5 Cu2 F42 N6 O3 -","- C69 H3 Cl5 Cu2 F42 N6 O3 -","- C138 H6 Cl10 Cu4 F84 N12 O6 -","2","1","","Soji Shimizu; Venkataramanarao G. Anand; Ryuichiro Taniguchi; Ko Furukawa; Tatsuhisa Kato; Toshihiko Yokoyama; Atsuhiro Osuka","Biscopper Complexes of meso-Aryl-Substituted Hexaphyrin: Gable Structures and Varying Antiferromagnetic Coupling","Journal of the American Chemical Society","2004","126","","12280","12281","10.1021/ja046102x","","","0.7107","MoKα","","","0.065","","","","0.076","","","","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112985","9.961","0.004","8.022","0.003","12.274","0.005","90","","106.993","0.006","90","","938","0.6","250","0.2","250","0.2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","diphenyl ether","diphenyl ether","","- C12 H10 O -","- C12 H10 O -","- C48 H40 O4 -","4","1","","Angshuman R. Choudhury; Kabirul Islam; Michael T. Kirchner; Goverdhan Mehta; Tayur N. Guru Row","In Situ Cryocrystallization of Diphenyl Ether: C-H...π Mediated Polymorphic Forms","Journal of the American Chemical Society","2004","126","","12274","12275","10.1021/ja046134k","","","0.71073","MoKα","","0.0677","0.0538","","","0.1164","0.1229","","","","","","1.171","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112986","5.7405","0.0018","7.694","0.002","21.165","0.006","90","","90","","90","","934.8","0.5","240","0.2","240","0.2","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","Diphenyl ether","Diphenyl ether","","- C12 H10 O -","- C12 H10 O -","- C48 H40 O4 -","4","1","","Angshuman R. Choudhury; Kabirul Islam; Michael T. Kirchner; Goverdhan Mehta; Tayur N. Guru Row","In Situ Cryocrystallization of Diphenyl Ether: C-H...π Mediated Polymorphic Forms","Journal of the American Chemical Society","2004","126","","12274","12275","10.1021/ja046134k","","","0.71073","MoKα","","0.0356","0.0318","","","0.077","0.0793","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112987","4.3898","0.0018","5.694","0.002","9.023","0.004","105.192","0.006","93.81","0.006","111.102","0.006","199.79","0.14","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- B6 Cr H16 -","- B6 Cr H16 -","- B6 Cr H16 -","1","0.5","","Dean M. Goedde; Gregory S. Girolami","A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes","Journal of the American Chemical Society","2004","126","","12230","12231","10.1021/ja046906c","","","0.71073","MoKα","","0.0638","0.0514","","","0.1139","0.1198","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112988","9.2238","0.0016","8.7248","0.0015","11.0292","0.0019","90","","102.597","0.003","90","","866.2","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H32 B6 Cr O2 -","- C8 H32 B6 Cr O2 -","- C16 H64 B12 Cr2 O4 -","2","0.5","","Dean M. Goedde; Gregory S. Girolami","A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes","Journal of the American Chemical Society","2004","126","","12230","12231","10.1021/ja046906c","","","0.71073","MoKα","","0.0588","0.0421","","","0.1163","0.1254","","","","","","1.072","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112989","16.404","0.003","13.744","0.003","16.728","0.003","90","","90","","90","","3771.4","1.3","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H34 B6 Cr P2 -","- C6 H34 B6 Cr P2 -","- C48 H272 B48 Cr8 P16 -","8","1","","Dean M. Goedde; Gregory S. Girolami","A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes","Journal of the American Chemical Society","2004","126","","12230","12231","10.1021/ja046906c","","","0.71073","MoKα","","0.0735","0.0349","","","0.074","0.0842","","","","","","0.936","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112990","7.0764","0.0017","16.985","0.004","7.985","0.002","90","","110.589","0.004","90","","898.4","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H36 B6 Cr O2 -","- C8 H36 B6 Cr O2 -","- C16 H72 B12 Cr2 O4 -","2","0.5","","Dean M. Goedde; Gregory S. Girolami","A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes","Journal of the American Chemical Society","2004","126","","12230","12231","10.1021/ja046906c","","","0.71073","MoKα","","0.0871","0.0401","","","0.0733","0.0841","","","","","","0.924","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112991","11.106","0.001","14.117","0.001","13.274","0.001","90","","98.934","0.003","90","","2055.9","0.3","90","1","90","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-Pt(propylene)Cl2PPh3","cis-PtCl2(PPh3)(C3H6)","","- C21 H21 Cl2 P Pt -","- C21 H21 Cl2 P Pt -","- C84 H84 Cl8 P4 Pt4 -","4","1","","Ruslan Pryadun; Dinesh Sukumaran; Robert Bogadi; Jim D. Atwood","Amine Attack on Coordinated Alkenes: An Interconversion from Anti-Markovnikoff to Markovnikoff Products","Journal of the American Chemical Society","2004","126","","12414","12420","10.1021/ja0469939","","","0.71073","MoKα","","0.028","0.022","","","0.0507","0.0529","","","","","","1.031","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112992","8.8157","0.0004","9.5186","0.0004","14.6356","0.0006","90.426","0.001","106.265","0.001","102.784","0.001","1146.58","0.09","90","1","90","1","","","","","","","","5","P -1","-P 1","2","cis-PtCl2(PPh3)(C6H12)","cis-PtCl2(PPh3)(C6H12)","","- C24 H27 Cl2 P Pt -","- C24 H27 Cl2 P Pt -","- C48 H54 Cl4 P2 Pt2 -","2","1","","Ruslan Pryadun; Dinesh Sukumaran; Robert Bogadi; Jim D. Atwood","Amine Attack on Coordinated Alkenes: An Interconversion from Anti-Markovnikoff to Markovnikoff Products","Journal of the American Chemical Society","2004","126","","12414","12420","10.1021/ja0469939","","","0.71073","MoKα","","0.0338","0.0307","","","0.0712","0.0729","","","","","","1.039","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112993","14.0345","0.0009","15.9137","0.001","17.6318","0.0011","90","","96.2392","0.0045","90","","3914.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H65 F14 N7 O7 Si2 -","- C24 H61 F14 N7 O7 Si2 -","- C96 H244 F56 N28 O28 Si8 -","4","1","","Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed","A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions","Journal of the American Chemical Society","2004","126","","12395","12402","10.1021/ja047070g","","","0.71073","MoKα","","0.1252","0.055","","","0.119","0.1405","","","","","","1.006","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112994","11.4033","0.0012","11.5662","0.0012","21.966","0.002","85.67","0.002","83.181","0.002","61.557","0.002","2528.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H51 I14 N7 -","- C24 H51 I14 N7 -","- C48 H102 I28 N14 -","2","1","","Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed","A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions","Journal of the American Chemical Society","2004","126","","12395","12402","10.1021/ja047070g","","","0.71073","MoKα","","0.0849","0.0756","","","0.189","0.1956","","","","","","1.083","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112995","11.2494","0.0008","16.2958","0.0012","21.1945","0.0019","78.3122","0.0027","85.1281","0.0032","82.6143","0.004","3766.3","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H120 Cl12 N14 O9 -","- C48 H101 Cl12 N14 O9 -","- C96 H202 Cl24 N28 O18 -","2","1","","Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed","A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions","Journal of the American Chemical Society","2004","126","","12395","12402","10.1021/ja047070g","","","0.71073","MoKα","","0.2643","0.142","","","0.3129","0.3553","","","","","","1.57","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112996","11.2538","0.0004","18.0137","0.0008","20.9088","0.0008","74.548","0.003","82.221","0.002","73.058","0.003","3900.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H116 Br14 N14 O6 -","- C48 H104 Br14 N14 O6 -","- C96 H208 Br28 N28 O12 -","2","1","","Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed","A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions","Journal of the American Chemical Society","2004","126","","12395","12402","10.1021/ja047070g","","","0.71073","MoKα","","0.219","0.1031","","","0.2198","0.2753","","","","","","1.231","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112997","16.3404","0.0023","16.3404","0.0023","28.0178","0.0027","90","","90","","120","","6478.7","1.4","120","2","120","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C69 H87 Cl6 N7 O12 S6 -","- C69 H81 Cl6 N7 O12 S6 -","- C207 H243 Cl18 N21 O36 S18 -","3","0.333333","","Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed","A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions","Journal of the American Chemical Society","2004","126","","12395","12402","10.1021/ja047070g","","","0.71073","MoKα","","0.2773","0.2118","","","0.3166","0.3388","","","","","","1.498","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112998","8.974","0.002","12.086","0.002","17.068","0.003","68.88","0.05","80.04","0.05","79.18","0.05","1684.9","0.8","100","2","100","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","mesomorphic phenanthroline derivative","","","- C40 H36 N4 O8 -","- C40 H36 N4 O8 -","- C80 H72 N8 O16 -","2","1","","Raymond Ziessel; Guillaume Pickaert; Franck Camerel; Bertrand Donnio; Daniel Guillon; Michèle Cesario; Thierry Prangé","Tuning Organogels and Mesophases with Phenanthroline Ligands and Their Copper Complexes by Inter- to Intramolecular Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","12403","12413","10.1021/ja047091a","","","0.966","synchrotron","","0.0564","0.0556","","0.1495","","0.1465","","","1.032","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112999","15.89","0.003","16.327","0.003","17.777","0.003","79.5","0.05","72.02","0.05","73.9","0.05","4191","2","450","2","177","2","","","","","","","synthetic","6","P -1","-P 1","2","metallomesogen","","","- C88 H84 Cl Cu N12 O20 -","- C88 H84 Cl Cu N12 O20 -","- C176 H168 Cl2 Cu2 N24 O40 -","2","1","","Raymond Ziessel; Guillaume Pickaert; Franck Camerel; Bertrand Donnio; Daniel Guillon; Michèle Cesario; Thierry Prangé","Tuning Organogels and Mesophases with Phenanthroline Ligands and Their Copper Complexes by Inter- to Intramolecular Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","12403","12413","10.1021/ja047091a","","","0.982","synchrotron","","0.1121","0.0992","","0.2659","","0.2417","","","1.089","","","1.135","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4113000","9.2876","0.0009","19.4342","0.0019","13.2672","0.0014","90","","100.707","0.002","90","","2353","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H23 B11 Br6 -","- C9 H23 B11 Br6 -","- C36 H92 B44 Br24 -","4","1","","Tsuyoshi Kato; Evgenii Stoyanov; Jens Geier; Hansjörg Grützmacher; Christopher A. Reed","Alkylating Agents Stronger than Alkyl Triflates","Journal of the American Chemical Society","2004","126","","12451","12457","10.1021/ja047357d","","","0.71073","MoKα","","0.0496","0.0323","","","0.0716","0.0775","","","","","","1.035","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113001","15.099","0.001","15.099","0.001","14.607","0.001","90","","90","","90","","3330.1","0.4","296.2","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H44 I N8 O14 Rh4 -","- C16 H40 I N8 O14 Rh4 -","- C64 H160 I4 N32 O56 Rh16 -","4","0.25","","Yasuhiro Fuma; Masahiro Ebihara; Shoichi Kutsumizu; Takashi Kawamura","A Diamondoid Network of Tetrakis(acetamidato)dirhodium in Mixed Oxidation States Linked by μ4-Iodide Having a 105 Enhancement of Its Electrical Conductivity by Water Molecules of Hydration","Journal of the American Chemical Society","2004","126","","12238","12239","10.1021/ja047421r","","","0.7107","MoKα","","","0.0279","","","","0.0547","","","","","","0.586","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113002","13.811","0.002","7.1564","0.0011","15.092","0.002","90","","90","","90","","1491.6","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Jun-Li Hou; Xue-Bin Shao; Guang-Ju Chen; Yan-Xia Zhou; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonded Oligohydrazide Foldamers and Their Recognition for Saccharides","Journal of the American Chemical Society","2004","126","","12386","12394","10.1021/ja047436p","","","0.71073","MoKα","","0.1227","0.0482","","","0.0818","0.0954","","","","","","0.79","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113003","7.5458","0.0007","20.8818","0.0019","15.2117","0.0014","90","","99.233","0.003","90","","2365.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N4 O7 -","- C25 H24 N4 O7 -","- C100 H96 N16 O28 -","4","1","","Jun-Li Hou; Xue-Bin Shao; Guang-Ju Chen; Yan-Xia Zhou; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonded Oligohydrazide Foldamers and Their Recognition for Saccharides","Journal of the American Chemical Society","2004","126","","12386","12394","10.1021/ja047436p","","","0.71073","MoKα","","0.2459","0.0681","","","0.0905","0.1378","","","","","","0.831","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113004","13.6912","0.0017","14.5859","0.0018","22.778","0.003","90","","98.165","0.002","90","","4502.6","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 N4 O12 -","- C44 H58 N4 O12 -","- C176 H232 N16 O48 -","4","1","","Jun-Li Hou; Xue-Bin Shao; Guang-Ju Chen; Yan-Xia Zhou; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonded Oligohydrazide Foldamers and Their Recognition for Saccharides","Journal of the American Chemical Society","2004","126","","12386","12394","10.1021/ja047436p","","","0.71073","MoKα","","0.2541","0.0676","","","0.1673","0.21","","","","","","0.707","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113005","39.105","0.008","5.615","0.001","16.609","0.003","90","","97.007","0.005","90","","3619.7","1.2","120","","120","","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl-3,6-anhydro-2,4-di-O-benzyl-α-D-glucopyranoside","","- C21 H24 O5 -","- C21 H24 O5 -","- C168 H192 O40 -","8","2","","Ciaran McDonnell; Oscar López; Paul Murphy; José G. Fernández Bolaños; Rita Hazell; Mikael Bols","Conformational Effects on Glycoside Reactivity: Study of the High Reactive Conformer of Glucose","Journal of the American Chemical Society","2004","126","","12374","12385","10.1021/ja047476t","","","0.71073","MoKα","","","0.035","","","","0.036","","","","","","0.92","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113006","13.295","0.002","5.6635","0.0008","14.117","0.002","90","","99.446","0.005","90","","1048.5","0.3","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","Pent-4'-enyl-3,6-anhydro-2,4-di-O-benzyl-β-D-glucopyranoside","","- C25 H30 O5 -","- C25 H30 O5 -","- C50 H60 O10 -","2","1","","Ciaran McDonnell; Oscar López; Paul Murphy; José G. Fernández Bolaños; Rita Hazell; Mikael Bols","Conformational Effects on Glycoside Reactivity: Study of the High Reactive Conformer of Glucose","Journal of the American Chemical Society","2004","126","","12374","12385","10.1021/ja047476t","","","0.71073","MoKα","","","0.044","","","","0.041","","","","","","0.89","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113007","10.168","0.003","8.673","0.003","23.85","0.007","90","","100.382","0.005","90","","2068.8","1.1","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl-O-(3,6-anhydro-2,4-di-O-benzyl-β-D-glucopyranoside)-(1-6)-2,3,4-tri -O-benzyl-α-D-glucopyranoside","","- C48 H52 O10 -","- C48 H52 O10 -","- C96 H104 O20 -","2","1","","Ciaran McDonnell; Oscar López; Paul Murphy; José G. Fernández Bolaños; Rita Hazell; Mikael Bols","Conformational Effects on Glycoside Reactivity: Study of the High Reactive Conformer of Glucose","Journal of the American Chemical Society","2004","126","","12374","12385","10.1021/ja047476t","","","0.71073","MoKα","","","0.066","","","","0.068","","","","","","0.99","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113008","10.3733","0.0011","26.427","0.003","5.8341","0.0006","90","","90","","90","","1599.3","0.3","294","2","294","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H16 N2 -","- C21 H16 N2 -","- C84 H64 N8 -","4","1","","Jye-Shane Yang; Kang-Ling Liau; Chin-Min Wang; Chung-Yu Hwang","Substituent-Dependent Photoinduced Intramolecular Charge Transfer in N-Aryl-Substituted trans-4-Aminostilbenes","Journal of the American Chemical Society","2004","126","","12325","12335","10.1021/ja047604d","","","0.71073","MoKα","","0.1056","0.0442","","","0.0732","0.0856","","","","","","0.9","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113009","9.6247","0.0007","9.7637","0.0007","18.7912","0.0014","85.592","0.001","81.797","0.001","74.061","0.001","1679.3","0.2","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","2","","Jye-Shane Yang; Kang-Ling Liau; Chin-Min Wang; Chung-Yu Hwang","Substituent-Dependent Photoinduced Intramolecular Charge Transfer in N-Aryl-Substituted trans-4-Aminostilbenes","Journal of the American Chemical Society","2004","126","","12325","12335","10.1021/ja047604d","","","0.71073","MoKα","","0.201","0.1328","","","0.2251","0.2533","","","","","","1.22","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113010","38.704","0.004","7.4399","0.0008","5.9673","0.0006","90","","92.97","0.002","90","","1716","0.3","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H19 N O2 -","- C22.008 H19 N O2 -","- C88.032 H76 N4 O8 -","4","1","","Jye-Shane Yang; Kang-Ling Liau; Chin-Min Wang; Chung-Yu Hwang","Substituent-Dependent Photoinduced Intramolecular Charge Transfer in N-Aryl-Substituted trans-4-Aminostilbenes","Journal of the American Chemical Society","2004","126","","12325","12335","10.1021/ja047604d","","","0.71073","MoKα","","0.0511","0.0396","","","0.1094","0.1269","","","","","","1.08","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113011","12.0307","0.0007","12.9556","0.0007","13.9502","0.0008","90","","90","","90","","2174.3","0.2","156.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl2 N2 O2 Rh -","- C20 H29 Cl2 N2 O2 Rh -","- C80 H116 Cl8 N8 O8 Rh4 -","4","1","","Jennifer R. Krumper; Michael Gerisch; Alessandra Magistrato; Ursula Rothlisberger; Robert G. Bergman; T. Don Tilley","Unusual Ar-H/Rh-H JHH NMR Coupling in Complexes of Rhodium(III): Experimental Evidence and Theoretical Support for an η1-Arene Structure","Journal of the American Chemical Society","2004","126","","12492","12502","10.1021/ja047665b","","","0.7107","MoKα","","","0.0204","","","","0.0219","","","","","","0.795","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113012","9.0724","0.0007","12.273","0.001","9.8953","0.0008","90","","95.35","0.001","90","","1097","0.15","131.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H29 Cl2 N2 O2 Rh -","- C20 H28 Cl2 N2 O2 Rh -","- C40 H56 Cl4 N4 O4 Rh2 -","2","1","","Jennifer R. Krumper; Michael Gerisch; Alessandra Magistrato; Ursula Rothlisberger; Robert G. Bergman; T. Don Tilley","Unusual Ar-H/Rh-H JHH NMR Coupling in Complexes of Rhodium(III): Experimental Evidence and Theoretical Support for an η1-Arene Structure","Journal of the American Chemical Society","2004","126","","12492","12502","10.1021/ja047665b","","","0.7107","MoKα","","","0.0376","","","","0.044","","","","","","1.303","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113013","20.69","0.003","8.419","0.001","16.06","0.002","90","","106.887","0.002","90","","2676.8","0.6","146.2","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H41 Cl2 N2 O2 Rh -","- C25.5 H37 Cl2 N2 O2 Rh -","- C102 H148 Cl8 N8 O8 Rh4 -","4","1","","Jennifer R. Krumper; Michael Gerisch; Alessandra Magistrato; Ursula Rothlisberger; Robert G. Bergman; T. Don Tilley","Unusual Ar-H/Rh-H JHH NMR Coupling in Complexes of Rhodium(III): Experimental Evidence and Theoretical Support for an η1-Arene Structure","Journal of the American Chemical Society","2004","126","","12492","12502","10.1021/ja047665b","","","0.7107","MoKα","","","0","","","","0.03","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113014","11.931","0.003","11.152","0.002","12.3422","0.0013","90","","90","","90","","1642.2","0.5","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl2 -","- C20 H24 Cl2 -","- C80 H96 Cl8 -","4","0.5","","Aswini K. Dash; Tryg R. Jensen; Charlotte L. Stern; Tobin J. Marks","Frustrated β-Chloride Elimination. Selective Arene Alkylation by α-Chloronorbornene Catalyzed by Electrophilic Metallocenium Ion Pairs","Journal of the American Chemical Society","2004","126","","12528","12540","10.1021/ja047828w","","","0.71073","MoKα","","0.0438","0.0381","","","0.1071","0.1134","","","","","","1.061","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113015","17.53","0.03","17.53","0.03","8.28","0.01","90","","90","","90","","2544","7","107.1","","","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C20 H32 Br3 N2 O4 Sc -","- C20 H26 Br3 N2 O4 Sc -","- C80 H104 Br12 N8 O16 Sc4 -","4","0.5","","Shunpei Ishikawa; Tomoaki Hamada; Kei Manabe; Shū Kobayashi","Catalytic Asymmetric Hydroxymethylation of Silicon Enolates Using an Aqueous Solution of Formaldehyde with a Chiral Scandium Complex","Journal of the American Chemical Society","2004","126","","12236","12237","10.1021/ja047896i","","","0.7107","MoKα","","","0.036","","","","0.103","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113016","15.195","0.003","12.41","0.003","12.884","0.003","90","","90","","90","","2429.5","0.9","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H18 N4 O6 -","- C30 H18 N4 O6 -","- C120 H72 N16 O24 -","4","0.5","","Xin Zhang; Zi-Chen Li; Kai-Bo Li; Fu-Sheng Du; Fu-Mian Li","Multi-Maleimides Bearing Electron-Donating Chromophores: Reversible Fluorescence and Aggregation Behavior","Journal of the American Chemical Society","2004","126","","12200","12201","10.1021/ja0487527","","","0.71073","MoKα","","0.0944","0.0372","","","0.0494","0.0531","","","","","","0.937","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113017","9.7993","0.0002","11.1782","0.0002","11.544","0.0003","65.8541","0.0009","66.0412","0.0009","84.3268","0.0009","1051.02","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N3 O4 -","- C26 H17 N3 O4 -","- C52 H34 N6 O8 -","2","1","","Xin Zhang; Zi-Chen Li; Kai-Bo Li; Fu-Sheng Du; Fu-Mian Li","Multi-Maleimides Bearing Electron-Donating Chromophores: Reversible Fluorescence and Aggregation Behavior","Journal of the American Chemical Society","2004","126","","12200","12201","10.1021/ja0487527","","","0.71073","MoKα","","0.0879","0.0418","","","0.1","0.1111","","","","","","0.985","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113018","9.9786","0.0005","11.2659","0.0006","11.726","0.0007","66.493","0.004","64.985","0.003","85.724","0.003","1088.38","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 O4 -","- C26 H21 N3 O4 -","- C52 H42 N6 O8 -","2","1","","Xin Zhang; Zi-Chen Li; Kai-Bo Li; Fu-Sheng Du; Fu-Mian Li","Multi-Maleimides Bearing Electron-Donating Chromophores: Reversible Fluorescence and Aggregation Behavior","Journal of the American Chemical Society","2004","126","","12200","12201","10.1021/ja0487527","","","0.71073","MoKα","","0.1816","0.0759","","","0.1691","0.2149","","","","","","0.871","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113019","14.892","0.003","12.445","0.003","13.425","0.003","90","","90","","90","","2488.1","1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H24 N4 O6 -","- C30 H24 N4 O6 -","- C120 H96 N16 O24 -","4","0.5","","Xin Zhang; Zi-Chen Li; Kai-Bo Li; Fu-Sheng Du; Fu-Mian Li","Multi-Maleimides Bearing Electron-Donating Chromophores: Reversible Fluorescence and Aggregation Behavior","Journal of the American Chemical Society","2004","126","","12200","12201","10.1021/ja0487527","","","0.71073","MoKα","","0.0858","0.0371","","","0.074","0.0798","","","","","","0.808","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113020","13.0374","0.0006","17.7859","0.0008","21.103","0.001","90","","93.38","0.001","90","","4884.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Na10 O64 Ru W9 Zn4 -","- Na10 O114.46 Ru1.22 W18.758 Zn4 -","- Na20 O228.92 Ru2.44 W37.516 Zn8 -","2","0.5","","Annette R. Howells; Anand Sankarraj; Curtis Shannon","A Diruthenium-Substituted Polyoxometalate as an Electrocatalyst for Oxygen Generation","Journal of the American Chemical Society","2004","126","","12258","12259","10.1021/ja0495821","","","0.71073","MoKα","","0.0475","0.038","","","0.0893","0.0918","","","","","","1.061","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113021","16.517","0.005","6.0509","0.0016","9.311","0.003","90","","94.738","0.005","90","","927.4","0.5","93","1","93","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 N3 O2 -","- C7 H15 N3 O2 -","- C28 H60 N12 O8 -","4","1","","Joseph E. Saavedra; D. Scott Bohle; Kamilah N. Smith; Clifford George; Jeffrey R. Deschamps; Damon Parrish; Joseph Ivanic; Yan-Ni Wang; Michael L. Citro; Larry K. Keefer","Chemistry of the Diazeniumdiolates. O- versus N-Alkylation of the RNH[N(O)NO]- Ion","Journal of the American Chemical Society","2004","126","","12880","12887","10.1021/ja031538i","","","0.71073","MoKα","","0.0858","0.0425","","","0.094","0.1317","","","","","","0.921","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113022","11.491","0.0003","14.915","0.0007","15.127","0.0008","75.323","0.0016","79.813","0.0014","74.796","0.003","2403.22","0.18","130","2","130","2","","","","","","","","4","P -1","-P 1","2","IJR-I-97","IJR-I-97","","- C57 H73 N2 O2 -","- C57 H73 N2 O2 -","- C114 H146 N4 O4 -","2","1","","Ian J. Rhile; James M. Mayer","One-Electron Oxidation of a Hydrogen-Bonded Phenol Occurs by Concerted Proton-Coupled Electron Transfer","Journal of the American Chemical Society","2004","126","","12718","12719","10.1021/ja031583q","","","0.71073","MoKα","","0.1067","0.0585","","","0.1233","0.1414","","","","","","1.003","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113023","8.5795","0.0012","9.5772","0.0014","13.1432","0.0019","103.121","0.002","108.284","0.002","102.713","0.002","947.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N O6 -","- C19 H23 N O6 -","- C38 H46 N2 O12 -","2","1","","Satyamaheshwar Peddibhotla; Jetze J. Tepe","Stereoselective Synthesis of Highly Substituted Δ1-Pyrrolines: exo-Selective 1,3-Dipolar Cycloaddition Reactions with Azlactones","Journal of the American Chemical Society","2004","126","","12776","12777","10.1021/ja046149i","","","0.71073","MoKα","","0.053","0.043","","","0.1189","0.1276","","","","","","1.05","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113024","6.7048","0.0013","13.522","0.003","19.685","0.004","90","","90","","90","","1784.7","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","","Satyamaheshwar Peddibhotla; Jetze J. Tepe","Stereoselective Synthesis of Highly Substituted Δ1-Pyrrolines: exo-Selective 1,3-Dipolar Cycloaddition Reactions with Azlactones","Journal of the American Chemical Society","2004","126","","12776","12777","10.1021/ja046149i","","","0.71073","MoKα","","0.055","0.0383","","","0.1027","0.1149","","","","","","0.833","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4113025","8.9567","0.0018","10.444","0.002","11.475","0.002","99.06","0.03","104.61","0.03","99.54","0.03","1001.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C44 H44 N4 O10 -","2","1","","Satyamaheshwar Peddibhotla; Jetze J. Tepe","Stereoselective Synthesis of Highly Substituted Δ1-Pyrrolines: exo-Selective 1,3-Dipolar Cycloaddition Reactions with Azlactones","Journal of the American Chemical Society","2004","126","","12776","12777","10.1021/ja046149i","","","0.71073","MoKα","","0.0667","0.0422","","","0.1134","0.1264","","","","","","0.823","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113026","12.0473","0.0002","12.7355","0.0004","20.3952","0.0001","76.653","0.008","71.024","0.007","85.812","0.009","2879.21","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H100 P Pd Si6 -","- C49 H93 P Pd Si6 -","- C98 H186 P2 Pd2 Si12 -","2","1","","Mitsuo Kira; Yumiko Sekiguchi; Takeaki Iwamoto; Chizuko Kabuto","14-Electron Disilene Palladium Complex Having Strong π-Complex Character","Journal of the American Chemical Society","2004","126","","12778","12779","10.1021/ja046354y","","","0.7107","MoKα","","0.062","0.0463","","","0.0903","0.0962","","","","","","1.07","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113027","16.051","0.003","10.755","0.002","27.697","0.006","90","","90.38","0.03","90","","4781.2","1.6","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 F18 O6 -","- C54 H24 F18 O6 -","- C216 H96 F72 O24 -","4","1","","Bryan K. Spraul; S. Suresh; Sibylle Glaser; Dvora Perahia; John Ballato; Dennis W. Smith","Perfluorocyclobutyl-Linked Hexa-peri-hexabenzocoronene Networks","Journal of the American Chemical Society","2004","126","","12772","12773","10.1021/ja046855j","","","0.71073","MoKα","","0.1016","0.0758","","","0.2107","0.2374","","","","","","1.019","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113028","12.3741","0.001","48.753","0.004","24.198","0.002","90","","93.262","0.002","90","","14574","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H62 N12 O15.75 Re4 -","- C75 H62 N12 O15.75 Re4 -","- C600 H496 N96 O126 Re32 -","8","2","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71073","MoKα","","0.1801","0.0783","","","0.1222","0.149","","","","","","0.968","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113029","13.83","0.003","13.299","0.003","19.931","0.005","90","","101.335","0.004","90","","3594.3","1.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H14 Cl N6 O6 Re2 -","- C27.5 H14 Cl N6 O6 Re2 -","- C110 H56 Cl4 N24 O24 Re8 -","4","1","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71073","MoKα","","0.0855","0.0527","","","0.1426","0.1654","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113030","30.8925","0.0011","30.8925","0.0011","26.6992","0.0013","90","","90","","90","","25480.3","1.8","153","2","153","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C64 H32 N20 O12 Re4 -","- C64 H32 N20 O12 Re4 -","- C512 H256 N160 O96 Re32 -","8","0.5","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71069","MoKα","","0.1555","0.0655","","","0.2085","0.2873","","","","","","1.027","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113031","12.401","0.004","11.578","0.003","26.649","0.008","90","","97.184","0.005","90","","3796.2","1.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H47 Cl4 N12 O14 Re4 -","- C78 H48 Cl4 N12 O14 Re4 -","- C156 H96 Cl8 N24 O28 Re8 -","2","0.5","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71073","MoKα","","0.0811","0.0496","","","0.1236","0.1451","","","","","","1.065","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113032","10.9266","0.0019","22.014","0.004","29.322","0.005","90","","91.42","0.003","90","","7051","2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C135.5 H36 N16 O20 Re4 -","- C135.57 H36 N16 O20 Re4 -","- C271.14 H72 N32 O40 Re8 -","2","0.5","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71069","MoKα","","0.0884","0.0508","","","0.1376","0.1604","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113033","11","0.003","22.681","0.007","19.552","0.006","90","","94.151","0.005","90","","4865","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H52 N16 O24 Re4 S2 -","- C94.15 H52 N16 O24.15 Re4 S2 -","- C188.3 H104 N32 O48.3 Re8 S4 -","2","0.5","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71073","MoKα","","0.1538","0.064","","","0.1535","0.1795","","","","","","0.875","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113034","9.321","0.002","10.154","0.002","14.304","0.002","71.15","0.03","80.85","0.03","73.12","0.03","1222.8","0.5","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Cl3 N2 S2 -","- C25 H21 Cl3 N2 S2 -","- C50 H42 Cl6 N4 S4 -","2","1","","Vivian Wing-Wah Yam; Chi-Chiu Ko; Nianyong Zhu","Photochromic and Luminescence Switching Properties of a Versatile Diarylethene-Containing 1,10-Phenanthroline Ligand and Its Rhenium(I) Complex","Journal of the American Chemical Society","2004","126","","12734","12735","10.1021/ja047446q","","","0.71069","MoKα","","0.0568","0.0462","","","0.1406","0.146","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113035","17.061","0.0015","11.299","0.001","8.3845","0.0007","90","","110.078","0.001","90","","1518.1","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H5 Cu N2 -","- C4 H5 Cu N2 -","- C48 H60 Cu12 N24 -","12","1.5","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0349","0.0314","","","0.0808","0.0829","","","","","","1.061","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113036","20.76","0.0014","10.8497","0.0007","21.0042","0.0014","90","","90","","90","","4731","0.5","123","2","123","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C39 H48 Cu8 N16 -","- C39 H48 Cu8 N16 -","- C156 H192 Cu32 N64 -","4","0.5","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0531","0.0431","","","0.0936","0.0978","","","","","","1.035","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113037","14.4446","0.0011","27.559","0.002","11.9914","0.0009","90","","126.775","0.001","90","","3823.6","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C56 H70 Cu10 N20 -","- C56 H70 Cu10 N20 -","- C112 H140 Cu20 N40 -","2","0.25","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.102","0.0592","","","0.1596","0.1869","","","","","","0.994","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113038","20.8478","0.0014","10.8591","0.0007","20.9398","0.0014","90","","90","","90","","4740.5","0.5","123","2","123","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C38 H46 Cu8 N16 -","- C38 H46 Cu8 N16 -","- C152 H184 Cu32 N64 -","4","0.5","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0377","0.0339","","","0.0796","0.0813","","","","","","1.05","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113039","20.8445","0.0013","10.8978","0.0007","20.9081","0.0013","90","","90","","90","","4749.5","0.5","123","2","123","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C38 H52 Cu8 N16 -","- C38 H52 Cu8 N16 -","- C152 H208 Cu32 N64 -","4","0.5","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0304","0.0285","","","0.0797","0.0805","","","","","","1.085","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113040","14.8055","0.0014","27.853","0.003","11.4508","0.0011","90","","126.013","0.002","90","","3819.6","0.7","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C60 H66 Cu10 N20 -","- C60.17 H66.14 Cu10 N20 -","- C120.34 H132.28 Cu20 N40 -","2","0.25","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0656","0.0512","","","0.1623","0.173","","","","","","1.08","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113041","10.947","0.003","20.288","0.005","23.757","0.006","105.772","0.004","96.529","0.004","90.526","0.004","5040","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H48 Br0 Cl Cr N2 O4 -","- C50 H48 Cl Cr N2 O4 -","- C200 H192 Cl4 Cr4 N8 O16 -","4","2","","Norito Takenaka; Guoyao Xia; Hisashi Yamamoto","Catalytic, Highly Enantio- and Diastereoselective Pinacol Coupling Reaction with a New Tethered Bis(8-quinolinolato) Ligand","Journal of the American Chemical Society","2004","126","","13198","13199","10.1021/ja045430u","","","0.71073","MoKα","","0.1535","0.0831","","","0.2102","0.2314","","","","","","0.931","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113042","20.723","0.006","15.213","0.004","28.909","0.008","90","","90","","90","","9114","4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H72 O4 P2 Ru2 S2 -","- C43 H72 O4 P2 Ru2 S2 -","- C344 H576 O32 P16 Ru16 S16 -","8","1","","Aaron K. Justice; Rachel C. Linck; Thomas B. Rauchfuss; Scott R. Wilson","Dihydrogen Activation by a Diruthenium Analogue of the Fe-Only Hydrogenase Active Site","Journal of the American Chemical Society","2004","126","","13214","13215","10.1021/ja0455594","","","0.71073","MoKα","","0.0623","0.0324","","","0.0625","0.068","","","","","","0.925","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113043","15.304","0.004","18.602","0.004","19.048","0.004","75.717","0.004","86.966","0.005","89.78","0.004","5247","2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H88 O3 P2 Ru2 S2 -","- C48 H88 O3 P2 Ru2 S2 -","- C192 H352 O12 P8 Ru8 S8 -","4","2","","Aaron K. Justice; Rachel C. Linck; Thomas B. Rauchfuss; Scott R. Wilson","Dihydrogen Activation by a Diruthenium Analogue of the Fe-Only Hydrogenase Active Site","Journal of the American Chemical Society","2004","126","","13214","13215","10.1021/ja0455594","","","0.71073","MoKα","","0.1727","0.0603","","","0.0998","0.1222","","","","","","0.853","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113044","14.157","0.007","15.14","0.007","16.707","0.008","70.865","0.016","87.95","0.02","69.166","0.013","3149","3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","BpqSeNO","","","- C72 H83 N O Se -","- C72 H83 N O Se -","- C144 H166 N2 O2 Se2 -","2","1","","Keiichi Shimada; Kei Goto; Takayuki Kawashima; Nozomi Takagi; Yoong-Kee Choe; Shigeru Nagase","Isolation of a Se-Nitrososelenol: A New Class of Reactive Nitrogen Species Relevant to Protein Se-Nitrosation","Journal of the American Chemical Society","2004","126","","13238","13239","10.1021/ja0457009","","","0.7107","MoKα","","0.0721","0.0572","","","0.1433","0.1546","","","","","","1.074","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113045","10.5775","0.0009","10.6288","0.0009","21.2014","0.0018","94.24","0.001","93","0.001","119.206","0.001","2064.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H51 Cl Co N9 O -","- C44 H51 Cl Co N9 O -","- C88 H102 Cl2 Co2 N18 O2 -","2","1","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Dioxygen Activation by a Low-Valent Cobalt Complex Employing a Flexible Tripodal N-Heterocyclic Carbene Ligand","Journal of the American Chemical Society","2004","126","","13464","13473","10.1021/ja046048k","","","0.71073","MoKα","","0.0429","0.0367","","","0.0903","0.0939","","","","","","1.033","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113046","10.667","0.002","10.702","0.002","20.707","0.004","87.212","0.003","83.314","0.003","60.477","0.003","2042.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H45 Cl2 Co N7 O S -","- C41 H45 Cl2 Co N7 O S -","- C82 H90 Cl4 Co2 N14 O2 S2 -","2","1","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Dioxygen Activation by a Low-Valent Cobalt Complex Employing a Flexible Tripodal N-Heterocyclic Carbene Ligand","Journal of the American Chemical Society","2004","126","","13464","13473","10.1021/ja046048k","","","0.71073","MoKα","","0.0732","0.0618","","","0.1654","0.1724","","","","","","1.071","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113047","23.7912","0.0019","11.5916","0.0009","27.394","0.002","90","","94.84","0.001","90","","7527.7","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C91 H91 B2 Co N9 -","- C91 H91 B2 Co N9 -","- C364 H364 B8 Co4 N36 -","4","1","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Dioxygen Activation by a Low-Valent Cobalt Complex Employing a Flexible Tripodal N-Heterocyclic Carbene Ligand","Journal of the American Chemical Society","2004","126","","13464","13473","10.1021/ja046048k","","","0.71073","MoKα","","0.0736","0.0491","","","0.1065","0.1155","","","","","","1.049","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113048","13.6","0.002","14.788","0.003","16.356","0.003","95.254","0.003","109.027","0.003","106.392","0.003","2921.6","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H65 B Co N7 O2 -","- C63 H65 B Co N7 O2 -","- C126 H130 B2 Co2 N14 O4 -","2","1","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Dioxygen Activation by a Low-Valent Cobalt Complex Employing a Flexible Tripodal N-Heterocyclic Carbene Ligand","Journal of the American Chemical Society","2004","126","","13464","13473","10.1021/ja046048k","","","0.71073","MoKα","","0.1071","0.065","","","0.1356","0.1483","","","","","","0.953","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113049","11.1582","0.0002","10.6203","0.0002","17.8002","0.0003","90","","90","","90","","2109.38","0.07","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.0684","0.0464","","","0.1001","0.1059","","","","","","1.062","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113050","11.1678","0.0002","10.6508","0.0002","17.8355","0.0003","90","","90","","90","","2121.46","0.07","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.0784","0.047","","","0.096","0.1037","","","","","","1.057","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113051","11.1782","0.0002","10.6868","0.0003","17.8841","0.0003","90","","90","","90","","2136.42","0.08","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.0925","0.0482","","","0.0943","0.1047","","","","","","1.041","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113052","11.1901","0.0002","10.7272","0.0002","17.9468","0.0003","90","","90","","90","","2154.31","0.07","250","2","250","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.1089","0.05","","","0.0959","0.1088","","","","","","1.027","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113053","11.1993","0.0002","10.7714","0.0004","18.0199","0.0003","90","","90","","90","","2173.78","0.1","300","2","300","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.1322","0.0528","","","0.0973","0.1149","","","","","","0.979","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113054","11.2122","0.0003","10.8006","0.0003","18.0743","0.0005","90","","90","","90","","2188.77","0.1","330","2","330","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.1548","0.0539","","","0.0949","0.1177","","","","","","0.942","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113055","6.6426","0.0002","11.3188","0.0004","22.6559","0.001","90","","92.6239","0.0015","90","","1701.63","0.11","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Co3 N2 O12 -","- C14 H12 Co3 N2 O12 -","- C56 H48 Co12 N8 O48 -","4","1","","Simon M. Humphrey; Paul T. Wood","Multiple Areas of Magnetic Bistability in the Topological Ferrimagnet [Co3(NC5H3(CO2)2-2,5)2(μ3-OH)2(OH2)2]","Journal of the American Chemical Society","2004","126","","13236","13237","10.1021/ja046351l","","","0.71073","MoKα","","0.0941","0.072","","","0.158","0.1696","","","","","","1.077","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113056","16.0055","0.0009","11.2575","0.0006","34.1472","0.0019","90","","101.152","0.001","90","","6036.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Ir N O2 P2 -","- C30 H48 Ir N O2 P2 -","- C240 H384 Ir8 N8 O16 P16 -","8","2","","Xiawei Zhang; Mira Kanzelberger; Thomas J. Emge; Alan S. Goldman","Selective Addition to Iridium of Aryl C-H Bonds Ortho to Coordinating Groups. Not Chelation-Assisted","Journal of the American Chemical Society","2004","126","","13192","13193","10.1021/ja046476q","","","0.71073","MoKα","","0.0303","0.0253","","","0.0543","0.0559","","","","","","1.003","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113057","12.3806","0.0011","17.1783","0.0016","14.0018","0.0013","90","","94.535","0.002","90","","2968.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H48 Ir N O2 P2 -","- C30 H48 Ir N O2 P2 -","- C120 H192 Ir4 N4 O8 P8 -","4","1","","Xiawei Zhang; Mira Kanzelberger; Thomas J. Emge; Alan S. Goldman","Selective Addition to Iridium of Aryl C-H Bonds Ortho to Coordinating Groups. Not Chelation-Assisted","Journal of the American Chemical Society","2004","126","","13192","13193","10.1021/ja046476q","","","0.71073","MoKα","","0.0808","0.0452","","","0.097","0.111","","","","","","1.008","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113058","19.4491","0.0009","10.485","0.0005","15.5406","0.0007","90","","100.886","0.001","90","","3112.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Ir O P2 -","- C32 H51 Ir O P2 -","- C128 H204 Ir4 O4 P8 -","4","1","","Xiawei Zhang; Mira Kanzelberger; Thomas J. Emge; Alan S. Goldman","Selective Addition to Iridium of Aryl C-H Bonds Ortho to Coordinating Groups. Not Chelation-Assisted","Journal of the American Chemical Society","2004","126","","13192","13193","10.1021/ja046476q","","","0.71073","MoKα","","0.0227","0.0198","","","0.0471","0.0482","","","","","","1.035","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113059","16.0141","0.0008","13.3238","0.0006","14.9154","0.0007","90","","105.463","0.001","90","","3067.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Ir O P2 -","- C32 H51 Ir O P2 -","- C128 H204 Ir4 O4 P8 -","4","1","","Xiawei Zhang; Mira Kanzelberger; Thomas J. Emge; Alan S. Goldman","Selective Addition to Iridium of Aryl C-H Bonds Ortho to Coordinating Groups. Not Chelation-Assisted","Journal of the American Chemical Society","2004","126","","13192","13193","10.1021/ja046476q","","","0.71073","MoKα","","0.0274","0.0233","","","0.0564","0.0584","","","","","","1.038","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113060","6.469","0.004","10.934","0.006","13.371","0.009","73.9","0.02","88.25","0.03","76.29","0.02","882.1","0.9","193.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 F3 O2 -","- C20 H21 F3 O2 -","- C40 H42 F6 O4 -","2","1","","Yoshimitsu Itoh; Masahiro Yamanaka; Koichi Mikami","Direct Generation of Ti-Enolate of α-CF3 Ketone: Theoretical Study and High-Yielding and Diastereoselective Aldol Reaction","Journal of the American Chemical Society","2004","126","","13174","13175","10.1021/ja046518a","","","0.7107","MoKα","","","0.096","","","","0.162","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113061","9.7983","0.001","9.4257","0.001","17.9186","0.0019","90","","92.743","0.002","90","","1653","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H48 Cl N4 O2 Rh -","- C35 H48 Cl N4 O2 Rh -","- C70 H96 Cl2 N8 O4 Rh2 -","2","1","","Manuel Alcarazo; Stephen J. Roseblade; Emma Alonso; Rosario Fernández; Eleuterio Alvarez; Fernando J. Lahoz; José M. Lassaletta","1,3-Bis(N,N-dialkylamino)imidazolin-2-ylidenes: Synthesis and Reactivity of a New Family of Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2004","126","","13242","13243","10.1021/ja0471119","","","0.71073","MoKα","","0.0322","0.0297","","","0.0707","0.0725","","","","","","1.042","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113062","8.0332","0.0002","13.2741","0.0003","9.5148","0.0002","90","","107.835","0.001","90","","965.84","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H29 F6 N4 P -","- C15 H29 F6 N4 P -","- C30 H58 F12 N8 P2 -","2","1","","Manuel Alcarazo; Stephen J. Roseblade; Emma Alonso; Rosario Fernández; Eleuterio Alvarez; Fernando J. Lahoz; José M. Lassaletta","1,3-Bis(N,N-dialkylamino)imidazolin-2-ylidenes: Synthesis and Reactivity of a New Family of Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2004","126","","13242","13243","10.1021/ja0471119","","","0.71073","MoKα","","0.0266","0.0257","","","0.0688","0.0697","","","","","","1.033","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113063","13.2635","0.001","17.8218","0.0014","21.0178","0.0017","90","","90","","90","","4968.2","0.7","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 Cl N4 Rh -","- C23 H40 Cl N4 Rh -","- C184 H320 Cl8 N32 Rh8 -","8","2","","Manuel Alcarazo; Stephen J. Roseblade; Emma Alonso; Rosario Fernández; Eleuterio Alvarez; Fernando J. Lahoz; José M. Lassaletta","1,3-Bis(N,N-dialkylamino)imidazolin-2-ylidenes: Synthesis and Reactivity of a New Family of Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2004","126","","13242","13243","10.1021/ja0471119","","","0.71073","MoKα","","0.0434","0.0308","","","0.0762","0.0825","","","","","","1.023","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113064","13.691","0.002","13.691","0.002","13.691","0.002","90","","90","","90","","2566.3","0.6","293","2","293","2","","","","","","","synthesis","3","P m -3 m","-P 4 2 3","221","itq21_calcined","structure solved from laboratory powder diffraction data","","- Ge14.83 O71.64 Si20.82 -","- Ge14.832 O71.64 Si20.816 -","- Ge14.832 O71.64 Si20.816 -","1","0.0208333","","Teresa Blasco; Avelino Corma; Maria José Díaz-Cabañas; Fernando Rey; Jordi Rius; German Sastre; José A. Vidal-Moya","Synthesis, Characterization, and Framework Heteroatom Localization in ITQ-21","Journal of the American Chemical Society","2004","126","","13414","13423","10.1021/ja047990z","","x-ray","1.54059","CuKa12","","0.059","0.059","","0.073","0.073","","","","2.7","2.7","2.7","","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113065","27.696","","27.696","","27.696","","90","","90","","90","","21244.7","","293","2","293","2","","","","","","","synthesis","7","F m -3 c","-F 4a 2 3","226","itq21_as-synthesised","ITQ-21 as synthesised, ref. number: itq21-653","","- C384 H696 F24 Ge120 N48 O576 Si168 -","- F23.616 Ge288.192 O573.12 Si19.456 -","- F23.616 Ge288.192 O573.12 Si19.456 -","1","0.00520833","","Teresa Blasco; Avelino Corma; Maria José Díaz-Cabañas; Fernando Rey; Jordi Rius; German Sastre; José A. Vidal-Moya","Synthesis, Characterization, and Framework Heteroatom Localization in ITQ-21","Journal of the American Chemical Society","2004","126","","13414","13423","10.1021/ja047990z","","","0.9611","monochromatic","","0.07","0.07","","0.0912","0.0912","","","","1.008","1.008","1.008","","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113066","30.052","0.004","30.052","0.004","42.551","0.009","90","","90","","90","","38429","11","100","2","100","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","Cuboctahedron","","","- C66 H100 O40 Pr3.75 S6 -","- C48 H26.6667 O34.3911 Pr2.22222 S6.22222 -","- C864 H480 O619.04 Pr40 S112 -","18","1.125","","Jerry L. Atwood; Leonard J. Barbour; Scott J. Dalgarno; Michaele J. Hardie; Colin L. Raston; Helen R. Webb","Toward Mimicking Viral Geometry with Metal-Organic Systems","Journal of the American Chemical Society","2004","126","","13170","13171","10.1021/ja048058r","","","0.71073","MoKα","","0.3276","0.291","","","0.6052","0.6174","","","","","","4.674","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113067","14.806","0.005","13.179","0.004","24.417","0.007","90","","97.738","0.013","90","","4721","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Fluoxetine hydrochloride:benzoic acid cocrystal (1:1)","N-Methyl-g-((4-trifluoromethyl)phenoxy)-benzenepropanamine hydrochloride benzoic acid","","- C24 H25 Cl F3 N O3 -","- C24 H25 Cl F3 N O3 -","- C192 H200 Cl8 F24 N8 O24 -","8","2","","Scott L. Childs; Leonard J. Chyall; Jeanette T. Dunlap; Valeriya N. Smolenskaya; Barbara C. Stahly; G. Patrick Stahly","Crystal Engineering Approach To Forming Cocrystals of Amine Hydrochlorides with Organic Acids. Molecular Complexes of Fluoxetine Hydrochloride with Benzoic, Succinic, and Fumaric Acids","Journal of the American Chemical Society","2004","126","","13335","13342","10.1021/ja048114o","","","0.71073","MoKα","","0.133","0.0852","","","0.193","0.2165","","","","","","1.052","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113068","26.6914","0.0008","7.1807","0.0003","20.6546","0.0007","90","","90","","90","","3958.7","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Fluoxetine hydrochloride:fumaric acid cocrystal (2:1)","N-Methyl-g-((4-trifluoromethyl)phenoxy)-benzenepropanamine hydrochloride fumaric acid","","- C38 H42 Cl2 F6 N2 O6 -","- C38 H42 Cl2 F6 N2 O6 -","- C152 H168 Cl8 F24 N8 O24 -","4","0.5","","Scott L. Childs; Leonard J. Chyall; Jeanette T. Dunlap; Valeriya N. Smolenskaya; Barbara C. Stahly; G. Patrick Stahly","Crystal Engineering Approach To Forming Cocrystals of Amine Hydrochlorides with Organic Acids. Molecular Complexes of Fluoxetine Hydrochloride with Benzoic, Succinic, and Fumaric Acids","Journal of the American Chemical Society","2004","126","","13335","13342","10.1021/ja048114o","","","1.54178","CuKα","","0.0941","0.047","","","0.0927","0.1202","","","","","","1.004","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113069","26.62","0.002","7.2147","0.0007","20.8315","0.0019","90","","90","","90","","4000.8","0.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Fluoxetine hydrochloride:succinic acid cocrystal (2:1)","N-Methyl-g-((4-trifluoromethyl)phenoxy)-benzenepropanamine hydrochloride succinic acid","","- C38 H44 Cl2 F6 N2 O6 -","- C38 H44 Cl2 F6 N2 O6 -","- C152 H176 Cl8 F24 N8 O24 -","4","0.5","","Scott L. Childs; Leonard J. Chyall; Jeanette T. Dunlap; Valeriya N. Smolenskaya; Barbara C. Stahly; G. Patrick Stahly","Crystal Engineering Approach To Forming Cocrystals of Amine Hydrochlorides with Organic Acids. Molecular Complexes of Fluoxetine Hydrochloride with Benzoic, Succinic, and Fumaric Acids","Journal of the American Chemical Society","2004","126","","13335","13342","10.1021/ja048114o","","","0.71073","MoKα","","0.0892","0.0767","","","0.1855","0.1928","","","","","","1.195","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113070","8.1571","0.00013","8.1571","","8.1571","","90","","90","","90","","542.759","0.009","","","","","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- Li0.25 Mg0.03 Mn0.39 Ni0.09 O -","- Li0.246248 Mg0.025 Mn0.385456 Ni0.0895438 O -","- Li7.87992 Mg0.8 Mn12.3346 Ni2.8654 O32 -","32","1.33333","","Marnix Wagemaker; Frans G. B. Ooms; Erik M. Kelder; Joop Schoonman; Fokko M. Mulder","Extensive Migration of Ni and Mn by Lithiation of Ordered LiMg0.1Ni0.4Mn1.5O4 Spinel","Journal of the American Chemical Society","2004","126","","13526","13533","10.1021/ja048319x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113071","5.7375","0.0003","5.7375","","8.6575","0.0014","90","","90","","90","","285","0.05","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- Li0.6 Mg0.03 Mn0.44 Ni0.03 O -","- Li0.59903 Mg0.025 Mn0.443845 Ni0.031155 O -","- Li9.58448 Mg0.4 Mn7.10152 Ni0.49848 O16 -","16","0.5","","Marnix Wagemaker; Frans G. B. Ooms; Erik M. Kelder; Joop Schoonman; Fokko M. Mulder","Extensive Migration of Ni and Mn by Lithiation of Ordered LiMg0.1Ni0.4Mn1.5O4 Spinel","Journal of the American Chemical Society","2004","126","","13526","13533","10.1021/ja048319x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113072","5.7175","0.0005","5.7175","","8.9936","0.0011","90","","90","","90","","294","0.04","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- Li0.45 Mg0.03 Mn0.34 Ni0.14 O -","- Li0.451555 Mg0.025 Mn0.33928 Ni0.13572 O -","- Li7.22488 Mg0.4 Mn5.42848 Ni2.17152 O16 -","16","0.5","","Marnix Wagemaker; Frans G. B. Ooms; Erik M. Kelder; Joop Schoonman; Fokko M. Mulder","Extensive Migration of Ni and Mn by Lithiation of Ordered LiMg0.1Ni0.4Mn1.5O4 Spinel","Journal of the American Chemical Society","2004","126","","13526","13533","10.1021/ja048319x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113073","35.876","0.009","6.019","0.001","20.131","0.005","90","","94.495","0.004","90","","4333.7","1.7","153.2","","153.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 F26 S4 Si2 -","- C34 H24 F26 S4 Si2 -","- C136 H96 F104 S16 Si8 -","4","0.5","","Antonio Facchetti; Myung-Han Yoon; Charlotte L. Stern; Geoffrey R. Hutchison; Mark A. Ratner; Tobin J. Marks","Building Blocks for N-Type Molecular and Polymeric Electronics. Perfluoroalkyl- versus Alkyl-Functionalized Oligothiophenes (nTs; n= 2-6). Systematic Synthesis, Spectroscopy, Electrochemistry, and Solid-State Organization","Journal of the American Chemical Society","2004","126","","13480","13501","10.1021/ja048988a","","","0.7107","MoKα","","0.069","0.059","","0.2004","","0.143","","","1.285","","","1.86","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113074","12.027","0.002","27.228","0.005","12.927","0.002","90","","95.966","0.004","90","","4210.3","1.2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H43 Br O6 -","- C50 H43 Br O6 -","- C200 H172 Br4 O24 -","4","1","","Baudouin Gerard; Guilford Jones; John A. Porco","A Biomimetic Approach to the Rocaglamides Employing Photogeneration of Oxidopyryliums Derived from 3-Hydroxyflavones","Journal of the American Chemical Society","2004","126","","13620","13621","10.1021/ja044798o","","","0.71073","MoKα","","0.2038","0.0655","","","0.1101","0.1455","","","","","","0.998","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113075","25.4111","0.001","16.5031","0.0006","16.4599","0.0006","90","","106.677","0.001","90","","6612.3","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Br2 O6 -","- C38 H28 Br2 O6 -","- C304 H224 Br16 O48 -","8","2","","Baudouin Gerard; Guilford Jones; John A. Porco","A Biomimetic Approach to the Rocaglamides Employing Photogeneration of Oxidopyryliums Derived from 3-Hydroxyflavones","Journal of the American Chemical Society","2004","126","","13620","13621","10.1021/ja044798o","","","0.71073","MoKα","","0.094","0.0459","","","0.1001","0.1169","","","","","","1.022","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113076","6.6701","0.0007","12.0093","0.0016","21.684","0.003","90","","92.974","0.009","90","","1734.6","0.4","210","2","210","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,15-Bis(1,3-dithanyl)-10,20-diphenylporphyrin","","- C40 H34 N4 S4 -","- C40 H34 N4 S4 -","- C80 H68 N8 S8 -","2","0.5","","Mathias O. Senge; Sabine S. Hatscher; Arno Wiehe; Katja Dahms; Andrea Kelling","The Dithianyl Group as a Synthon in Porphyrin Chemistry: Condensation Reactions and Preparation of Formylporphyrins under Basic Conditions","Journal of the American Chemical Society","2004","126","","13634","13635","10.1021/ja045223u","","","0.71073","MoKα","","0.125","0.0581","","","0.0994","0.1166","","","","","","0.891","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113077","9.5709","0.0015","17.391","0.003","20.501","0.003","90","","90","","90","","3412.3","0.9","173.5","","173.5","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H51 Mo N2 O3 P -","- C34 H51 Mo N2 O3 P -","- C136 H204 Mo4 N8 O12 P4 -","4","1","","María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery","Chemistry of the Phosphinidene Oxide Ligand","Journal of the American Chemical Society","2004","126","","13610","13611","10.1021/ja045487g","","","0.71073","MoKα","","0.0904","0.0442","","","0.0735","0.0846","","","","","","0.933","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113078","17.1829","0.0015","13.0958","0.0011","27.663","0.002","90","","90","","90","","6224.8","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H39 Mo O4 P -","- C32 H39 Mo O4 P -","- C256 H312 Mo8 O32 P8 -","8","1","","María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery","Chemistry of the Phosphinidene Oxide Ligand","Journal of the American Chemical Society","2004","126","","13610","13611","10.1021/ja045487g","","","0.71073","MoKα","","0.1836","0.0651","","","0.1084","0.1428","","","","","","0.944","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113079","20.947","0.002","10.4889","0.001","11.5591","0.0012","90","","102.708","0.002","90","","2477.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 F Mo O2 P -","- C25 H34 F Mo O2 P -","- C100 H136 F4 Mo4 O8 P4 -","4","1","","María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery","Chemistry of the Phosphinidene Oxide Ligand","Journal of the American Chemical Society","2004","126","","13610","13611","10.1021/ja045487g","","","0.71073","MoKα","","0.1285","0.0567","","","0.0852","0.1031","","","","","","0.969","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113080","9.2708","0.0003","12.0224","0.0004","14.3208","0.0005","84.894","0.001","77.062","0.001","75.535","0.001","1505.4","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H43 Mo O3 P -","- C31.5 H39 Mo O3 P -","- C63 H78 Mo2 O6 P2 -","2","1","","María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery","Chemistry of the Phosphinidene Oxide Ligand","Journal of the American Chemical Society","2004","126","","13610","13611","10.1021/ja045487g","","","0.71073","MoKα","","0.0286","0.0241","","","0.0594","0.0602","","","","","","0.982","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113081","12.8595","0.0007","16.945","0.001","17.3999","0.001","94.467","0.001","92.188","0.001","107.83","0.001","3590.7","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H90 Cl2 O12 -","- C76 H88 O12 -","- C152 H176 O24 -","2","1","","Rajendra Rathore; Sameh H. Abdelwahed; Ilia A. Guzei","Synthesis of a Calix[4]arene Derivative for Isolation of a Stable Cation Radical Salt for Use as a Colorimetric Sensor of Nitric Oxide","Journal of the American Chemical Society","2004","126","","13582","13583","10.1021/ja0454900","","","0.71073","MoKα","","0.0866","0.0586","","","0.1454","0.1565","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113082","17.7568","0.0006","19.4998","0.0007","22.7932","0.0008","90","","90","","90","","7892.2","0.5","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C78 H92 Cl10 N O13 Sb -","- C76 H88 Cl6 N O13 Sb -","- C304 H352 Cl24 N4 O52 Sb4 -","4","0.5","","Rajendra Rathore; Sameh H. Abdelwahed; Ilia A. Guzei","Synthesis of a Calix[4]arene Derivative for Isolation of a Stable Cation Radical Salt for Use as a Colorimetric Sensor of Nitric Oxide","Journal of the American Chemical Society","2004","126","","13582","13583","10.1021/ja0454900","","","0.71073","MoKα","","0.033","0.0313","","","0.0732","0.0738","","","","","","1.051","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113083","7.5396","0.0016","13.197","0.003","14.701","0.003","92.045","0.004","93.378","0.004","98.745","0.004","1441.8","0.5","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H36 O8 -","- C34 H36 O8 -","- C68 H72 O16 -","2","1","","James B. Beil; N. Gabriel Lemcoff; Steven C. Zimmerman","On the Nature of Dendrimer Cross-Linking by Ring-Closing Metathesis","Journal of the American Chemical Society","2004","126","","13576","13577","10.1021/ja045885j","","","0.71073","MoKα","","0.1036","0.0516","","","0.1304","0.1433","","","","","","1.036","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113084","8.557","0.0017","13.017","0.003","14.182","0.003","95.851","0.004","94.257","0.004","103.649","0.004","1519.2","0.6","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H36 O8 -","- C34 H36 O8 -","- C68 H72 O16 -","2","1","","James B. Beil; N. Gabriel Lemcoff; Steven C. Zimmerman","On the Nature of Dendrimer Cross-Linking by Ring-Closing Metathesis","Journal of the American Chemical Society","2004","126","","13576","13577","10.1021/ja045885j","","","0.71073","MoKα","","0.1061","0.0397","","","0.0693","0.0818","","","","","","0.833","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113085","11.6076","0.0005","17.6809","0.0007","27.2021","0.0011","90","","90","","90","","5582.8","0.4","143","1","143","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H20 Cl3 N3 O3 Ru -","- C31 H20 Cl3 N3 O3 Ru -","- C248 H160 Cl24 N24 O24 Ru8 -","8","1","","Howard Bregman; Douglas S. Williams; G. Ekin Atilla; Patrick J. Carroll; Eric Meggers","An Organometallic Inhibitor for Glycogen Synthase Kinase 3","Journal of the American Chemical Society","2004","126","","13594","13595","10.1021/ja046049c","","","0.71069","MoKα","","0.0508","0.0461","","","0.1225","0.1278","","","","","","1.042","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113086","6.2223","0.0013","11.473","0.003","24.811","0.006","90","","90","","90","","1771.2","0.7","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Qi-Ying Hu; Gang Zhou; E. J. Corey","Application of Chiral Cationic Catalysts to Several Classical Syntheses of Racemic Natural Products Transforms Them into Highly Enantioselective Pathways","Journal of the American Chemical Society","2004","126","","13708","13713","10.1021/ja046154m","","","0.71073","MoKα","","0.0607","0.0517","","","0.112","0.1159","","","","","","1.13","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113087","9.743","0.002","10.973","0.002","11.164","0.002","82.128","0.003","82.136","0.003","83.161","0.003","1165","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","03046","","","- C26 H24 Co O4 P -","- C26 H24 Co O4 P -","- C52 H48 Co2 O8 P2 -","2","1","","Donald J. Darensbourg; Andrea L. Phelps; Nathalie Le Gall; Li Jia","Mechanistic Studies of the Copolymerization Reaction of Aziridines and Carbon Monoxide to Produce Poly-β-peptoids","Journal of the American Chemical Society","2004","126","","13808","13815","10.1021/ja046225h","","","0.71073","MoKα","","0.0436","0.0353","","","0.0932","0.0987","","","","","","1.017","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113088","9.41","0.03","9.43","0.03","11.98","0.03","88.45","0.05","76.11","0.05","84.76","0.05","1028","5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Co O4 P -","- C23 H18 Co O4 P -","- C46 H36 Co2 O8 P2 -","2","1","","Donald J. Darensbourg; Andrea L. Phelps; Nathalie Le Gall; Li Jia","Mechanistic Studies of the Copolymerization Reaction of Aziridines and Carbon Monoxide to Produce Poly-β-peptoids","Journal of the American Chemical Society","2004","126","","13808","13815","10.1021/ja046225h","","","0.71073","MoKα","","0.0925","0.0784","","","0.2387","0.2645","","","","","","1.055","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113089","8.8433","0.0009","19.2251","0.0019","5.7426","0.0005","90","","90","","90","","976.32","0.16","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C44 H56 O8 -","4","1","","Alice E. Lurain; Aaron Maestri; Ann Rowley Kelly; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Synthesis of Acyclic Epoxy Alcohols with Three Contiguous Stereocenters","Journal of the American Chemical Society","2004","126","","13608","13609","10.1021/ja046750g","","","0.71069","MoKα","","0.0302","0.0292","","","0.0718","0.0728","","","","","","1.12","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113090","43.276","0.002","43.276","0.002","12.6051","0.001","90","","90","","120","","20444","2","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C52 H65 Fe N3 -","- C52 H65 Fe N3 -","- C936 H1170 Fe18 N54 -","18","1","","Suzanne C. Bart; Emil Lobkovsky; Paul J. Chirik","Preparation and Molecular and Electronic Structures of Iron(0) Dinitrogen and Silane Complexes and Their Application to Catalytic Hydrogenation and Hydrosilation","Journal of the American Chemical Society","2004","126","","13794","13807","10.1021/ja046753t","","","0.71073","MoKα","","0.1136","0.0616","","","0.1605","0.187","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113091","18.3719","0.0018","16.5295","0.0014","37.716","0.004","90","","95.918","0.004","90","","11392.5","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C103 H137 Cl17 N9 Sc3 -","- C34.3333 H45 Cl5.66667 N3 Sc -","- C412 H540 Cl68 N36 Sc12 -","12","3","","Suzanne C. Bart; Emil Lobkovsky; Paul J. Chirik","Preparation and Molecular and Electronic Structures of Iron(0) Dinitrogen and Silane Complexes and Their Application to Catalytic Hydrogenation and Hydrosilation","Journal of the American Chemical Society","2004","126","","13794","13807","10.1021/ja046753t","","","0.71073","MoKα","","0.1388","0.0683","","","0.1448","0.1721","","","","","","0.991","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113092","13.618","0.0006","12.4246","0.0005","26.3319","0.001","90","","102.024","0.001","90","","4357.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H59 Fe N3 Si2 -","- C46.5 H59 Fe N3 Si2 -","- C186 H236 Fe4 N12 Si8 -","4","1","","Suzanne C. Bart; Emil Lobkovsky; Paul J. Chirik","Preparation and Molecular and Electronic Structures of Iron(0) Dinitrogen and Silane Complexes and Their Application to Catalytic Hydrogenation and Hydrosilation","Journal of the American Chemical Society","2004","126","","13794","13807","10.1021/ja046753t","","","0.71073","MoKα","","0.092","0.0481","","","0.1013","0.1167","","","","","","1.024","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113093","8.5667","0.0011","8.8933","0.0011","22.409","0.003","86.353","0.003","84.933","0.003","70.398","0.003","1601","0.4","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H43 Fe N7 -","- C33 H43 Fe N7 -","- C66 H86 Fe2 N14 -","2","1","","Suzanne C. Bart; Emil Lobkovsky; Paul J. Chirik","Preparation and Molecular and Electronic Structures of Iron(0) Dinitrogen and Silane Complexes and Their Application to Catalytic Hydrogenation and Hydrosilation","Journal of the American Chemical Society","2004","126","","13794","13807","10.1021/ja046753t","","","0.71073","MoKα","","0.1031","0.0546","","","0.0995","0.114","","","","","","0.995","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113094","10.1598","0.0003","11.7014","0.0004","15.3667","0.0005","75.595","0.002","78.587","0.002","67.167","0.002","1620.22","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H41 N2 O P Sn -","- C35 H41 N2 O P Sn -","- C70 H82 N4 O2 P2 Sn2 -","2","1","","Nonsee Nimitsiriwat; Edward L. Marshall; Vernon C. Gibson; Mark R. J. Elsegood; Sophie H. Dale","Unprecedented Reversible Migration of Amide to Schiff Base Ligands Attached to Tin: Latent Single-Site Initiators for Lactide Polymerization","Journal of the American Chemical Society","2004","126","","13598","13599","10.1021/ja0470315","","","0.71073","MoKα","","0.0206","0.019","","","0.0484","0.0493","","","","","","1.044","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113095","12.442","0.0001","19.8595","0.0002","35.8872","0.0004","90","","97.661","0.001","90","","8788.29","0.15","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C113 H82 Cl2 N8 -","- C113 H82 Cl2 N8 -","- C452 H328 Cl8 N32 -","4","1","","Bohumil Dolenský; Jiří Kroulík; Vladimír Král; Jonathan L. Sessler; Hana Dvořáková; Petr Bouř; Markéta Bernátková; Christophe Bucher; Vincent Lynch","Calix[4]phyrins. Effect of Peripheral Substituents on Conformational Mobility and Structure within a Series of Related Systems","Journal of the American Chemical Society","2004","126","","13714","13722","10.1021/ja048075g","","","0.71073","MoKα","","0.1619","0.0778","","","0.1571","0.1925","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113096","15.0933","0.0002","24.4686","0.0003","13.2314","0.0002","90","","107.054","0.001","90","","4671.65","0.11","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H27 Cl3 F10 N4 -","- C57 H26 Cl3.01 F10 N4 -","- C228 H104 Cl12.04 F40 N16 -","4","1","","Bohumil Dolenský; Jiří Kroulík; Vladimír Král; Jonathan L. Sessler; Hana Dvořáková; Petr Bouř; Markéta Bernátková; Christophe Bucher; Vincent Lynch","Calix[4]phyrins. Effect of Peripheral Substituents on Conformational Mobility and Structure within a Series of Related Systems","Journal of the American Chemical Society","2004","126","","13714","13722","10.1021/ja048075g","","","0.71073","MoKα","","0.0847","0.0546","","","0.1209","0.1335","","","","","","1.198","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113097","25.0385","0.0003","7.6843","0.0001","19.3335","0.0002","90","","112.494","0.001","90","","3436.82","0.07","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 F10 N4 -","- C42 H30 F10 N4 -","- C168 H120 F40 N16 -","4","0.5","","Bohumil Dolenský; Jiří Kroulík; Vladimír Král; Jonathan L. Sessler; Hana Dvořáková; Petr Bouř; Markéta Bernátková; Christophe Bucher; Vincent Lynch","Calix[4]phyrins. Effect of Peripheral Substituents on Conformational Mobility and Structure within a Series of Related Systems","Journal of the American Chemical Society","2004","126","","13714","13722","10.1021/ja048075g","","","0.71073","MoKα","","0.0336","0.0306","","","0.0765","0.078","","","","","","1.043","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113098","14.2116","0.0003","11.8259","0.0003","11.5544","0.0002","90","","111.306","0.001","90","","1809.17","0.07","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H26 F10 N4 -","- C46 H26 F10 N4 -","- C92 H52 F20 N8 -","2","0.5","","Bohumil Dolenský; Jiří Kroulík; Vladimír Král; Jonathan L. Sessler; Hana Dvořáková; Petr Bouř; Markéta Bernátková; Christophe Bucher; Vincent Lynch","Calix[4]phyrins. Effect of Peripheral Substituents on Conformational Mobility and Structure within a Series of Related Systems","Journal of the American Chemical Society","2004","126","","13714","13722","10.1021/ja048075g","","","0.71073","MoKα","","0.2066","0.0751","","","0.1565","0.1781","","","","","","1.255","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113099","15.376","0.003","11.174","0.002","18.51","0.003","90","","100.535","0.002","90","","3126.6","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Cl2 Fe O4 Si4 -","- C22 H42 Cl2 Fe O4 Si4 -","- C88 H168 Cl8 Fe4 O16 Si16 -","4","1","","Hisako Hashimoto; Katsunori Suzuki; Wataru Setaka; Chizuko Kabuto; Mitsuo Kira","Iron Complexes of (E)- and (Z)-1,2-Dichlorodisilenes","Journal of the American Chemical Society","2004","126","","13628","13629","10.1021/ja048100i","","","0.7107","MoKα","","0.0403","0.0353","","","0.1105","0.1184","","","","","","0.919","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113100","14.774","0.004","15.521","0.005","27.909","0.008","90","","90","","90","","6400","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H42 Cl2 Fe O4 Si4 -","- C22 H42 Cl2 Fe O4 Si4 -","- C176 H336 Cl16 Fe8 O32 Si32 -","8","1","","Hisako Hashimoto; Katsunori Suzuki; Wataru Setaka; Chizuko Kabuto; Mitsuo Kira","Iron Complexes of (E)- and (Z)-1,2-Dichlorodisilenes","Journal of the American Chemical Society","2004","126","","13628","13629","10.1021/ja048100i","","","0.7107","MoKα","","0.1744","0.1494","","","0.3007","0.3165","","","","","","1.178","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113101","5.057","0.002","5.057","0.002","5.42","0.003","90","","90","","120","","120.04","0.09","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ba Pt -","- Ba Pt -","- Ba2 Pt2 -","2","0.0833333","","Andrey Karpov; Jürgen Nuss; Ulrich Wedig; Martin Jansen","Covalently Bonded [Pt]-Chains in BaPt: Extension of the Zintl-Klemm Concept to Anionic Transition Metals?","Journal of the American Chemical Society","2004","126","","14123","14128","10.1021/ja0401186","","","0.71073","MoKα","","0.0319","0.0297","","","0.0787","0.0794","","","","","","1.372","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113102","6.8198","0.0003","9.4658","0.0007","11.7016","0.0008","91.077","0.003","103.919","0.004","104.246","0.004","708.22","0.08","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 Br2 Zr -","- C13 H16 Br2 Zr -","- C26 H32 Br4 Zr2 -","2","1","","Asha Rajapakshe; Nadine E. Gruhn; Dennis L. Lichtenberger; Rehan Basta; Atta M. Arif; Richard D. Ernst","Pentadienyls vs Cyclopentadienyls and Reversal of Metal-Ligand Bonding Affinity with Metal Oxidation State: Synthesis, Molecular Structures, and Electronic Structures of High-Valent Zirconium Pentadienyl Complexes","Journal of the American Chemical Society","2004","126","","14105","14116","10.1021/ja040123+","","","0.71073","MoKα","","0.0766","0.0573","","","0.1539","0.1683","","","","","","1.088","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113103","17.5859","0.0007","6.6451","0.0001","24.7237","0.001","90","","107.946","0.0012","90","","2748.65","0.16","150","1","150","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C13 H16 Cl2 Zr -","- C13 H16 Cl2 Zr -","- C104 H128 Cl16 Zr8 -","8","2","","Asha Rajapakshe; Nadine E. Gruhn; Dennis L. Lichtenberger; Rehan Basta; Atta M. Arif; Richard D. Ernst","Pentadienyls vs Cyclopentadienyls and Reversal of Metal-Ligand Bonding Affinity with Metal Oxidation State: Synthesis, Molecular Structures, and Electronic Structures of High-Valent Zirconium Pentadienyl Complexes","Journal of the American Chemical Society","2004","126","","14105","14116","10.1021/ja040123+","","","0.71073","MoKα","","0.0579","0.0376","","","0.0684","0.075","","","","","","1.082","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113104","8.73","0.0002","13.1929","0.0003","13.0595","0.0004","90","","95.298","0.0011","90","","1497.69","0.07","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 I2 Zr -","- C13 H16 I2 Zr -","- C52 H64 I8 Zr4 -","4","1","","Asha Rajapakshe; Nadine E. Gruhn; Dennis L. Lichtenberger; Rehan Basta; Atta M. Arif; Richard D. Ernst","Pentadienyls vs Cyclopentadienyls and Reversal of Metal-Ligand Bonding Affinity with Metal Oxidation State: Synthesis, Molecular Structures, and Electronic Structures of High-Valent Zirconium Pentadienyl Complexes","Journal of the American Chemical Society","2004","126","","14105","14116","10.1021/ja040123+","","","0.71073","MoKα","","0.052","0.039","","","0.0871","0.0948","","","","","","1.022","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113105","26.777","0.012","8.697","0.004","22.295","0.01","90","","99.105","0.007","90","","5127","4","138","2","138","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C63 H69 N4 Zr2 -","- C63 H69 N4 Zr2 -","- C252 H276 N16 Zr8 -","4","1","","Matthew D. LoCoco; Richard F. Jordan","Enantioselective Synthesis of ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","13918","13919","10.1021/ja045245g","","","0.71073","MoKα","","0.0268","0.0251","","","0.0659","0.0673","","","","","","0.605","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113106","10.3941","0.0019","12.017","0.002","21.372","0.004","90","","90","","90","","2669.5","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(2R,4R)-N,N'-Diphenyl-(2,4)-pentanediamine]ZrCl2(THF2)","","","- C25 H36 Cl2 N2 O2 Zr -","- C25 H36 Cl2 N2 O2 Zr -","- C100 H144 Cl8 N8 O8 Zr4 -","4","1","","Matthew D. LoCoco; Richard F. Jordan","Enantioselective Synthesis of ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","13918","13919","10.1021/ja045245g","","","0.71073","MoKα","","0.0332","0.0298","","","0.0515","0.0524","","","","","","1.006","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113107","15.041","0.003","11.401","0.002","11.289","0.002","90","","117.92","0.03","90","","1710.5","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C37 H38 N2 Si Zr -","- C37 H38 N2 Si Zr -","- C74 H76 N4 Si2 Zr2 -","2","0.5","","Matthew D. LoCoco; Richard F. Jordan","Enantioselective Synthesis of ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","13918","13919","10.1021/ja045245g","","","0.71073","MoKα","","0.0396","0.039","","","0.0891","0.0895","","","","","","1.062","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113108","7.1767","0.0012","13.512","0.002","16.907","0.003","90","","90","","90","","1639.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S,S)-[CH2CH2(Indnyl)2]ZrCl2","","","- C20 H16 Cl2 Zr -","- C20 H16 Cl2 Zr -","- C80 H64 Cl8 Zr4 -","4","1","","Matthew D. LoCoco; Richard F. Jordan","Enantioselective Synthesis of ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","13918","13919","10.1021/ja045245g","","","0.71073","MoKα","","0.0248","0.0235","","","0.052","0.0524","","","","","","1.143","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113109","15.699","0.002","15.699","0.002","16.214","0.003","90","","90","","90","","3996.1","1","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C44 H40 O4 -","- C44 H40 O4 -","- C176 H160 O16 -","4","0.5","","Vijay Gopalsamuthiram; William D. Wulff","A New Convergent Strategy for the Synthesis of Calixarenes via a Triple Annulation of Fischer Carbene Complexes","Journal of the American Chemical Society","2004","126","","13936","13937","10.1021/ja0454236","","","0.71073","MoKα","","0.4427","0.1882","","","0.3515","0.4135","","","","","","1.491","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113110","12.899","0.003","16.405","0.003","15.888","0.003","90","","97.61","0.03","90","","3332.4","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 O4 -","- C44 H40 O4 -","- C176 H160 O16 -","4","1","","Vijay Gopalsamuthiram; William D. Wulff","A New Convergent Strategy for the Synthesis of Calixarenes via a Triple Annulation of Fischer Carbene Complexes","Journal of the American Chemical Society","2004","126","","13936","13937","10.1021/ja0454236","","","0.71073","MoKα","","0.1374","0.054","","","0.089","0.1111","","","","","","0.997","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113111","10.817","0.002","10.839","0.002","13.945","0.003","104.68","0.03","101.53","0.03","92.22","0.03","1542.8","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H39 N O6 -","- C36 H39 N O6 -","- C72 H78 N2 O12 -","2","1","","Vijay Gopalsamuthiram; William D. Wulff","A New Convergent Strategy for the Synthesis of Calixarenes via a Triple Annulation of Fischer Carbene Complexes","Journal of the American Chemical Society","2004","126","","13936","13937","10.1021/ja0454236","","","0.71073","MoKα","","0.0603","0.0499","","","0.1618","0.1671","","","","","","1.189","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113112","15.3195","0.0013","7.0515","0.0006","21.4677","0.0019","90","","106.239","0.002","90","","2226.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C100 H96 N8 O24 -","4","1","","Douglass F. Taber; Yigang He; Ming Xu","Enantioselective Construction of Carbobicyclic Scaffolds","Journal of the American Chemical Society","2004","126","","13900","13901","10.1021/ja045849k","","","0.71073","MoKα","","0.1104","0.0862","","","0.1623","0.1702","","","","","","1.294","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113113","10.376","0.002","10.376","0.002","10.376","0.002","90","","90","","90","","1117.1","0.4","100","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Be13 Ce -","- Be13 Ce -","- Be104 Ce8 -","8","0.0416667","","Zakiya S. Wilson; Robin T. Macaluso; E. D. Bauer; J. L. Smith; J. D. Thompson; Z. Fisk; George G. Stanley; Julia Y. Chan","Rare Beryllium Icosahedra in the Intermediate Valence Compound CeBe13","Journal of the American Chemical Society","2004","126","","13926","13927","10.1021/ja045861c","","","0.71073","MoKα","","0.0219","0.0192","","","0.0464","0.0484","","","","","","1.159","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113114","11.923","0.0007","13.1067","0.0008","16.6412","0.001","74.251","0.001","72.965","0.001","67.582","0.001","2260.7","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","(t-BuC(P)O)Nb(N[Np]Ar)3","","","- C44 H63 N3 Nb O P -","- C44 H63 N3 Nb O P -","- C88 H126 N6 Nb2 O2 P2 -","2","1","","Joshua S. Figueroa; Christopher C. Cummins","Phosphaalkynes from Acid Chlorides via P for O(Cl) Metathesis: A Recyclable Niobium Phosphide (P3-) Reagent that Effects C-P Triple-Bond Formation","Journal of the American Chemical Society","2004","126","","13916","13917","10.1021/ja0461522","","","0.71073","MoKα","","0.0819","0.0661","","","0.154","0.1599","","","","","","1.014","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113115","12.7695","0.0009","16.2045","0.0011","22.624","0.0015","90","","91.802","0.001","90","","4679.1","0.6","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(F3CSO3)2Nb(N[Np]Ar)3","","","- C41 H47 F6 N3 Nb O6 S2 -","- C41 H47 F6 N3 Nb O6 S2 -","- C164 H188 F24 N12 Nb4 O24 S8 -","4","1","","Joshua S. Figueroa; Christopher C. Cummins","Phosphaalkynes from Acid Chlorides via P for O(Cl) Metathesis: A Recyclable Niobium Phosphide (P3-) Reagent that Effects C-P Triple-Bond Formation","Journal of the American Chemical Society","2004","126","","13916","13917","10.1021/ja0461522","","","0.71073","MoKα","","0.063","0.0461","","","0.1381","0.1446","","","","","","1.071","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113116","12.5441","0.001","34.834","0.003","12.2793","0.001","90","","115.995","0.001","90","","4822.8","0.7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(1-AdC(P)O)Nb(N[Np]Ar)3","","","- C50 H75 N3 Nb O P -","- C50 H75 N3 Nb O P -","- C200 H300 N12 Nb4 O4 P4 -","4","1","","Joshua S. Figueroa; Christopher C. Cummins","Phosphaalkynes from Acid Chlorides via P for O(Cl) Metathesis: A Recyclable Niobium Phosphide (P3-) Reagent that Effects C-P Triple-Bond Formation","Journal of the American Chemical Society","2004","126","","13916","13917","10.1021/ja0461522","","","0.71073","MoKα","","0.1362","0.0906","","","0.1833","0.2001","","","","","","1.102","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113117","14.457","0.003","14.65","0.003","16.026","0.003","73.246","0.004","67.638","0.004","69.852","0.004","2898.2","1","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H74 B2 N4 O2 -","- C70 H74 B2 N4 O2 -","- C140 H148 B4 N8 O4 -","2","1","","Puhong Liao; Mikhail E. Itkis; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","Light-Mediated C-C σ-Bond Driven Crystallization of a Phenalenyl Radical Dimer","Journal of the American Chemical Society","2004","126","","14297","14302","10.1021/ja046243z","","","0.71073","MoKα","","0.084","0.0531","","","0.1369","0.1631","","","","","","1.027","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113118","17.323","0.003","20.281","0.005","9.7394","0.0017","90","","93.74","0.006","90","","3414.4","1.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 B N2 O2 -","- C42 H48 B N2 O2 -","- C168 H192 B4 N8 O8 -","4","1","","Puhong Liao; Mikhail E. Itkis; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","Light-Mediated C-C σ-Bond Driven Crystallization of a Phenalenyl Radical Dimer","Journal of the American Chemical Society","2004","126","","14297","14302","10.1021/ja046243z","","","0.71073","MoKα","","0.1166","0.0671","","","0.1777","0.2084","","","","","","1.027","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113119","9.135","0.0015","12.826","0.002","15.925","0.003","103.674","0.004","98.411","0.004","103.936","0.004","1718.3","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H96 B2 N4 O4 -","- C84 H96 B2 N4 O4 -","- C84 H96 B2 N4 O4 -","1","0.5","","Puhong Liao; Mikhail E. Itkis; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","Light-Mediated C-C σ-Bond Driven Crystallization of a Phenalenyl Radical Dimer","Journal of the American Chemical Society","2004","126","","14297","14302","10.1021/ja046243z","","","0.71073","MoKα","","0.0821","0.0506","","","0.1249","0.1468","","","","","","1.019","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113120","27.6536","0.0012","35.0945","0.0013","20.6","0.0008","90","","90","","90","","19992.1","1.4","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Compound DL098","","","- C54 H198 K N9 Na2 O168 W36 -","- C51 H115.5 K N8.5 Na2 O167.8 W36 -","- C204 H462 K4 N34 Na8 O671.2 W144 -","4","0.5","","De-Liang Long; Hamera Abbas; Paul Kögerler; Leroy Cronin","A High-Nuclearity ""Celtic-Ring"" Isopolyoxotungstate, [H12W36O120]12-, That Captures Trace Potassium Ions","Journal of the American Chemical Society","2004","126","","13880","13881","10.1021/ja046410v","","","0.71073","MoKα","","0.1475","0.0571","","","0.0988","0.122","","","","","","0.989","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113121","17.2213","0.0005","17.2213","0.0005","10.7164","0.0004","90","","90","","90","","3178.2","0.18","150","2","150","2","","","","","","","","6","I -4","I -4","82","Compound DL121","","","- C24 H66 K2 N4 O52 W12 -","- C24 H66 K2 N4 O52 W12 -","- C48 H132 K4 N8 O104 W24 -","2","0.25","","De-Liang Long; Hamera Abbas; Paul Kögerler; Leroy Cronin","A High-Nuclearity ""Celtic-Ring"" Isopolyoxotungstate, [H12W36O120]12-, That Captures Trace Potassium Ions","Journal of the American Chemical Society","2004","126","","13880","13881","10.1021/ja046410v","","","0.71073","MoKα","","0.0252","0.0222","","","0.0425","0.0432","","","","","","1.061","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113122","22.9618","0.0003","14.7301","0.0002","22.6265","0.0004","90","","90","","90","","7653","0.2","120","2","120","2","","","","","","","","5","C m c 21","C 2c -2","36","Compound HA162","","","- C36 H98 N6 O58 W12 -","- C36 H60 N6 O58 W12 -","- C144 H240 N24 O232 W48 -","4","0.5","","De-Liang Long; Hamera Abbas; Paul Kögerler; Leroy Cronin","A High-Nuclearity ""Celtic-Ring"" Isopolyoxotungstate, [H12W36O120]12-, That Captures Trace Potassium Ions","Journal of the American Chemical Society","2004","126","","13880","13881","10.1021/ja046410v","","","0.71073","MoKα","","0.041","0.0297","","","0.0638","0.0667","","","","","","1.027","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113123","10.411","0.002","17.363","0.004","13.854","0.002","90","","92.125","0.015","90","","2502.6","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N3 Te -","- C30 H25 N3 Te -","- C120 H100 N12 Te4 -","4","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn; Ingo Schwab","Organotellurium(VI) Azides and Halides","Journal of the American Chemical Society","2004","126","","14166","14175","10.1021/ja046637q","","","0.71073","MoKα","","0.0403","0.0309","","0.0848","0.0796","","","","1.165","1.189","1.189","","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113124","8.35","0.0015","27.805","0.006","9.803","0.002","90","","114.597","0.013","90","","2069.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N6 Te -","- C24 H16 N6 Te -","- C96 H64 N24 Te4 -","4","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn; Ingo Schwab","Organotellurium(VI) Azides and Halides","Journal of the American Chemical Society","2004","126","","14166","14175","10.1021/ja046637q","","","0.71073","MoKα","","0.0398","0.0267","","0.0627","0.0575","","","","1.111","1.142","1.142","","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113125","6.6539","0.0009","7.2989","0.001","7.8195","0.0011","60.502","0.013","66.843","0.012","69.29","0.011","297.77","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 F4 Te -","- C12 H10 F4 Te -","- C12 H10 F4 Te -","1","0.5","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn; Ingo Schwab","Organotellurium(VI) Azides and Halides","Journal of the American Chemical Society","2004","126","","14166","14175","10.1021/ja046637q","","","0.71073","MoKα","","0.022","0.022","","0.054","0.054","","","","1.168","1.168","1.168","","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113126","9.5099","0.0004","9.5868","0.0004","9.5449","0.0004","90","","114.459","0.001","90","","792.11","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 I N2 -","- C18 H19 I N2 -","- C36 H38 I2 N4 -","2","1","","Audris Huang; Jeremy J. Kodanko; Larry E. Overman","Asymmetric Synthesis of Pyrrolidinoindolines. Application for the Practical Total Synthesis of (-)-Phenserine","Journal of the American Chemical Society","2004","126","","14043","14053","10.1021/ja046690e","","","0.71073","MoKα","","0.0154","0.0151","","","0.0384","0.0386","","","","","","1.034","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113127","11.0019","0.0019","22.129","0.004","12.341","0.002","90","","91.705","0.003","90","","3003.2","0.9","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Br2 N2 O4 -","- C31 H38 Br2 N2 O4 -","- C124 H152 Br8 N8 O16 -","4","1","","Audris Huang; Jeremy J. Kodanko; Larry E. Overman","Asymmetric Synthesis of Pyrrolidinoindolines. Application for the Practical Total Synthesis of (-)-Phenserine","Journal of the American Chemical Society","2004","126","","14043","14053","10.1021/ja046690e","","","0.71073","MoKα","","0.0836","0.0479","","","0.111","0.1253","","","","","","1.027","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113128","25.169","0.003","15.018","0.003","19.429","0.004","90","","93.3","0.02","90","","7332","2","100","","100","","","","","","","","synthetic","5","C 1 2 1","C 2y","5","Ba@C74","endohedral Barium fullerene [74]","","- C122 H56 Ba Co N4 -","- C122 Ba Co N4 -","- C488 Ba4 Co4 N16 -","4","1","","Andreas Reich; Martin Panthöfer; Hartwig Modrow; Ulrich Wedig; Martin Jansen","The Structure of Ba@C74","Journal of the American Chemical Society","2004","126","","14428","14434","10.1021/ja0401693","","x-ray","0.643","synchrotron","","0.265","0.1309","","","0.1455","0.1862","","","","2.93","2.93","2.44","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113129","9.725","0.005","10.608","0.005","11.225","0.005","79.6","0.005","67.79","0.005","71.001","0.005","1011.5","0.8","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C18 H35 B O3 -","- C18 H35 B O3 -","- C36 H70 B2 O6 -","2","1","","Masaharu Nakamura; Takuji Hatakeyama; Kenji Hara; Hiroki Fukudome; Eiichi Nakamura","Sequential Coupling of Zincated Hydrazone, Alkenylboronate, and Electrophile That Creates Several Contiguous Stereogenic Centers","Journal of the American Chemical Society","2004","126","","14344","14345","10.1021/ja044878s","","x-ray","0.71069","MoKα","","0.2049","0.1816","","","0.441","0.5057","","","","","","1.816","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113130","6.891","0.0004","16.614","0.0012","24.756","0.0017","90","","95.8","0.004","90","","2819.7","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 B N2 O3 -","- C26 H47 B N2 O3 -","- C104 H188 B4 N8 O12 -","4","1","","Masaharu Nakamura; Takuji Hatakeyama; Kenji Hara; Hiroki Fukudome; Eiichi Nakamura","Sequential Coupling of Zincated Hydrazone, Alkenylboronate, and Electrophile That Creates Several Contiguous Stereogenic Centers","Journal of the American Chemical Society","2004","126","","14344","14345","10.1021/ja044878s","","x-ray","0.71073","MoKα","","0.0939","0.0762","","","0.2186","0.2461","","","","","","1.052","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113131","9.744","0.001","12.409","0.0008","15.523","0.0015","91.937","0.005","105.989","0.004","107.197","0.005","1710","0.3","153","2","153","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C40 H44 O4 -","- C40 H44 O4 -","- C80 H88 O8 -","2","1","","Masaharu Nakamura; Takuji Hatakeyama; Kenji Hara; Hiroki Fukudome; Eiichi Nakamura","Sequential Coupling of Zincated Hydrazone, Alkenylboronate, and Electrophile That Creates Several Contiguous Stereogenic Centers","Journal of the American Chemical Society","2004","126","","14344","14345","10.1021/ja044878s","","x-ray","0.71073","MoKα","","0.1042","0.0864","","","0.2585","0.283","","","","","","1.083","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113132","11.2403","0.0013","14.5902","0.001","13.2472","0.0009","90","","98.325","0.007","90","","2149.6","0.3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cu(I)PETAEA","","","- C23 H27 Cu N4 O2 S -","- C23 H27 Cu N4 O2 S -","- C92 H108 Cu4 N16 O8 S4 -","4","1","","Jocelyn M. Goodwin; Marilyn M. Olmstead; Timothy E. Patten","Identification and Characterization of Monoanionic Tripodal Tetradentate Ligand Complexes of Copper(I) and Copper(II) Involved in Halogen Atom Transfer Reactions","Journal of the American Chemical Society","2004","126","","14352","14353","10.1021/ja045003g","","","1.54178","CuKα","","0.0747","0.0506","","","0.1104","0.1241","","","","","","1.022","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113133","9.156","0.002","10.049","0.003","30.571","0.008","90","","96.566","0.006","90","","2794.3","1.3","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","BrCu(PETAEA)^.^THF","","","- C27 H35 Br Cu N4 O3 S -","- C27 H35 Br Cu N4 O3 S -","- C108 H140 Br4 Cu4 N16 O12 S4 -","4","1","","Jocelyn M. Goodwin; Marilyn M. Olmstead; Timothy E. Patten","Identification and Characterization of Monoanionic Tripodal Tetradentate Ligand Complexes of Copper(I) and Copper(II) Involved in Halogen Atom Transfer Reactions","Journal of the American Chemical Society","2004","126","","14352","14353","10.1021/ja045003g","","","0.71073","MoKα","","0.1517","0.0561","","","0.1038","0.1266","","","","","","0.811","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113134","9.021","0.001","11.1799","0.0008","13.772","0.002","104.489","0.004","106.513","0.001","102.553","0.002","1225.5","0.2","294.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N3 O6 -","- C26 H25 N3 O6 -","- C52 H50 N6 O12 -","2","1","","Masanari Kimura; Atsuko Miyachi; Keisuke Kojima; Shuji Tanaka; Yoshinao Tamaru","Highly Stereo- and Regioselective Ni-Catalyzed Homoallylation of Aldimines with Conjugated Dienes Promoted by Diethylzinc","Journal of the American Chemical Society","2004","126","","14360","14361","10.1021/ja0450354","","","0.7107","MoKα","","","0.0681","","","","0.2053","","","","","","2.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113135","9.321","0.001","10.529","0.002","13.773","0.002","101.263","0.001","102.727","0.001","109.344","0.004","1190","0.3","295.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N3 O7 -","- C24 H23 N3 O7 -","- C48 H46 N6 O14 -","2","1","","Masanari Kimura; Atsuko Miyachi; Keisuke Kojima; Shuji Tanaka; Yoshinao Tamaru","Highly Stereo- and Regioselective Ni-Catalyzed Homoallylation of Aldimines with Conjugated Dienes Promoted by Diethylzinc","Journal of the American Chemical Society","2004","126","","14360","14361","10.1021/ja0450354","","","0.7107","MoKα","","","0.0546","","","","0.1166","","","","","","1.923","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113136","9.87","0.001","11.484","0.001","11.648","0.001","81.769","0.003","79.671","0.002","65.0219","0.0008","1174.01","0.19","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 N3 O6 -","- C23 H27 N3 O6 -","- C46 H54 N6 O12 -","2","1","","Masanari Kimura; Atsuko Miyachi; Keisuke Kojima; Shuji Tanaka; Yoshinao Tamaru","Highly Stereo- and Regioselective Ni-Catalyzed Homoallylation of Aldimines with Conjugated Dienes Promoted by Diethylzinc","Journal of the American Chemical Society","2004","126","","14360","14361","10.1021/ja0450354","","","0.7107","MoKα","","","0.054","","","","0.1724","","","","","","2.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113137","9.4444","0.0004","10.749","0.001","13.384","0.002","100.714","0.004","100.568","0.003","109.558","0.002","1212.9","0.2","297.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N3 O7 -","- C25 H25 N3 O7 -","- C50 H50 N6 O14 -","2","1","","Masanari Kimura; Atsuko Miyachi; Keisuke Kojima; Shuji Tanaka; Yoshinao Tamaru","Highly Stereo- and Regioselective Ni-Catalyzed Homoallylation of Aldimines with Conjugated Dienes Promoted by Diethylzinc","Journal of the American Chemical Society","2004","126","","14360","14361","10.1021/ja0450354","","","0.7107","MoKα","","","0.0612","","","","0.1882","","","","","","1.616","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113138","11.536","0.002","14.0279","0.0017","14.279","0.003","94.746","0.018","111.785","0.015","108.13","0.012","1987.1","0.7","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C74 H68 B2 Cl8 F8 O4 P4 Rh2 S2 -","- C74 H68 B2 Cl8 F8 O4 P4 Rh2 S2 -","- C74 H68 B2 Cl8 F8 O4 P4 Rh2 S2 -","1","0.5","","Aaron M. Brown; Maxim V. Ovchinnikov; Charlotte L. Stern; Chad A. Mirkin","Halide-Induced Supramolecular Ligand Rearrangement","Journal of the American Chemical Society","2004","126","","14316","14317","10.1021/ja045316b","","","0.71073","MoKα","","0.0642","0.0497","","","0.1329","0.1443","","","","","","1.105","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113139","9.8954","0.0006","12.8828","0.0008","17.6478","0.0011","68.85","0.001","89.356","0.001","81.645","0.001","2073.9","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H80 Cl10 O2 P4 Rh2 S2 -","- C84 H80 Cl10 O2 P4 Rh2 S2 -","- C84 H80 Cl10 O2 P4 Rh2 S2 -","1","0.5","","Aaron M. Brown; Maxim V. Ovchinnikov; Charlotte L. Stern; Chad A. Mirkin","Halide-Induced Supramolecular Ligand Rearrangement","Journal of the American Chemical Society","2004","126","","14316","14317","10.1021/ja045316b","","","0.71073","MoKα","","0.0508","0.0439","","","0.1199","0.1262","","","","","","1.063","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113140","32.486","0.006","32.486","0.006","12.05","0.003","90","","90","","90","","12717","5","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C68 H64 Cl2 O4 P4 Rh2 S2 -","- C68 H64 Cl2 O4 P4 Rh2 S2 -","- C544 H512 Cl16 O32 P32 Rh16 S16 -","8","0.5","","Aaron M. Brown; Maxim V. Ovchinnikov; Charlotte L. Stern; Chad A. Mirkin","Halide-Induced Supramolecular Ligand Rearrangement","Journal of the American Chemical Society","2004","126","","14316","14317","10.1021/ja045316b","","","0.71073","MoKα","","0.2825","0.1324","","","0.2799","0.3427","","","","","","1.006","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113141","6.968","0.0002","10.4305","0.0002","11.6086","0.0003","90","","91.368","0.002","90","","843.47","0.04","100","2","100","2","","","","","","","synthesis","3","P 1 21 1","P 2yb","4","","3,4-diisopropylidene-6-(4-methoxyphenyl)cycloheptanone","","- C20 H26 O2 -","- C20 H26 O2 -","- C40 H52 O4 -","2","1","","José Barluenga; Rubén Vicente; Pablo Barrio; Luis A. López; Miguel Tomás; Javier Borge","Specific Synthesis of 1,2- and 1,3-Dialkylidenecycloheptanes by [3+2+2] Cyclization of Alkenyl Fischer Carbene Complexes and Allenes","Journal of the American Chemical Society","2004","126","","14354","14355","10.1021/ja045459y","","","1.54184","CuKα","","0.059","0.0563","","","0.1574","0.1614","","","","","","1.085","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113142","21.563","0.0002","9.077","0.0002","10.099","0.0007","90","","101.49","0.0011","90","","1937.04","0.14","293","2","293","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","6-ferrocenyl-2-4-diisopropylidenecycloheptanone","","- C23 H28 Fe O -","- C23 H28 Fe O -","- C92 H112 Fe4 O4 -","4","1","","José Barluenga; Rubén Vicente; Pablo Barrio; Luis A. López; Miguel Tomás; Javier Borge","Specific Synthesis of 1,2- and 1,3-Dialkylidenecycloheptanes by [3+2+2] Cyclization of Alkenyl Fischer Carbene Complexes and Allenes","Journal of the American Chemical Society","2004","126","","14354","14355","10.1021/ja045459y","","","0.71073","MoKα","","0.0897","0.0583","","","0.1525","0.1777","","","","","","1.056","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113143","10.7711","0.0012","23.42","0.003","11.5021","0.0012","90","","112.638","0.002","90","","2678","0.5","168","2","168","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Er2 N6 O2 Si8 -","- C32 H88 Er2 N6 O2 Si8 -","- C64 H176 Er4 N12 O4 Si16 -","2","0.5","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0361","0.0315","","","0.0789","0.0817","","","","","","1.089","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113144","10.8206","0.0008","23.4274","0.0016","11.5654","0.0008","90","","112.641","0.001","90","","2705.9","0.3","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 N6 O2 Si8 Tb2 -","- C32 H88 N6 O2 Si8 Tb2 -","- C64 H176 N12 O4 Si16 Tb4 -","2","0.5","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0251","0.0234","","","0.0502","0.0507","","","","","","1.159","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113145","10.8414","0.0018","23.469","0.004","11.5946","0.0019","90","","112.585","0.003","90","","2723.9","0.8","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Gd2 N6 O2 Si8 -","- C32 H88 Gd2 N6 O2 Si8 -","- C64 H176 Gd4 N12 O4 Si16 -","2","0.5","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0312","0.0223","","","0.047","0.05","","","","","","1.068","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113146","47.804","0.005","23.067","0.002","24.033","0.003","90","","90","","90","","26501","5","163","2","163","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C44 H114 Ce N4 Na O5 Si8 -","- C44 H72 Ce N4 Na O5 Si8 -","- C704 H1152 Ce16 N64 Na16 O80 Si128 -","16","2","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0941","0.0608","","","0.1411","0.1657","","","","","","1.065","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113147","26.627","0.003","30.59","0.003","17.3452","0.0019","90","","91.169","0.002","90","","14125","3","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H120 K N4 O6 Pr Si8 -","- C48 H120 K N4 O6 Pr Si8 -","- C384 H960 K8 N32 O48 Pr8 Si64 -","8","1","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.126","0.0904","","","0.2576","0.2878","","","","","","1.071","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113148","26.623","0.003","30.624","0.003","17.3572","0.0017","90","","91.339","0.002","90","","14148","3","163","2","163","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H120 K La N4 O6 Si8 -","- C48 H120 K La N4 O6 Si8 -","- C384 H960 K8 La8 N32 O48 Si64 -","8","1","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0987","0.0662","","","0.1806","0.2144","","","","","","1.06","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113149","10.897","0.0005","23.5933","0.001","11.687","0.0005","90","","112.687","0.001","90","","2772.2","0.2","175","2","175","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 N6 Nd2 O2 Si8 -","- C32 H88 N6 Nd2 O2 Si8 -","- C64 H176 N12 Nd4 O4 Si16 -","2","0.5","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0202","0.0186","","","0.0454","0.0461","","","","","","1.1","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113150","26.63","0.005","30.601","0.005","17.379","0.003","90","","91.613","0.003","90","","14157","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H120 K N4 O6 Si8 U -","- C48 H120 K N4 O6 Si8 U -","- C384 H960 K8 N32 O48 Si64 U8 -","8","1","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.1083","0.0578","","","0.1446","0.1785","","","","","","1.05","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113151","17.3074","0.0016","10.7815","0.001","23.129","0.002","90","","94.617","0.002","90","","4301.9","0.7","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C49 H73 U2 -","- C49 H73 U2 -","- C196 H292 U8 -","4","1","","William J. Evans; Stosh A. Kozimor; Joseph W. Ziller; Nikolas Kaltsoyannis","Structure, Reactivity, and Density Functional Theory Analysis of the Six-Electron Reductant, [(C5Me5)2U]2(μ-η6:η6-C6H6), Synthesized via a New Mode of (C5Me5)3M Reactivity","Journal of the American Chemical Society","2004","126","","14533","14547","10.1021/ja0463886","","","0.71073","MoKα","","0.0925","0.0646","","","0.165","0.191","","","","","","1.088","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113152","8.603","0.0016","11.624","0.002","13.269","0.003","107.46","0.003","99.515","0.003","90.328","0.003","1246.2","0.4","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H86 N2 Si4 U2 -","- C44 H86 N2 Si4 U2 -","- C44 H86 N2 Si4 U2 -","1","0.5","","William J. Evans; Stosh A. Kozimor; Joseph W. Ziller; Nikolas Kaltsoyannis","Structure, Reactivity, and Density Functional Theory Analysis of the Six-Electron Reductant, [(C5Me5)2U]2(μ-η6:η6-C6H6), Synthesized via a New Mode of (C5Me5)3M Reactivity","Journal of the American Chemical Society","2004","126","","14533","14547","10.1021/ja0463886","","","0.71073","MoKα","","0.0186","0.0168","","","0.0432","0.052","","","","","","1.174","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113153","12.932","0.002","17.383","0.002","19.398","0.002","90","","90","","90","","4360.6","1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C192 H208 N16 O24 -","8","2","","Klas Källström; Christian Hedberg; Peter Brandt; Annette Bayer; Pher G. Andersson","Rationally Designed Ligands for Asymmetric Iridium-Catalyzed Hydrogenation of Olefins","Journal of the American Chemical Society","2004","126","","14308","14309","10.1021/ja0464241","","","0.71069","MoKα","","0.0907","0.0355","","","0.0814","0.0954","","","","","","0.989","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113154","14.244","0.007","19.825","0.01","19.945","0.01","90","","90","","90","","5632","5","100","2","273","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C62 H65 Cl2 Fe2 N2 Ni O8 P3 -","- C62 H65 Cl2 Fe2 N2 Ni O8 P3 -","- C248 H260 Cl8 Fe8 N8 Ni4 O32 P12 -","4","1","","Aaron D. Sadow; Isabelle Haller; Luca Fadini; Antonio Togni","Nickel(II)-Catalyzed Highly Enantioselective Hydrophosphination of Methacrylonitrile","Journal of the American Chemical Society","2004","126","","14704","14705","10.1021/ja0449574","","","0.71073","MoKα","","0.0418","0.0385","","","0.0926","0.0941","","","","","","1.092","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113155","8.9815","0.0006","15.1441","0.0011","19.2553","0.0014","90","","90","","90","","2619","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 Cl N2 P Pd -","- C26 H40 Cl N2 P Pd -","- C104 H160 Cl4 N8 P4 Pd4 -","4","1","","Aaron D. Sadow; Isabelle Haller; Luca Fadini; Antonio Togni","Nickel(II)-Catalyzed Highly Enantioselective Hydrophosphination of Methacrylonitrile","Journal of the American Chemical Society","2004","126","","14704","14705","10.1021/ja0449574","","","0.71073","MoKα","","0.0356","0.0342","","","0.0826","0.0831","","","","","","1.052","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113156","11.44","0.002","16.326","0.003","41.174","0.008","90","","90","","90","","7690","2","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H57 Cl N2 P Pd -","- C44 H57 Cl N2 P Pd -","- C352 H456 Cl8 N16 P8 Pd8 -","8","2","","Aaron D. Sadow; Isabelle Haller; Luca Fadini; Antonio Togni","Nickel(II)-Catalyzed Highly Enantioselective Hydrophosphination of Methacrylonitrile","Journal of the American Chemical Society","2004","126","","14704","14705","10.1021/ja0449574","","","0.71073","MoKα","","0.1526","0.09","","","0.1237","0.1431","","","","","","0.983","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113157","20.526","0.014","3.718","0.003","15.506","0.01","90","","106.681","0.01","90","","1133.6","1.4","323","2","323","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","PDTA","1,3,2-Dithiazolo[4,5-b]pyrazin-2-yl","","- C4 H2 N3 S2 -","- C4 H2 N3 S2 -","- C32 H16 N24 S16 -","8","1","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistability and the Phase Transition in 1,3,2-Dithiazolo[4,5-b]pyrazin-2-yl","Journal of the American Chemical Society","2004","126","","14692","14693","10.1021/ja044979q","","","0.71073","MoKα","","0.1927","0.0792","","","0.1566","0.1913","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113158","7.052","0.0013","7.9277","0.0013","11.4931","0.0014","69.953","0.002","75.202","0.011","76.34","0.01","575.72","0.16","323","2","323","2","","","","","","","","4","P -1","-P 1","2","PDTA","1,3,2-Dithiazolo[4,5-b]pyrazin-2-yl","","- C4 H2 N3 S2 -","- C4 H2 N3 S2 -","- C16 H8 N12 S8 -","4","2","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistability and the Phase Transition in 1,3,2-Dithiazolo[4,5-b]pyrazin-2-yl","Journal of the American Chemical Society","2004","126","","14692","14693","10.1021/ja044979q","","","0.71073","MoKα","","0.1139","0.0565","","","0.0993","0.1124","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113159","12.4276","0.0018","17.482","0.002","22.792","0.003","108.535","0.004","93.198","0.006","110.092","0.006","4332.8","1","93","2","93","2","","","","","","","","7","P -1","-P 1","2","(Et4N)[Ni(NpPepS)Cu(neo)].0.5Et2O.0.5H2O","","","- C48 H49.5 Cu N5 Ni O3 S2 -","- C48 H48.5 Cu N5 Ni O3 S2 -","- C192 H194 Cu4 N20 Ni4 O12 S8 -","4","2","","Todd C. Harrop; Marilyn M. Olmstead; Pradip K. Mascharak","Structural Models of the Bimetallic Subunit at the A-Cluster of Acetyl Coenzyme A Synthase/CO Dehydrogenase: Binuclear Sulfur-Bridged Ni-Cu and Ni-Ni Complexes and Their Reactions with CO","Journal of the American Chemical Society","2004","126","","14714","14715","10.1021/ja045284s","","","0.71073","MoKα","","0.1228","0.0573","","","0.1332","0.1705","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113160","14.0656","0.0005","17.3249","0.0006","17.537","0.0006","90","","90.61","0.003","90","","4273.3","0.3","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Ni(PhPepS)Ni(dppe)].CH2Cl2","","","- C47 H38 Cl2 N2 Ni2 O2 P2 S2 -","- C47 H38 Cl2 N2 Ni2 O2 P2 S2 -","- C188 H152 Cl8 N8 Ni8 O8 P8 S8 -","4","1","","Todd C. Harrop; Marilyn M. Olmstead; Pradip K. Mascharak","Structural Models of the Bimetallic Subunit at the A-Cluster of Acetyl Coenzyme A Synthase/CO Dehydrogenase: Binuclear Sulfur-Bridged Ni-Cu and Ni-Ni Complexes and Their Reactions with CO","Journal of the American Chemical Society","2004","126","","14714","14715","10.1021/ja045284s","","","0.71073","MoKα","","0.0461","0.0312","","","0.0723","0.0793","","","","","","1.001","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113161","12.6126","0.0009","19.7239","0.0014","14.6251","0.001","90","","109.9","0.006","90","","3421","0.4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Et4N)2[Ni(PhPepS)]","","","- C36 H52 N4 Ni O2 S2 -","- C36 H52 N4 Ni O2 S2 -","- C144 H208 N16 Ni4 O8 S8 -","4","1","","Todd C. Harrop; Marilyn M. Olmstead; Pradip K. Mascharak","Structural Models of the Bimetallic Subunit at the A-Cluster of Acetyl Coenzyme A Synthase/CO Dehydrogenase: Binuclear Sulfur-Bridged Ni-Cu and Ni-Ni Complexes and Their Reactions with CO","Journal of the American Chemical Society","2004","126","","14714","14715","10.1021/ja045284s","","","0.71073","MoKα","","0.078","0.0449","","","0.1029","0.1164","","","","","","1.01","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113162","9.1642","0.0018","15.136","0.003","20.242","0.004","90","","96.767","0.004","90","","2788.2","1","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 Cl6 Cr2 N2 P4 -","- C60 H50 Cl6 Cr2 N2 P4 -","- C120 H100 Cl12 Cr4 N4 P8 -","2","0.5","","Annette Bollmann; Kevin Blann; John T. Dixon; Fiona M. Hess; Esna Killian; Hulisani Maumela; David S. McGuinness; David H. Morgan; Arno Neveling; Stefanus Otto; Matthew Overett; Alexandra M. Z. Slawin; Peter Wasserscheid; Sven Kuhlmann","Ethylene Tetramerization: A New Route to Produce 1-Octene in Exceptionally High Selectivities","Journal of the American Chemical Society","2004","126","","14712","14713","10.1021/ja045602n","","","0.71073","MoKα","","0.2176","0.0711","","","0.1012","0.1366","","","","","","0.867","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113163","16.4403","0.0013","8.5815","0.0007","17.9757","0.0014","90","","112.649","0.002","90","","2340.5","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 N4 Ti -","- C24 H38 N4 Ti -","- C96 H152 N16 Ti4 -","4","0.5","","Tamara E. Hanna; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Activation by Titanium Sandwich Complexes","Journal of the American Chemical Society","2004","126","","14688","14689","10.1021/ja045884r","","","0.71073","MoKα","","0.0675","0.0428","","","0.0983","0.1077","","","","","","1.03","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113164","16.1895","0.0013","10.3998","0.0009","21.2941","0.0018","90","","92.68","0.002","90","","3581.3","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","CP3","1,8-Bis(3,3'-bis(3,5-dimethylphenyl)-9,9'-diacridyl) naphthalene","","- C52 H38 N2 -","- C52 H38 N2 -","- C208 H152 N8 -","4","0.5","","Xuefeng Mei; Christian Wolf","Enantioselective Sensing of Chiral Carboxylic Acids","Journal of the American Chemical Society","2004","126","","14736","14737","10.1021/ja0459781","","","0.71073","MoKα","","0.0697","0.0485","","","0.1122","0.119","","","","","","1.087","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113165","30.8915","0.0015","13.9299","0.0007","26.4715","0.0013","90","","107.957","0.001","90","","10836.2","0.9","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Mo2(DAniF)3]2(C4H6N2O2),4(ClCH2CH2Cl)","","","- C102 H112 Cl8 Mo4 N14 O14 -","- C102 H112 Cl8 Mo4 N14 O14 -","- C408 H448 Cl32 Mo16 N56 O56 -","4","1","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Strong Electronic Coupling between Dimolybdenum Units Linked by the N,N'-Dimethyloxamidate Anion in a Molecule Having a Heteronaphthalene-like Structure","Journal of the American Chemical Society","2004","126","","14822","14831","10.1021/ja046775f","","","0.71073","MoKα","","0.0584","0.0443","","","0.0999","0.1096","","","","","","1.113","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113166","14.3138","0.0012","15.6456","0.0014","29.435","0.003","74.917","0.0017","77.5606","0.0019","80.3525","0.0018","6171.8","1","213","2","213","2","","","","","","","","7","P -1","-P 1","2","[Mo2(DAniF)3]2(C4H6N2O2)(PF6),6(THF)","","","- C118 H144 F6 Mo4 N14 O20 P -","- C118 H144 F6 Mo4 N14 O20 P -","- C236 H288 F12 Mo8 N28 O40 P2 -","2","1","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Strong Electronic Coupling between Dimolybdenum Units Linked by the N,N'-Dimethyloxamidate Anion in a Molecule Having a Heteronaphthalene-like Structure","Journal of the American Chemical Society","2004","126","","14822","14831","10.1021/ja046775f","","","0.71073","MoKα","","0.1505","0.0888","","","0.1783","0.2032","","","","","","1.104","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113167","12.4174","0.0012","15.1905","0.0015","15.8439","0.0016","103.991","0.002","90.298","0.002","109.837","0.002","2715.4","0.5","213","2","213","2","","","","","","","","8","P -1","-P 1","2","[Mo2(DAniF)3]2(dimethyloxamidate)(PF6)2,3(CH2Cl2)","","","- C97 H102 Cl6 F12 Mo4 N14 O14 P2 -","- C97 H96 Cl6 F12 Mo4 N14 O14 P2 -","- C97 H96 Cl6 F12 Mo4 N14 O14 P2 -","1","0.5","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Strong Electronic Coupling between Dimolybdenum Units Linked by the N,N'-Dimethyloxamidate Anion in a Molecule Having a Heteronaphthalene-like Structure","Journal of the American Chemical Society","2004","126","","14822","14831","10.1021/ja046775f","","","0.71073","MoKα","","0.0368","0.0305","","","0.0775","0.0834","","","","","","1.049","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113168","17.4197","0.0004","14.6308","0.0003","32.8142","0.0003","90","","90","","90","","8363.2","0.3","163.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 P2 Re -","- C18 H39 P2 Re -","- C288 H624 P32 Re16 -","16","2","","Jennifer R. Krumper; Richard L. Martin; P. Jeffrey Hay; Cathleen M. Yung; John Veltheer; Robert G. Bergman","Synthesis and Reactivity of the Hydrido- and Alkylrhenium Methylidene Complexes Cp*(PMe3)2(R)ReCH2 (R = H, CH3)","Journal of the American Chemical Society","2004","126","","14804","14815","10.1021/ja0468877","","","0.7107","MoKα","","","0.0326","","","","0.0394","","","","","","1.559","","","","has coordinates","295474","2024-10-14","09:36:04",""
"4113169","12.2338","0.0003","12.9077","0.0003","18.1496","0.0004","102.179","0.001","93.149","0.001","96.009","0.001","2777.35","0.11","170.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H50 B F24 P2 Re -","- C50 H50 B F24 P2 Re -","- C100 H100 B2 F48 P4 Re2 -","2","1","","Jennifer R. Krumper; Richard L. Martin; P. Jeffrey Hay; Cathleen M. Yung; John Veltheer; Robert G. Bergman","Synthesis and Reactivity of the Hydrido- and Alkylrhenium Methylidene Complexes Cp*(PMe3)2(R)ReCH2 (R = H, CH3)","Journal of the American Chemical Society","2004","126","","14804","14815","10.1021/ja0468877","","","0.7107","MoKα","","","0","","","","0.047","","","","","","1.929","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113170","13.614","0.007","14.605","0.007","19.985","0.01","89.78","0.01","88.377","0.009","87.122","0.01","3967","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C86 H126 O2 -","- C86 H126 O2 -","- C172 H252 O4 -","2","1","","Tinh-Alfredo V. Khuong; Gerardo Zepeda; Carlos N. Sanrame; Hung Dang; Michael D. Bartberger; K. N. Houk; Miguel A. Garcia-Garibay","Crankshaft Motion in a Highly Congested Bis(triarylmethyl)peroxide","Journal of the American Chemical Society","2004","126","","14778","14786","10.1021/ja046987c","","","0.71073","MoKα","","0.1021","0.0476","","","0.1077","0.1274","","","","","","0.912","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113171","23.117","0.0016","13.6467","0.0009","13.206","0.0009","90","","90.396","0.002","90","","4166","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H35 N3 O -","- C21 H35 N3 O -","- C168 H280 N24 O8 -","8","2","","Douglas C. Behenna; Brian M. Stoltz","The Enantioselective Tsuji Allylation","Journal of the American Chemical Society","2004","126","","15044","15045","10.1021/ja044812x","","","0.71073","MoKα","","0.1657","0.0873","","","0.149","0.1573","","","","","","1.972","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4113172","13.4105","0.0011","13.4433","0.0011","24.353","0.002","90","","90","","90","","4390.4","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 N3 O -","- C22 H37 N3 O -","- C176 H296 N24 O8 -","8","2","","Douglas C. Behenna; Brian M. Stoltz","The Enantioselective Tsuji Allylation","Journal of the American Chemical Society","2004","126","","15044","15045","10.1021/ja044812x","","","0.71073","MoKα","","0.133","0.0842","","","0.1195","0.1224","","","","","","2.208","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4113173","10.4025","0.0012","10.4025","0.0012","55.489","0.009","90","","90","","90","","6004.6","1.4","98","2","98","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C30 H36 B F4 N3 Pt -","- C30 H36 B F4 N3 Pt -","- C240 H288 B8 F32 N24 Pt8 -","8","1","","Alan F. Heyduk; Tom G. Driver; Jay A. Labinger; John E. Bercaw","Kinetic and Thermodynamic Preferences in Aryl vs Benzylic C-H Bond Activation with Cationic Pt(II) Complexes","Journal of the American Chemical Society","2004","126","","15034","15035","10.1021/ja045078k","","","0.71073","MoKα","","0.0318","0.0296","","","0.0629","0.0635","","","","","","1.227","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113174","15.2398","0.0003","11.5499","0.0002","20.1497","0.0004","90","","90","","90","","3546.71","0.12","100","","100","","","","","","","","dichloromethane/diethylether","6","P b c a","-P 2ac 2ab","61","IBiox5.HOTf","Dispiro(cyclopentane-1,3'-(1,3)oxazolo(3',2':3,4)imidazolo(5,1-b)(1,3) oxazole-7',1""-cyclopentane) trifluoromethylsulfonate","","- C16 H21 F3 N2 O5 S -","- C16 H21 F3 N2 O5 S -","- C128 H168 F24 N16 O40 S8 -","8","1","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0879","0.0591","","","0.1162","0.127","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113175","10.1279","0.0002","11.7194","0.0002","18.5299","0.0003","97.467","0.001","94.902","0.001","97.53","0.001","2150.13","0.07","100","","100","","","","","","","","dichloromethane/diethylether","6","P -1","-P 1","2","IBiox7.HOTf","cycloheptane-1,3'-(1,3)oxazolo(3',2':3,4)imidazoliumo(5,1-b)(1,3) oxazole-7',1""-cycloheptane trifluoromethylsulphonate","","- C20 H29 F3 N2 O5 S -","- C20 H28.773 F3 N2 O5 S -","- C80 H115.092 F12 N8 O20 S4 -","4","2","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.1373","0.078","","","0.1685","0.1968","","","","","","1.013","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113176","10.5042","0.0001","21.4698","0.0003","10.3191","0.0001","90","","96.415","0.001","90","","2312.62","0.05","100","","100","","","","","","","","dichloromethane/hexane/diethylether","6","P 1 21/c 1","-P 2ybc","14","IBiox8.HOTf","Dispiro(cyclooctanane-1,3'-(1,3)oxazolo(3',2':3,4)imidazolo(5,1-b)(1,3) oxazole-7',1""-cyclooctane) trifluoromethylsulfonate","","- C22 H33 F3 N2 O5 S -","- C22 H33 F3 N2 O5 S -","- C88 H132 F12 N8 O20 S4 -","4","1","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0567","0.0448","","","0.1232","0.1333","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113177","14.6777","0.0004","25.7698","0.0007","9.1906","0.0002","90","","90","","90","","3476.27","0.15","150","","150","","","","","","","","dichloromethane / heptane","7","P n m a","-P 2ac 2n","62","IBiox12.HOTf","4,7-di(spiro-cyclododecane)-6,9-dioxa-1,3-diazatricyclo[6.3.0.0^3,7^]- unadeca-7-ene-2-ium trifluoromethanesulfonate dichloromethane solvate","","- C31 H51 Cl2 F3 N2 O5 S -","- C31 H49 Cl1.98 F3 N2 O5 S -","- C124 H196 Cl7.92 F12 N8 O20 S4 -","4","0.5","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.1128","0.064","","","0.1455","0.1701","","","","","","1.041","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113178","13.1029","0.0002","9.5315","0.0001","16.4726","0.0002","90","","105.399","0.001","90","","1983.41","0.04","100","","100","","","","","","","","d6-benzene","6","P 1 21/n 1","-P 2yn","14","(IBiox6)Ir(CO)2Cl","Dispiro(cyclohexane-1,3'-(1,3)oxazolo(3',2':3,4)imidazolo(5,1-b)(1,3) oxazole-7',1""-cyclohexane-5'-ylidine))-dicarbonyl-chloro-iridium","","- C19 H24 Cl Ir N2 O4 -","- C19 H24 Cl Ir N2 O4 -","- C76 H96 Cl4 Ir4 N8 O16 -","4","1","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0305","0.0226","","","0.0569","0.0685","","","","","","1.177","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113179","13.2368","0.0002","11.6748","0.0001","13.6306","0.0001","90","","97.3395","0.0004","90","","2089.17","0.04","100","","100","","","","","","","","dichloromethane/hexane/ethylacetate","6","P 1 21/n 1","-P 2yn","14","((Ibiox7)PdCl2)2","Bis[Dispiro(cycloheptane-1,3'-(1,3)oxazolo(3',2':3,4)- imidazolo(5,1-b)(1,3)oxazole-7',1""-cycloheptane-5'-ylidine)-dichloro- palladium]","","- C38 H56 Cl4 N4 O4 Pd2 -","- C38 H56 Cl4 N4 O4 Pd2 -","- C76 H112 Cl8 N8 O8 Pd4 -","2","0.5","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0317","0.0282","","","0.0668","0.0687","","","","","","1.053","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113180","31.189","0.0017","8.7086","0.0004","23.9041","0.0011","90","","94.711","0.002","90","","6470.7","0.5","100","","100","","","","","","","","dichloromethane/hexane","6","C 1 2/c 1","-C 2yc","15","((Ibiox12)PdCl2)2 hexane sovate","Bis[dispiro(cyclododecane-1,3'-(1,3)oxazolo(3',2':3,4)imidazolo(5,1-b)(1,3) oxazole-7',1""-cyclododecane-5'-ylidine)-dichloro-palladium] hexane solvate","","- C66 H114.75 Cl4 N4 O4 Pd2 -","- C65.96 Cl4 N4 O4 Pd2 -","- C263.84 Cl16 N16 O16 Pd8 -","4","0.5","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.1362","0.082","","","0.191","0.2211","","","","","","1.044","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113181","9.2288","0.0002","9.9771","0.0002","17.2853","0.0003","90","","93.873","0.001","90","","1587.94","0.05","100","","100","","","","","","","","dichloromethane/pentane","6","P 1 21/c 1","-P 2ybc","14","IBiox(Me)4.HOTf","4,4,11,11-tetramethyl-6,9-dioxa-1,3-diazatricyclo[6.3.0.0^3,7^]undeca- 7-ene-2-onium trifluoromethanesulfonate","","- C12 H17 F3 N2 O5 S -","- C12 H17 F3 N2 O5 S -","- C48 H68 F12 N8 O20 S4 -","4","1","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0893","0.0552","","","0.1599","0.1878","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113182","19.699","0.002","13.0798","0.0015","17.734","0.002","90","","90","","90","","4569.3","0.9","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","01013b","","","- C29 H37 Br4 Cl3 S6 Si4 -","- C29 H37 Br4 Cl3 S6 Si4 -","- C116 H148 Br16 Cl12 S24 Si16 -","4","0.5","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.0796","0.0488","","","0.1113","0.133","","","","","","1.02","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113183","18.6063","0.0006","23.7325","0.0008","18.6074","0.0006","90","","90","","90","","8216.5","0.5","112","2","112","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 Br4 S6 Si4 -","- C28 H36 Br4 S6 Si4 -","- C224 H288 Br32 S48 Si32 -","8","1","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.039","0.0303","","","0.0676","0.0716","","","","","","1.031","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113184","8.1993","0.0003","10.5684","0.0004","18.3955","0.0007","91.34","0.001","92.771","0.001","110.617","0.001","1488.81","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 Br4 S14 Si4 -","- C50 H42 Br4 S14 Si4 -","- C50 H42 Br4 S14 Si4 -","1","0.5","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.0401","0.0295","","","0.0698","0.0736","","","","","","1.029","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113185","12.471","0.003","13.846","0.003","31.152","0.007","90","","90","","90","","5379","2","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Br2 S7 Si2 -","- C22 H18 Br2 S7 Si2 -","- C176 H144 Br16 S56 Si16 -","8","1","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.082","0.0678","","","0.1379","0.1421","","","","","","1.31","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113186","9.7758","0.0002","26.2874","0.0006","26.0709","0.0006","90","","100.202","0.001","90","","6593.8","0.3","109","2","109","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H55 Br6 Cl3 S9 Si6 -","- C43 H55 Br6 Cl3 S9 Si6 -","- C172 H220 Br24 Cl12 S36 Si24 -","4","1","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.0511","0.0326","","","0.0663","0.0713","","","","","","1.01","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113187","15.6127","0.0008","23.0208","0.0011","24.1039","0.0012","90","","105.807","0.001","90","","8335.7","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 Cl6 N4 O2 Zr2 -","- C37 H46 Cl6 N4 O2 Zr2 -","- C296 H368 Cl48 N32 O16 Zr16 -","8","2","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0655","0.0349","","","0.0796","0.0901","","","","","","1.007","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113188","17.627","0.003","7.7849","0.0012","14.749","0.002","90","","90","","90","","2023.9","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","[Cp2]Zr{PhN(CH2)3NPh}","","","- C25 H26 N2 Zr -","- C25 H26 N2 Zr -","- C100 H104 N8 Zr4 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0267","0.0265","","","0.064","0.0642","","","","","","1.146","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113189","43.912","0.007","16.786","0.003","11.467","0.002","90","","96.99","0.02","90","","8390","3","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C106 H102 N4 Si2 Zr2 -","- C106 H102 N4 Si2 Zr2 -","- C424 H408 N16 Si8 Zr8 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0792","0.0397","","","0.1023","0.122","","","","","","1.167","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113190","11.7007","0.0006","12.3073","0.0007","13.5053","0.0007","72.136","0.001","75.959","0.001","67.825","0.001","1696.3","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 N2 Si Zr -","- C44 H40 N2 Si Zr -","- C88 H80 N4 Si2 Zr2 -","2","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0476","0.0319","","","0.0678","0.0712","","","","","","1.011","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113191","21.165","0.008","15.453","0.004","11.026","0.003","90","","99.97","0.03","90","","3551.7","1.9","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 N2 Si Zr -","- C44 H42 N2 Si Zr -","- C176 H168 N8 Si4 Zr4 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0865","0.0545","","0.1636","","0.1334","","","1.1","","","1.058","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113192","12.8839","0.0009","14.7635","0.0009","17.5727","0.0012","90","","90","","90","","3342.5","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 N2 Si Zr -","- C44 H40 N2 Si Zr -","- C176 H160 N8 Si4 Zr4 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0687","0.041","","","0.0527","0.0567","","","","","","0.916","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113193","10.3355","0.0006","12.1037","0.0007","14.8777","0.0008","93.503","0.001","97.219","0.001","107.125","0.001","1755.08","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H42 N2 Si Zr -","- C45 H42 N2 Si Zr -","- C90 H84 N4 Si2 Zr2 -","2","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0808","0.0453","","","0.0751","0.0814","","","","","","1.01","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113194","11.972","0.002","19.648","0.004","15.091","0.003","90","","109.265","0.003","90","","3351","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","rac-[Me2Si(indenyl)2]Zr{PhN(CH2)3NPh}","","","- C42 H42 N2 Si Zr -","- C42 H42 N2 Si Zr -","- C168 H168 N8 Si4 Zr4 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0464","0.0408","","","0.0923","0.0954","","","","","","1.101","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113195","31.469","0.006","10.855","0.002","14.079","0.004","90","","90","","90","","4809.3","1.9","213","2","213","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H32 Cl2 N2 O2 Zr -","- C22 H32 Cl2 N2 O2 Zr -","- C176 H256 Cl16 N16 O16 Zr8 -","8","0.5","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0283","0.023","","0.0597","","0.058","","","1.065","","","1.074","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113196","24.9766","0.0011","24.9766","0.0011","7.8479","0.0004","90","","90","","90","","4895.8","0.4","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C23 H32 Cl2 N2 O2 Zr -","- C23 H32 Cl2 N2 O2 Zr -","- C184 H256 Cl16 N16 O16 Zr8 -","8","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0365","0.0248","","","0.0708","0.0755","","","","","","0.997","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113197","12.7695","0.0013","8.9459","0.0008","15.7581","0.0016","90","","92.497","0.001","90","","1798.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 N8 Ni O8 -","- C28 H44 Cl2 N8 Ni O8 -","- C56 H88 Cl4 N16 Ni2 O16 -","2","0.5","","Maximilian N. Kopylovich; Vadim Yu. Kukushkin; Matti Haukka; Konstantin V. Luzyanin; Armando J. L. Pombeiro","An Efficient Synthesis of Phthalocyanines Based on an Unprecedented Double-Addition of Oximes to Phthalonitriles","Journal of the American Chemical Society","2004","126","","15040","15041","10.1021/ja046759i","","","0.71073","MoKα","","0.0901","0.0732","","","0.2161","0.2301","","","","","","1.095","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113198","10.6235","0.0011","9.2927","0.0006","17.5169","0.0015","90","","95.82","0.008","90","","1720.4","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cl2 N8 Ni O4 -","- C32 H44 Cl2 N8 Ni O4 -","- C64 H88 Cl4 N16 Ni2 O8 -","2","0.5","","Maximilian N. Kopylovich; Vadim Yu. Kukushkin; Matti Haukka; Konstantin V. Luzyanin; Armando J. L. Pombeiro","An Efficient Synthesis of Phthalocyanines Based on an Unprecedented Double-Addition of Oximes to Phthalonitriles","Journal of the American Chemical Society","2004","126","","15040","15041","10.1021/ja046759i","","","0.71073","MoKα","","0.0791","0.0516","","","0.1335","0.1519","","","","","","1.079","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113199","10.4825","0.0008","11.3345","0.0009","11.5961","0.0008","106.522","0.004","109.206","0.004","110.491","0.004","1087.37","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Cl12 N8 Ni O4 -","- C30 H34 Cl12 N8 Ni O4 -","- C30 H34 Cl12 N8 Ni O4 -","1","0.5","","Maximilian N. Kopylovich; Vadim Yu. Kukushkin; Matti Haukka; Konstantin V. Luzyanin; Armando J. L. Pombeiro","An Efficient Synthesis of Phthalocyanines Based on an Unprecedented Double-Addition of Oximes to Phthalonitriles","Journal of the American Chemical Society","2004","126","","15040","15041","10.1021/ja046759i","","","0.71073","MoKα","","0.0576","0.0406","","","0.0954","0.1063","","","","","","1.12","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113200","66.959","0.013","18.977","0.004","32.682","0.007","90","","106.92","0.03","90","","39731","16","110","2","110","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C191.25 H179.25 Cl4 Mn4 N18 O1.75 P12 Re4 -","- C191.25 H179.25 Cl4 Mn4 N18 O1.75 P12 Re4 -","- C1530 H1434 Cl32 Mn32 N144 O14 P96 Re32 -","8","1","","Eric J. Schelter; Andrey V. Prosvirin; Kim R. Dunbar","Molecular Cube of ReII and MnII That Exhibits Single-Molecule Magnetism","Journal of the American Chemical Society","2004","126","","15004","15005","10.1021/ja047088r","","","0.71073","MoKα","","0.115","0.0651","","","0.154","0.1765","","","","","","1.025","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113201","8.205","0.002","10.282","0.002","34.245","0.008","90","","93.1","0.01","90","","2884.8","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 Cl N O3 Pd0.5 -","- C28 H41 Cl N O3 Pd0.5 -","- C112 H164 Cl4 N4 O12 Pd2 -","4","1","","Bertrand Donnio; Benoît Heinrich; Hassan Allouchi; Jens Kain; Siegmar Diele; Daniel Guillon; Duncan W. Bruce","A Generalized Model for the Molecular Arrangement in the Columnar Mesophases of Polycatenar Mesogens. Crystal and Molecular Structure of Two Hexacatenar Mesogens","Journal of the American Chemical Society","2004","126","","15258","15268","10.1021/ja0471673","","","0.71069","MoKα","","0.1384","0.1049","","","0.2046","0.2216","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113202","8.9605","0.0003","9.0629","0.0003","23.428","0.0008","85.958","0.001","89.673","0.001","85.248","0.002","1891.29","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H59 Cl N O3 Pd0.5 -","- C37 H59 Cl N O3 Pd0.5 -","- C74 H118 Cl2 N2 O6 Pd -","2","1","","Bertrand Donnio; Benoît Heinrich; Hassan Allouchi; Jens Kain; Siegmar Diele; Daniel Guillon; Duncan W. Bruce","A Generalized Model for the Molecular Arrangement in the Columnar Mesophases of Polycatenar Mesogens. Crystal and Molecular Structure of Two Hexacatenar Mesogens","Journal of the American Chemical Society","2004","126","","15258","15268","10.1021/ja0471673","","","0.71069","MoKα","","0.1005","0.0523","","","0.1","0.1162","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113203","6.2902","0.001","8.6138","0.0011","29.089","0.004","90","","94.301","0.006","90","","1571.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30.8 Br0.24 N4 S4 -","- C34 H30.796 Br0.24 N4 S4 -","- C68 H61.592 Br0.48 N8 S8 -","2","0.5","","Daron E. Janzen; Michael W. Burand; Paul C. Ewbank; Ted M. Pappenfus; Hiroyuki Higuchi; Demetrio A. da Silva Filho; Victor G. Young; Jean-Luc Brédas; Kent R. Mann","Preparation and Characterization of π-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations","Journal of the American Chemical Society","2004","126","","15295","15308","10.1021/ja0484597","","","0.55","synchrotron","","0.0939","0.0725","","","0.1943","0.2092","","","","","","1.21","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113204","5.6513","0.0009","15.832","0.003","19.096","0.003","98.562","0.007","90.409","0.007","93.139","0.007","1686.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","CMC165b","","","- C36 H42 N4 S3 -","- C36 H42 N4 S3 -","- C72 H84 N8 S6 -","2","1","","Daron E. Janzen; Michael W. Burand; Paul C. Ewbank; Ted M. Pappenfus; Hiroyuki Higuchi; Demetrio A. da Silva Filho; Victor G. Young; Jean-Luc Brédas; Kent R. Mann","Preparation and Characterization of π-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations","Journal of the American Chemical Society","2004","126","","15295","15308","10.1021/ja0484597","","","0.55","synchrotron","","0.0606","0.0466","","","0.1295","0.1387","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113205","8.467","0.0014","12.873","0.002","19.364","0.005","104.072","0.015","102.56","0.014","96.391","0.014","1968","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H50 N4 S3 -","- C43 H50 N4 S3 -","- C86 H100 N8 S6 -","2","1","","Daron E. Janzen; Michael W. Burand; Paul C. Ewbank; Ted M. Pappenfus; Hiroyuki Higuchi; Demetrio A. da Silva Filho; Victor G. Young; Jean-Luc Brédas; Kent R. Mann","Preparation and Characterization of π-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations","Journal of the American Chemical Society","2004","126","","15295","15308","10.1021/ja0484597","","","0.71073","MoKα","","0.088","0.056","","","0.1175","0.127","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113206","6.555","0.002","14.858","0.007","18.269","0.008","93.214","0.016","96.441","0.017","94.512","0.017","1758.8","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H42 N4 S3 -","- C36 H42 N4 S3 -","- C72 H84 N8 S6 -","2","1","","Daron E. Janzen; Michael W. Burand; Paul C. Ewbank; Ted M. Pappenfus; Hiroyuki Higuchi; Demetrio A. da Silva Filho; Victor G. Young; Jean-Luc Brédas; Kent R. Mann","Preparation and Characterization of π-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations","Journal of the American Chemical Society","2004","126","","15295","15308","10.1021/ja0484597","","","0.55936","synchrotron","","0.1082","0.0789","","","0.215","0.2388","","","","","","1.104","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4113207","7.951","0.003","13.212","0.004","13.936","0.004","95.876","0.006","98.489","0.006","97.492","0.006","1424.5","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","03138","","","- C30 H30 N4 S3 -","- C30 H30 N4 S3 -","- C60 H60 N8 S6 -","2","1","","Daron E. Janzen; Michael W. Burand; Paul C. Ewbank; Ted M. Pappenfus; Hiroyuki Higuchi; Demetrio A. da Silva Filho; Victor G. Young; Jean-Luc Brédas; Kent R. Mann","Preparation and Characterization of π-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations","Journal of the American Chemical Society","2004","126","","15295","15308","10.1021/ja0484597","","","0.71073","MoKα","","0.1434","0.0503","","","0.0947","0.1215","","","","","","0.963","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113208","11.761","0.005","12.343","0.006","13.096","0.006","115.826","0.007","108.787","0.007","96.105","0.008","1550.7","1.2","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H25 F12 Fe2 N7 O P2 S2 -","- C17 H25 F12 Fe2 N7 O P2 S2 -","- C34 H50 F24 Fe4 N14 O2 P4 S4 -","2","1","","Christine A. Boyke; Thomas B. Rauchfuss; Scott R. Wilson; Marie-Madeleine Rohmer; Marc Bénard","[Fe2(SR)2(μ-CO)(CNMe)6]2+ and Analogues: A New Class of Diiron Dithiolates as Structural Models for the Hox Air State of the Fe-Only Hydrogenase","Journal of the American Chemical Society","2004","126","","15151","15160","10.1021/ja049050k","","","0.71073","MoKα","","0.086","0.0465","","","0.0924","0.1027","","","","","","0.936","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113209","14.343","0.008","14.66","0.009","14.927","0.009","85.149","0.01","63.442","0.009","69.038","0.009","2611","3","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H119 F24 Fe4 N13 O2 P4 S4 -","- C68 H119 F24 Fe4 N13 O2 P4 S4 -","- C68 H119 F24 Fe4 N13 O2 P4 S4 -","1","0.5","","Christine A. Boyke; Thomas B. Rauchfuss; Scott R. Wilson; Marie-Madeleine Rohmer; Marc Bénard","[Fe2(SR)2(μ-CO)(CNMe)6]2+ and Analogues: A New Class of Diiron Dithiolates as Structural Models for the Hox Air State of the Fe-Only Hydrogenase","Journal of the American Chemical Society","2004","126","","15151","15160","10.1021/ja049050k","","","0.71073","MoKα","","0.0485","0.0367","","","0.0928","0.0988","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113210","11.926","0.008","12.433","0.008","13.286","0.009","116.384","0.009","110.444","0.01","95.077","0.011","1582.4","1.8","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H27 F12 Fe2 N7 O P2 S2 -","- C18 H27 F12 Fe2 N7 O P2 S2 -","- C36 H54 F24 Fe4 N14 O2 P4 S4 -","2","1","","Christine A. Boyke; Thomas B. Rauchfuss; Scott R. Wilson; Marie-Madeleine Rohmer; Marc Bénard","[Fe2(SR)2(μ-CO)(CNMe)6]2+ and Analogues: A New Class of Diiron Dithiolates as Structural Models for the Hox Air State of the Fe-Only Hydrogenase","Journal of the American Chemical Society","2004","126","","15151","15160","10.1021/ja049050k","","","0.71073","MoKα","","0.0653","0.0428","","","0.1006","0.1091","","","","","","1.019","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113211","13.345","0.003","12.306","0.003","19.82","0.005","90","","95.253","0.004","90","","3241.2","1.4","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 F12 Fe2 N7 O P2 S2 -","- C16 H24 F12 Fe2 N6 O P2 S2 -","- C64 H96 F48 Fe8 N24 O4 P8 S8 -","4","1","","Christine A. Boyke; Thomas B. Rauchfuss; Scott R. Wilson; Marie-Madeleine Rohmer; Marc Bénard","[Fe2(SR)2(μ-CO)(CNMe)6]2+ and Analogues: A New Class of Diiron Dithiolates as Structural Models for the Hox Air State of the Fe-Only Hydrogenase","Journal of the American Chemical Society","2004","126","","15151","15160","10.1021/ja049050k","","","0.71073","MoKα","","0.0807","0.0528","","","0.1254","0.1358","","","","","","1.035","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113212","12.3478","0.0019","22.777","0.004","16.82","0.003","90","","108.576","0.002","90","","4484.1","1.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H29 B Cl F20 Zr -","- C50 H29 B Cl F20 Zr -","- C200 H116 B4 Cl4 F80 Zr4 -","4","1","","Fan Wu; Aswini K. Dash; Richard F. Jordan","Structures and Reactivity of Zr(IV) Chlorobenzene Complexes","Journal of the American Chemical Society","2004","126","","15360","15361","10.1021/ja044303v","","","0.71073","MoKα","","0.0501","0.0472","","","0.1305","0.1327","","","","","","1.076","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113213","12.9049","0.0019","13.95","0.002","15.185","0.002","68.011","0.003","72.658","0.003","63.847","0.003","2246","0.6","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H34 B Cl F20 Zr -","- C50 H34 B Cl F20 Zr -","- C100 H68 B2 Cl2 F40 Zr2 -","2","1","","Fan Wu; Aswini K. Dash; Richard F. Jordan","Structures and Reactivity of Zr(IV) Chlorobenzene Complexes","Journal of the American Chemical Society","2004","126","","15360","15361","10.1021/ja044303v","","","0.71073","MoKα","","0.0448","0.0413","","","0.1018","0.1044","","","","","","1.088","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113214","10.782","0.002","15.153","0.003","15.649","0.003","71.731","0.003","79.008","0.003","78.605","0.003","2357.1","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H35 B Cl2 F20 Zr -","- C50 H35 B Cl2 F20 Zr -","- C100 H70 B2 Cl4 F40 Zr2 -","2","1","","Fan Wu; Aswini K. Dash; Richard F. Jordan","Structures and Reactivity of Zr(IV) Chlorobenzene Complexes","Journal of the American Chemical Society","2004","126","","15360","15361","10.1021/ja044303v","","","0.71073","MoKα","","0.0648","0.0618","","","0.1621","0.1647","","","","","","1.087","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113215","10.892","0.002","13.812","0.003","32.591","0.006","78.354","0.003","82.377","0.003","83.618","0.003","4741.6","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H37 B Cl F20 N Zr -","- C52 H37 B Cl F20 N Zr -","- C208 H148 B4 Cl4 F80 N4 Zr4 -","4","2","","Fan Wu; Aswini K. Dash; Richard F. Jordan","Structures and Reactivity of Zr(IV) Chlorobenzene Complexes","Journal of the American Chemical Society","2004","126","","15360","15361","10.1021/ja044303v","","","0.71073","MoKα","","0.0572","0.0492","","","0.1031","0.1067","","","","","","1.19","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113216","9.731","0.004","9.878","0.004","11.256","0.005","66.441","0.006","84.297","0.007","73.066","0.007","948.6","0.7","159","","159","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H52 O10 Rh2 -","- C38 H52 O10 Rh2 -","- C38 H52 O10 Rh2 -","1","0.5","","Christine G. Espino; Kristin Williams Fiori; Mihyong Kim; J. Du Bois","Expanding the Scope of C-H Amination through Catalyst Design","Journal of the American Chemical Society","2004","126","","15378","15379","10.1021/ja0446294","","","0.71073","MoKα","","0.0375","0.0268","","","0.0554","0.0567","","","","","","0.947","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113217","10.9113","0.0002","17.3319","0.0002","19.6884","0.0004","64.4415","0.0005","90.0332","0.0006","78.416","0.0011","3274.52","0.1","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C64 H76 Cl N5 O17 -","- C64 H76 Cl N5 O17 -","- C128 H152 Cl2 N10 O34 -","2","1","","Mark R. Sambrook; Paul D. Beer; James A. Wisner; Rowena L. Paul; Andrew R. Cowley","Anion-Templated Assembly of a [2]Catenane","Journal of the American Chemical Society","2004","126","","15364","15365","10.1021/ja045080b","","","0.71073","MoKα","","0.1821","0.1082","","0.1448","0.1181","0.1181","","","","","","1.0644","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113218","10.7752","0.0015","14.371","0.002","8.067","0.0012","90","","93.868","0.011","90","","1246.3","0.3","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cl -","- C18 H11 Cl -","- C72 H44 Cl4 -","4","1","","Hyunsik Moon; Roswitha Zeis; Evert-Jan Borkent; Celine Besnard; Andrew J. Lovinger; Theo Siegrist; Christian Kloc; Zhenan Bao","Synthesis, Crystal Structure, and Transistor Performance of Tetracene Derivatives","Journal of the American Chemical Society","2004","126","","15322","15323","10.1021/ja045208p","","","0.71073","MoKα","","0.2112","0.039","","0.144","0.0418","0.0418","","","","","","1.1525","","","","has coordinates","209444","2020-10-21","18:00:00",""
"4113219","3.8607","0.0012","8.664","0.003","19.686","0.005","93.37","0.03","92.02","0.02","99.47","0.03","647.7","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","trans di-chloro tetracene","","","- C18 H10 Cl2 -","- C18 H10 Cl2 -","- C36 H20 Cl4 -","2","1","","Hyunsik Moon; Roswitha Zeis; Evert-Jan Borkent; Celine Besnard; Andrew J. Lovinger; Theo Siegrist; Christian Kloc; Zhenan Bao","Synthesis, Crystal Structure, and Transistor Performance of Tetracene Derivatives","Journal of the American Chemical Society","2004","126","","15322","15323","10.1021/ja045208p","","","0.71073","MoKα","","0.2283","0.0534","","","0.1136","0.1925","","","","","","0.713","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4113220","10.8526","0.0015","14.396","0.002","8.177","0.0012","90","","93.091","0.011","90","","1275.7","0.3","293","","293","","","","","","","","?","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Br -","- C18 H11 Br -","- C72 H44 Br4 -","4","1","","Hyunsik Moon; Roswitha Zeis; Evert-Jan Borkent; Celine Besnard; Andrew J. Lovinger; Theo Siegrist; Christian Kloc; Zhenan Bao","Synthesis, Crystal Structure, and Transistor Performance of Tetracene Derivatives","Journal of the American Chemical Society","2004","126","","15322","15323","10.1021/ja045208p","","","0.71073","MoKα","","0.1705","0.0483","","0.142","0.1132","0.1132","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113221","9.2912","0.0001","19.79","0.0002","17.9581","0.0002","90","","96.8958","0.0008","90","","3278.12","0.06","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 F6 N4 O2 P Ru -","- C31 H38 F6 N4 O2 P Ru -","- C124 H152 F24 N16 O8 P4 Ru4 -","4","1","","Wai-Lun Man; William W. Y. Lam; Shek-Man Yiu; Tai-Chu Lau; Shie-Ming Peng","Direct Aziridination of Alkenes by a Cationic (Salen)ruthenium(VI) Nitrido Complex","Journal of the American Chemical Society","2004","126","","15336","15337","10.1021/ja045845f","","","0.71073","MoKα","","0.0595","0.0366","","","0.0838","0.091","","","","","","1.021","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113222","10.7773","0.0008","11.4121","0.0009","14.2929","0.0011","107.279","0.002","96.02","0.002","98.386","0.002","1640.1","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H37 F6 N5 O2 P Ru -","- C33 H37 F6 N5 O2 P Ru -","- C66 H74 F12 N10 O4 P2 Ru2 -","2","1","","Wai-Lun Man; William W. Y. Lam; Shek-Man Yiu; Tai-Chu Lau; Shie-Ming Peng","Direct Aziridination of Alkenes by a Cationic (Salen)ruthenium(VI) Nitrido Complex","Journal of the American Chemical Society","2004","126","","15336","15337","10.1021/ja045845f","","","0.71073","MoKα","","0.0911","0.0752","","","0.1805","0.1903","","","","","","1.155","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113223","6.486","0.0004","28.861","0.002","10.7107","0.0009","90","","90","","90","","2005","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O2 -","- C23 H30 N2 O2 -","- C92 H120 N8 O8 -","4","1","","Puay-Wah Phuan; James C. Ianni; Marisa C. Kozlowski","Is the A-Ring of Sparteine Essential for High Enantioselectivity in the Asymmetric Lithiation-Substitution of N-Boc-pyrrolidine?","Journal of the American Chemical Society","2004","126","","15473","15479","10.1021/ja046321i","","","0.71073","MoKα","","0.0818","0.0627","","","0.1528","0.1661","","","","","","1.218","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113224","10.6236","0.0013","10.7904","0.0011","11.9528","0.0014","90","","91.771","0.001","90","","1369.5","0.3","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H23 I N2 -","- C11 H23 I N2 -","- C44 H92 I4 N8 -","4","2","","Puay-Wah Phuan; James C. Ianni; Marisa C. Kozlowski","Is the A-Ring of Sparteine Essential for High Enantioselectivity in the Asymmetric Lithiation-Substitution of N-Boc-pyrrolidine?","Journal of the American Chemical Society","2004","126","","15473","15479","10.1021/ja046321i","","","0.71069","MoKα","","0.0329","0.0305","","","0.0725","0.074","","","","","","1.035","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113225","15.288","0.003","15.288","0.003","15.663","0.006","90","","90","","120","","3170.3","1.5","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C21 H21.5 Eu Mn1.5 N3 O18.25 -","- C21 H9 Eu Mn1.5 N3 O18.25 -","- C84 H36 Eu4 Mn6 N12 O73 -","4","0.166667","","Bin Zhao; Xiao-Yan Chen; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Coordination Polymers Containing 1D Channels as Selective Luminescent Probes","Journal of the American Chemical Society","2004","126","","15394","15395","10.1021/ja047141b","","","0.71073","MoKα","","0.0584","0.0283","","","0.065","0.0765","","","","","","0.997","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113226","15.351","0.004","15.351","0.004","15.812","0.008","90","","90","","120","","3227","2","273","2","273","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C21 H21.5 Mn1.5 N3 O18.25 Tb -","- C21 H9 Mn1.5 N3 O18.25 Tb -","- C84 H36 Mn6 N12 O73 Tb4 -","4","0.166667","","Bin Zhao; Xiao-Yan Chen; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Coordination Polymers Containing 1D Channels as Selective Luminescent Probes","Journal of the American Chemical Society","2004","126","","15394","15395","10.1021/ja047141b","","","0.71073","MoKα","","0.0717","0.0341","","","0.0959","0.1162","","","","","","1.146","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113227","11.939","0.008","23.478","0.005","11.471","0.004","91.86","0.02","112.61","0.03","97.45","0.04","2931","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","stannaneselone","","","- C51 H84 Se Si6 Sn -","- C51 H84 Se Si6 Sn -","- C102 H168 Se2 Si12 Sn2 -","2","1","","Masaichi Saito; Norihiro Tokitoh; Renji Okazaki","Tin-Chalcogen Double-Bond Compounds, Stannanethione and Stannaneselone: Synthesis, Structure, and Reactivities","Journal of the American Chemical Society","2004","126","","15572","15582","10.1021/ja048453h","","","0.71069","MoKα","","0.3159","0.1037","","","0.2125","0.3177","","","","","","1.011","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113228","11.316","0.009","6.229","0.005","15.518","0.013","90","","97.375","0.014","90","","1084.8","1.5","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","","Vincent Mascitti; E. J. Corey","Total Synthesis of (\±)-Pentacycloanammoxic Acid","Journal of the American Chemical Society","2004","126","","15664","15665","10.1021/ja044089a","","","0.71073","MoKα","","0.0554","0.0471","","","0.1203","0.1265","","","","","","1.034","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113229","11.59","0.007","7.564","0.005","25.78","0.02","90","","97.05","0.04","90","","2243","3","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Br2 N2 O4 -","- C24 H22 Br2 N2 O4 -","- C96 H88 Br8 N8 O16 -","4","1","","Vincent Mascitti; E. J. Corey","Total Synthesis of (\±)-Pentacycloanammoxic Acid","Journal of the American Chemical Society","2004","126","","15664","15665","10.1021/ja044089a","","","0.71073","MoKα","","0.0851","0.0665","","","0.108","0.1129","","","","","","1.29","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113230","10.911","0.001","5.8659","0.0007","11.923","0.001","90","","96.868","0.002","90","","757.63","0.13","173.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N O S -","- C15 H25 N O S -","- C30 H50 N2 O2 S2 -","2","1","","Takuya Kochi; Jonathan A. Ellman","Asymmetric α-Alkylation of N'-tert-Butanesulfinyl Amidines. Application to the Total Synthesis of (6R,7S)-7-Amino-7,8-dihydro-α-bisabolene","Journal of the American Chemical Society","2004","126","","15652","15653","10.1021/ja044753n","","","0.7107","MoKα","","","0.0616","","","","0.0647","","","","","","1.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113231","16.5705","0.0011","17.2926","0.0011","18.6213","0.0012","64.97","0.001","67.295","0.001","65.611","0.001","4256.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C142 H139 Dy4 Mn11 N20 O66 -","- C141 H127 Dy4 Mn11 N19 O66 -","- C141 H127 Dy4 Mn11 N19 O66 -","1","0.5","","Abhudaya Mishra; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Initial Observation of Magnetization Hysteresis and Quantum Tunneling in Mixed Manganese-Lanthanide Single-Molecule Magnets","Journal of the American Chemical Society","2004","126","","15648","15649","10.1021/ja0452727","","","0.71073","MoKα","","0.0773","0.0425","","","0.1006","0.1099","","","","","","0.926","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113232","8.484","0.0001","12.8058","0.0002","9.7203","0.0002","90","","115.088","0.0007","90","","956.43","0.03","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 P2 -","- C10 H10 P2 -","- C40 H40 P8 -","4","1","","Stephan A. Reiter; Stefan D. Nogai; Konstantin Karaghiosoff; Hubert Schmidbaur","Insignificance of P-H...P Hydrogen Bonding: Structural Chemistry of Neutral and Protonated 1,8-Di(phosphinyl)naphthalene","Journal of the American Chemical Society","2004","126","","15833","15843","10.1021/ja045460x","","","0.71073","MoKα","","0.0395","0.0391","","","0.0986","0.099","","","","","","1.082","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113233","14.1998","0.0002","13.4147","0.0001","21.2357","0.0003","90","","98.0005","0.0005","90","","4005.73","0.09","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 F6 O7 P2 S2 -","- C12 H14 F6 O7 P2 S2 -","- C96 H112 F48 O56 P16 S16 -","8","2","","Stephan A. Reiter; Stefan D. Nogai; Konstantin Karaghiosoff; Hubert Schmidbaur","Insignificance of P-H...P Hydrogen Bonding: Structural Chemistry of Neutral and Protonated 1,8-Di(phosphinyl)naphthalene","Journal of the American Chemical Society","2004","126","","15833","15843","10.1021/ja045460x","","","0.71073","MoKα","","0.0437","0.0389","","","0.0916","0.095","","","","","","1.05","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113234","10.5319","0.0002","18.005","0.0005","7.3227","0.0001","90","","90","","90","","1388.58","0.05","143","2","143","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C11 H11 F3 O3 P2 S -","- C11 H11 F3 O3 P2 S -","- C44 H44 F12 O12 P8 S4 -","4","0.5","","Stephan A. Reiter; Stefan D. Nogai; Konstantin Karaghiosoff; Hubert Schmidbaur","Insignificance of P-H...P Hydrogen Bonding: Structural Chemistry of Neutral and Protonated 1,8-Di(phosphinyl)naphthalene","Journal of the American Chemical Society","2004","126","","15833","15843","10.1021/ja045460x","","","0.71073","MoKα","","0.0394","0.0374","","","0.0934","0.0947","","","","","","1.06","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113235","21.247","0.003","18.09","0.002","20.065","0.002","90","","90","","90","","7712.1","1.6","223","2","223","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","Au2(PAnP)(NO3)2+0.5Et2O","","","- C40 H33 Au2 N2 O6.5 P2 -","- C40 H33 Au2 N2 O6.5 P2 -","- C320 H264 Au16 N16 O52 P16 -","8","1","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.0753","0.053","","","0.1215","0.1323","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113236","28.309","0.0013","24.2881","0.0011","10.6225","0.0005","90","","95.253","0.001","90","","7273.1","0.6","295","2","295","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","(1+An)(OTf)4","","","- C114 H82 Au4 F12 N4 O12 P4 S4 -","- C114 H82 Au4 F12 N4 O12 P4 S4 -","- C228 H164 Au8 F24 N8 O24 P8 S8 -","2","0.25","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.0945","0.0659","","","0.2158","0.2375","","","","","","1.04","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113237","27.4266","0.0017","21.6592","0.0015","23.647","0.0016","90","","90","","90","","14047.2","1.6","295","2","295","2","","","","","","","","9","P n n m","-P 2 2n","58","(1+Br-An)(OTf)4+Et2O","","","- C118 H90 Au4 Br F12 N4 O13 P4 S4 -","- C118 H90 Au4 Br F12 N4 O13 P4 S4 -","- C472 H360 Au16 Br4 F48 N16 O52 P16 S16 -","4","0.5","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.1191","0.066","","","0.2076","0.2444","","","","","","1.047","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113238","28.406","0.002","24.235","0.0016","10.7465","0.0008","90","","94.496","0.002","90","","7375.3","0.9","295","2","295","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","(1+Py)(OTf)4+CH2Cl2","","","- C117 H84 Au4 Cl2 F12 N4 O12 P4 S4 -","- C117 H80.6 Au4 Cl2 F12 N4 O12 P4 S4 -","- C234 H161.2 Au8 Cl4 F24 N8 O24 P8 S8 -","2","0.25","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.1452","0.0705","","","0.1948","0.2321","","","","","","0.941","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113239","28.242","0.004","24.405","0.004","10.3082","0.0016","90","","96.392","0.003","90","","7060.7","1.9","193","2","193","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","1(OTf)4+4.8H2O","","","- C100 H72 Au4 F12 N4 O16.8 P4 S4 -","- C100 H72 Au4 F12 N4 O16.8 P4 S4 -","- C200 H144 Au8 F24 N8 O33.6 P8 S8 -","2","0.25","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.1365","0.0748","","","0.2187","0.2426","","","","","","0.968","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113240","8.074","0.003","12.108","0.004","10.5053","0.0016","90","","112.46","0.02","90","","949.1","0.5","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cl N2 -","- C9 H11 Cl N2 -","- C36 H44 Cl4 N8 -","4","1","","Dongbin Zhao; Zhaofu Fei; Tilmann J. Geldbach; Rosario Scopelliti; Paul J. Dyson","Nitrile-Functionalized Pyridinium Ionic Liquids: Synthesis, Characterization, and Their Application in Carbon-Carbon Coupling Reactions","Journal of the American Chemical Society","2004","126","","15876","15882","10.1021/ja0463482","","","0.71073","MoKα","","0.0604","0.0528","","","0.1301","0.1398","","","","","","1.093","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113241","14.142","0.007","10.421","0.005","15.367","0.003","90","","104.78","0.03","90","","2189.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl4 N4 Pd -","- C18 H22 Cl4 N4 Pd -","- C72 H88 Cl16 N16 Pd4 -","4","1","","Dongbin Zhao; Zhaofu Fei; Tilmann J. Geldbach; Rosario Scopelliti; Paul J. Dyson","Nitrile-Functionalized Pyridinium Ionic Liquids: Synthesis, Characterization, and Their Application in Carbon-Carbon Coupling Reactions","Journal of the American Chemical Society","2004","126","","15876","15882","10.1021/ja0463482","","","0.71073","MoKα","","0.082","0.0436","","","0.0951","0.1108","","","","","","0.944","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113242","13.2666","0.0007","17.4832","0.001","19.2115","0.001","90","","95.855","0.001","90","","4432.7","0.4","98","2","98","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H50 B F3 O5 P2 Pd S -","- C47 H50 B F3 O5 P2 Pd S -","- C188 H200 B4 F12 O20 P8 Pd4 S4 -","4","1","","Connie C. Lu; Jonas C. Peters","Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center","Journal of the American Chemical Society","2004","126","","15818","15832","10.1021/ja046415s","","","0.71073","MoKα","","0.0805","0.0478","","","0.0701","0.0728","","","","","","1.743","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113243","16.3584","0.0011","17.415","0.0012","19.5418","0.0013","90","","112.188","0.001","90","","5154.9","0.6","98","2","98","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 B Cl4 F3 N O3 P2 Pd S -","- C52 H47 B Cl4 F3 N O3 P2 Pd S -","- C208 H188 B4 Cl16 F12 N4 O12 P8 Pd4 S4 -","4","1","","Connie C. Lu; Jonas C. Peters","Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center","Journal of the American Chemical Society","2004","126","","15818","15832","10.1021/ja046415s","","","0.71073","MoKα","","0.082","0.0489","","","0.0802","0.083","","","","","","1.94","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113244","12.9776","0.0011","19.4418","0.0016","18.1205","0.0015","90","","107.57","0.001","90","","4358.7","0.6","98","","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 B N P2 Pd -","- C52 H60 B N P2 Pd -","- C208 H240 B4 N4 P8 Pd4 -","4","1","","Connie C. Lu; Jonas C. Peters","Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center","Journal of the American Chemical Society","2004","126","","15818","15832","10.1021/ja046415s","","","0.71073","MoKα","","0.0777","0.0497","","","0.0953","0.0987","","","","","","1.745","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113245","11.6163","0.001","29.268","0.002","11.5305","0.0009","90","","113.573","0.001","90","","3593.1","0.5","98","","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H44 B N P2 Pd -","- C43 H44 B N P2 Pd -","- C172 H176 B4 N4 P8 Pd4 -","4","1","","Connie C. Lu; Jonas C. Peters","Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center","Journal of the American Chemical Society","2004","126","","15818","15832","10.1021/ja046415s","","","0.71073","MoKα","","0.0806","0.0485","","","0.087","0.09","","","","","","1.607","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113246","16.434","0.0014","19.9138","0.0018","20.3375","0.0018","71.255","0.002","70.065","0.002","74.827","0.002","5837.8","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","triclinic","","- C114 H202 I14 N30 Ni6 O41 -","- C114 H168 I14.004 N30 Ni6 O41 -","- C114 H168 I14.004 N30 Ni6 O41 -","1","0.5","","Hye Jin Choi; Myunghyun Paik Suh","Dynamic and Redox Active Pillared Bilayer Open Framework: Single-Crystal-to-Single-Crystal Transformations upon Guest Removal, Guest Exchange, and Framework Oxidation","Journal of the American Chemical Society","2004","126","","15844","15851","10.1021/ja0466715","","","0.71073","MoKα","","0.4654","0.1547","","","0.3337","0.496","","","","","","0.922","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113247","22.367","0.005","14.922","0.003","11.941","0.002","90","","100.33","0.03","90","","3920.8","1.4","253","2","253","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 N2 O3 -","- C20 H30 N2 O3 -","- C160 H240 N16 O24 -","8","1","","Fei Chen; Nian-Yong Zhu; Dan Yang","γ4-Aminoxy Peptides as New Peptidomimetic Foldamers","Journal of the American Chemical Society","2004","126","","15980","15981","10.1021/ja044493+","","","0.71073","MoKα","","0.0544","0.0358","","","0.0865","0.0905","","","","","","0.939","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113248","12.8646","0.0001","15.9762","0.0002","32.8003","0.0005","90.708","0.001","95.949","0.001","97.278","0.001","6648.81","0.14","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C55 H58 N6 -","- C55 H58 N6 -","- C330 H348 N36 -","6","3","","Piotr Piątek; Vincent M. Lynch; Jonathan L. Sessler","Calix[4]pyrrole[2]carbazole: A New Kind of Expanded Calixpyrrole","Journal of the American Chemical Society","2004","126","","16073","16076","10.1021/ja045218q","","","0.71073","MoKα","","0.1784","0.0749","","","0.1503","0.1803","","","","","","1.131","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113249","12.763","0.0002","15.757","0.0003","35.14","0.0007","90","","99.712","0.001","90","","6965.6","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H89 Cl2 N7 O2 -","- C73 H87 N7 O2 -","- C292 H348 N28 O8 -","4","1","","Piotr Piątek; Vincent M. Lynch; Jonathan L. Sessler","Calix[4]pyrrole[2]carbazole: A New Kind of Expanded Calixpyrrole","Journal of the American Chemical Society","2004","126","","16073","16076","10.1021/ja045218q","","","0.71073","MoKα","","0.193","0.1038","","","0.2047","0.2126","","","","","","2.623","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113250","12.5767","0.0005","13.2311","0.0006","17.2462","0.0008","90","","101.968","0.001","90","","2807.4","0.2","296.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O -","- C18 H20 O -","- C144 H160 O8 -","8","2","","Yoshiaki Nishibayashi; Masato Yoshikawa; Youichi Inada; Masanobu Hidai; Sakae Uemura","Ruthenium- and Platinum-Catalyzed Sequential Reactions: Selective Synthesis of Fused Polycyclic Compounds from Propargylic Alcohols and Alkenes","Journal of the American Chemical Society","2004","126","","16066","16072","10.1021/ja045532k","","","0.7107","MoKα","","","0.046","","","","0.1","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113251","9.9986","0.0001","11.8266","0.0001","13.6183","0.0002","90","","113.437","0.0005","90","","1477.5","0.03","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Li2 N4 -","- C30 H50 Li2 N4 -","- C60 H100 Li4 N8 -","2","0.5","","Anne M. Arink; Claudia M. P. Kronenburg; Johann T. B. H. Jastrzebski; Martin Lutz; Anthony L. Spek; Robert A. Gossage; Gerard van Koten","Diastereoselective Self-Assembly of Chiral Diamine-Chelated Aryllithiums to Dimeric Aggregates","Journal of the American Chemical Society","2004","126","","16249","16258","10.1021/ja045914q","","","0.71073","MoKα","","0.0524","0.0364","","","0.0902","0.0993","","","","","","0.955","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113252","9.6895","0.0001","17.262","0.0002","16.2017","0.0002","90","","94.7843","0.0005","90","","2700.46","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H42 Li2 N4 -","- C26 H42 Li2 N4 -","- C104 H168 Li8 N16 -","4","2","","Anne M. Arink; Claudia M. P. Kronenburg; Johann T. B. H. Jastrzebski; Martin Lutz; Anthony L. Spek; Robert A. Gossage; Gerard van Koten","Diastereoselective Self-Assembly of Chiral Diamine-Chelated Aryllithiums to Dimeric Aggregates","Journal of the American Chemical Society","2004","126","","16249","16258","10.1021/ja045914q","","","0.71073","MoKα","","0.0438","0.0365","","","0.0855","0.0904","","","","","","1.041","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4113253","19.4347","0.0003","19.4347","0.0003","30.1815","0.0005","90","","90","","120","","9872.5","0.3","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C53 H56 B2 N2 O9 -","- C53 H56 B2 N2 O9 -","- C318 H336 B12 N12 O54 -","6","1","","Jianzhang Zhao; Matthew G. Davidson; Mary F. Mahon; Gabriele Kociok-Köhn; Tony D. James","An Enantioselective Fluorescent Sensor for Sugar Acids","Journal of the American Chemical Society","2004","126","","16179","16186","10.1021/ja046289s","","","0.7107","MoKα","","0.0843","0.069","","","0.1822","0.1927","","","","","","1.025","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113254","12.425","0.0003","25.943","0.0006","14.708","0.0005","90","","114.259","0.001","90","","4322.4","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C92.5 H93 B4 Cl N4 O8 -","- C92.5 H93 B4 Cl N4 O8 -","- C185 H186 B8 Cl2 N8 O16 -","2","1","","Jianzhang Zhao; Matthew G. Davidson; Mary F. Mahon; Gabriele Kociok-Köhn; Tony D. James","An Enantioselective Fluorescent Sensor for Sugar Acids","Journal of the American Chemical Society","2004","126","","16179","16186","10.1021/ja046289s","","","0.71073","MoKα","","0.137","0.0627","","","0.1265","0.1493","","","","","","0.959","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113255","6.9969","0.0004","11.1153","0.0006","18.5163","0.001","90","","90","","90","","1440.06","0.14","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O6 -","- C13 H22 O6 -","- C52 H88 O24 -","4","1","","Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng","Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors","Journal of the American Chemical Society","2004","126","","15990","15992","10.1021/ja0470158","","","0.71073","MoKα","","0.0359","0.0319","","","0.0862","0.0886","","","","","","1.047","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113256","12.531","0.003","16.867","0.005","25.965","0.007","90","","90","","90","","5488","3","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C26 H39 N O8 -","- C26 H39 N O8 -","- C208 H312 N8 O64 -","8","1","","Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng","Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors","Journal of the American Chemical Society","2004","126","","15990","15992","10.1021/ja0470158","","","0.71073","MoKα","","0.0751","0.0525","","","0.1308","0.1439","","","","","","1.026","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113257","10.73","0.005","10.766","0.005","52.83","0.02","90","","90","","90","","6103","5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C13 H20 Cl N O5 -","- C13 H20 Cl N O5 -","- C208 H320 Cl16 N16 O80 -","16","2","","Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng","Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors","Journal of the American Chemical Society","2004","126","","15990","15992","10.1021/ja0470158","","","0.71073","MoKα","","0.0612","0.0523","","","0.1403","0.145","","","","","","1.075","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113258","5.5129","0.0015","9.654","0.003","13","0.004","90","","90.156","0.006","90","","691.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 Cl O4 -","- C13 H19 Cl O4 -","- C26 H38 Cl2 O8 -","2","1","","Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng","Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors","Journal of the American Chemical Society","2004","126","","15990","15992","10.1021/ja0470158","","","0.71073","MoKα","","0.1098","0.0587","","","0.1164","0.1406","","","","","","1.062","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113259","12.8412","0.001","14.5056","0.0008","13.9932","0.0009","90","","96.064","0.003","90","","2591.9","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Au2 Cu N5 O -","- C7 H7 Au2 Cu N5 O -","- C56 H56 Au16 Cu8 N40 O8 -","8","1","","Julie Lefebvre; Raymond J. Batchelor; Daniel B. Leznoff","Cu[Au(CN)2]2(DMSO)2: Golden Polymorphs That Exhibit Vapochromic Behavior","Journal of the American Chemical Society","2004","126","","16117","16125","10.1021/ja049069n","","","1.5418","CuKα","","0.0614","0.0315","","0.0882","0.0456","0.0456","","","","","","0.9297","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113260","7.3438","0.0007","14.1201","0.001","8.2696","0.0006","90","","94.082","0.003","90","","855.34","0.12","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Au Cu0.5 N3 -","- C7 H5 Au Cu0.5 N3 -","- C28 H20 Au4 Cu2 N12 -","4","1","","Julie Lefebvre; Raymond J. Batchelor; Daniel B. Leznoff","Cu[Au(CN)2]2(DMSO)2: Golden Polymorphs That Exhibit Vapochromic Behavior","Journal of the American Chemical Society","2004","126","","16117","16125","10.1021/ja049069n","","","1.5418","CuKα","","0.047","0.0276","","0.1253","0.0401","0.0401","","","","","","0.9969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113261","7.874","0.007","12.761","0.011","16.207","0.013","89.61","0.07","82.29","0.07","88.57","0.07","1613","2","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H24 Au4 Cu2 N8 O4 S4 -","- C16 H24 Au4 Cu2 N8 O4 S4 -","- C32 H48 Au8 Cu4 N16 O8 S8 -","2","1","","Julie Lefebvre; Raymond J. Batchelor; Daniel B. Leznoff","Cu[Au(CN)2]2(DMSO)2: Golden Polymorphs That Exhibit Vapochromic Behavior","Journal of the American Chemical Society","2004","126","","16117","16125","10.1021/ja049069n","","","1.5418","CuKα","","0.1646","0.0618","","0.1858","0.0824","0.0824","","","","","","1.3755","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113262","11.5449","0.0015","14.191","0.004","11.5895","0.0012","90","","112.536","0.009","90","","1753.8","0.6","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 Au Cu0.5 N2 O S -","- C4 H6 Au Cu0.5 N2 O S -","- C32 H48 Au8 Cu4 N16 O8 S8 -","8","1","","Julie Lefebvre; Raymond J. Batchelor; Daniel B. Leznoff","Cu[Au(CN)2]2(DMSO)2: Golden Polymorphs That Exhibit Vapochromic Behavior","Journal of the American Chemical Society","2004","126","","16117","16125","10.1021/ja049069n","","","0.7093","MoKα","","0.0845","0.042","","0.0485","0.0467","0.0467","","","","","","2.2018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113263","13.872","0.0006","16.94","0.003","8.902","0.002","90","","91.455","0.007","90","","2091.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2,4-Bis(3-methoxy-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-1,3-cyclobutanedi carboxylate","","- C36 H36 O12 S2 -","- C36 H36 O12 S2 -","- C72 H72 O24 S4 -","2","0.5","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.0907","0.0683","","","0.1908","0.2071","","","","","","0.952","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113264","7.326","0.0002","8.5","0.0007","25.929","0.002","90","","90","","90","","1614.62","0.19","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2E)-3-{3-Methoxy-4-[(phenylsulfonyl)oxy]phenyl}-2-propenoate","","- C17 H16 O6 S -","- C17 H16 O6 S -","- C68 H64 O24 S4 -","4","1","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.0495","0.0321","","","0.069","0.0736","","","","","","0.716","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113265","7.57","0.001","7.95","0.0007","16.652","0.002","90.097","0.007","83.386","0.006","64.27","0.006","895.27","0.18","296","","","","","","","","","","","5","P -1","-P 1","2","","Methyl (2E)-3-(3-Methoxy-4-{[(2-nitrophenyl)sulfonyl]oxy}phenyl)-2-propenoate","","- C17 H15 N O8 S -","- C17 H15 N O8 S -","- C34 H30 N2 O16 S2 -","2","1","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.0529","0.0434","","","0.1176","0.125","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113266","24.603","0.002","8.858","0.0009","15.656","0.002","90","","91.735","0.006","90","","3410.4","0.6","100","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl (2E)-3-(3-Methoxy-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-2-propenoate","","- C18 H18 O6 S -","- C18 H18 O6 S -","- C144 H144 O48 S8 -","8","1","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.0521","0.045","","","0.1173","0.1226","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113267","11.931","0.003","6.648","0.0007","19.006","0.004","90","","100.632","0.009","90","","1481.6","0.5","296","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(4-nitrophenyl) Bis(4-hydroxy-3-methoxyphenyl)-1,2-cyclobutanedicarboxylate","","- C32 H26 N2 O12 -","- C32 H26 N2 O12 -","- C64 H52 N4 O24 -","2","1","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.1134","0.0496","","","0.1064","0.1305","","","","","","0.966","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113268","9.073","0.0012","17.118","0.004","13.309","0.003","90","","117.935","0.013","90","","1826.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2,4-Bis(3-methoxy-4-{[(2-nitrophenyl)sulfonyl]oxy}phenyl)-1,3-cyclobutanedic arboxylate","","- C34 H30 N2 O16 S2 -","- C34 H30 N2 O16 S2 -","- C68 H60 N4 O32 S4 -","2","0.5","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.1291","0.0817","","","0.221","0.2574","","","","","","1.03","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113269","11.738","0.002","7.3775","0.0015","15.207","0.003","90","","100.55","0.03","90","","1294.6","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H36 O6 S -","- C29 H36 O6 S -","- C58 H72 O12 S2 -","2","1","","Andrew Nickel; Toru Maruyama; Haifeng Tang; Prescott D. Murphy; Blake Greene; Naeem Yusuff; John L. Wood","Total Synthesis of Ingenol","Journal of the American Chemical Society","2004","126","","16300","16301","10.1021/ja044123l","","","0.71073","MoKα","","0.1404","0.0695","","","0.125","0.1535","","","","","","1.033","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113270","6.8238","0.0014","8.4032","0.0017","15.301","0.003","90","","94.76","0.03","90","","874.4","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Andrew Nickel; Toru Maruyama; Haifeng Tang; Prescott D. Murphy; Blake Greene; Naeem Yusuff; John L. Wood","Total Synthesis of Ingenol","Journal of the American Chemical Society","2004","126","","16300","16301","10.1021/ja044123l","","","0.71073","MoKα","","0.1088","0.0582","","","0.1099","0.1277","","","","","","1.02","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113271","17.5814","0.001","17.6895","0.001","18.7229","0.0011","90","","100.874","0.001","90","","5718.4","0.6","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H68 B Co N11 -","- C65 H68 B Co N11 -","- C260 H272 B4 Co4 N44 -","4","1","","Xile Hu; Karsten Meyer","Terminal Cobalt(III) Imido Complexes Supported by Tris(Carbene) Ligands: Imido Insertion into the Cobalt-Carbene Bond","Journal of the American Chemical Society","2004","126","","16322","16323","10.1021/ja044271b","","","0.71073","MoKα","","0.0597","0.044","","","0.0937","0.1002","","","","","","1.032","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113272","18.715","0.003","14.361","0.002","22.967","0.004","90","","95.175","0.003","90","","6147.6","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H78 B Co N8 O -","- C73 H78 B Co N8 O -","- C292 H312 B4 Co4 N32 O4 -","4","1","","Xile Hu; Karsten Meyer","Terminal Cobalt(III) Imido Complexes Supported by Tris(Carbene) Ligands: Imido Insertion into the Cobalt-Carbene Bond","Journal of the American Chemical Society","2004","126","","16322","16323","10.1021/ja044271b","","","0.71073","MoKα","","0.0894","0.0532","","","0.107","0.1195","","","","","","1.034","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113273","13.2685","0.0013","17.283","0.0017","20.673","0.002","85.323","0.002","79.331","0.002","69.009","0.002","4349","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C103 H113 B2 Co N8 O2.5 -","- C97 H98 B2 Co N8 O -","- C194 H196 B4 Co2 N16 O2 -","2","1","","Xile Hu; Karsten Meyer","Terminal Cobalt(III) Imido Complexes Supported by Tris(Carbene) Ligands: Imido Insertion into the Cobalt-Carbene Bond","Journal of the American Chemical Society","2004","126","","16322","16323","10.1021/ja044271b","","","0.71073","MoKα","","0.0707","0.0498","","","0.1245","0.1329","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113274","20.741","0.002","20.118","0.002","19.862","0.002","90","","92.424","0.002","90","","8280.3","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H102 B2 Co N8 O -","- C98 H102 B2 Co N8 O -","- C392 H408 B8 Co4 N32 O4 -","4","1","","Xile Hu; Karsten Meyer","Terminal Cobalt(III) Imido Complexes Supported by Tris(Carbene) Ligands: Imido Insertion into the Cobalt-Carbene Bond","Journal of the American Chemical Society","2004","126","","16322","16323","10.1021/ja044271b","","","0.71073","MoKα","","0.0886","0.0529","","","0.1196","0.1352","","","","","","1.024","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113275","9.341","0.0009","12.89","0.0012","21.742","0.004","77.351","0.002","89.665","0.003","69.52","0.008","2385.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H62 N4 O6 S24 -","- C72 N6 O4 S24 -","- C72 N6 O4 S24 -","1","0.5","","Kent A. Nielsen; Won-Seob Cho; Jan O. Jeppesen; Vincent M. Lynch; Jan Becher; Jonathan L. Sessler","Tetra-TTF Calix[4]pyrrole: A Rationally Designed Receptor for Electron-Deficient Neutral Guests","Journal of the American Chemical Society","2004","126","","16296","16297","10.1021/ja044664a","","","0.7107","MoKα","","0.2378","0.1834","","","0.3356","0.3447","","","","","","3.275","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113276","12.4868","0.0002","19.4255","0.0003","21.1152","0.0004","111.221","0.001","103.788","0.001","92.493","0.001","4588.99","0.14","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H84 F8 N4 O4 S24 -","- C80 H84 F8 N4 O4 S24 -","- C160 H168 F16 N8 O8 S48 -","2","1","","Kent A. Nielsen; Won-Seob Cho; Jan O. Jeppesen; Vincent M. Lynch; Jan Becher; Jonathan L. Sessler","Tetra-TTF Calix[4]pyrrole: A Rationally Designed Receptor for Electron-Deficient Neutral Guests","Journal of the American Chemical Society","2004","126","","16296","16297","10.1021/ja044664a","","","0.71073","MoKα","","0.1488","0.0593","","","0.1127","0.1408","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113277","12.6227","0.0001","17.5519","0.0002","22.3645","0.0003","112.352","0.001","101.418","0.001","93.336","0.001","4442.97","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H84 N4 O0.5 S24 -","- C72.5 H68 N4 O2 S24 -","- C145 H136 N8 O4 S48 -","2","1","","Kent A. Nielsen; Won-Seob Cho; Jan O. Jeppesen; Vincent M. Lynch; Jan Becher; Jonathan L. Sessler","Tetra-TTF Calix[4]pyrrole: A Rationally Designed Receptor for Electron-Deficient Neutral Guests","Journal of the American Chemical Society","2004","126","","16296","16297","10.1021/ja044664a","","","0.71073","MoKα","","0.1418","0.0693","","","0.1355","0.1447","","","","","","1.807","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113278","32.536","0.005","12.237","0.002","10.852","0.002","90","","98.77","0.02","90","","4270.1","1.3","150","","150","","","","","","","","","2","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","αlpha-Zn4Sb3","","","- Sb10 Zn13 -","- Sb10 Zn13 -","- Sb80 Zn104 -","8","","","Johanna Nylén; Magnus Andersson; Sven Lidin; Ulrich Häussermann","The Structure of α-Zn4Sb3: Ordering of the Phonon-Glass Thermoelectric Material β-Zn4Sb3","Journal of the American Chemical Society","2004","126","","16306","16307","10.1021/ja044980p","","","0.71069","MoKα","","0.0502","0.0443","","","0.0513","0.0515","","","","5.35","5.35","4.91","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113279","13.423","0.011","13.495","0.012","13.817","0.012","91.83","0.03","104.6","0.02","111.29","0.03","2235","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H30 Li3 N3 O6 -","- C16.75 H30 Li3 N3 O6 -","- C67 H120 Li12 N12 O24 -","4","2","","Anne J. McNeil; Gilman E. S. Toombes; Sol M. Gruner; Emil Lobkovsky; David B. Collum; Sithamalli V. Chandramouli; Benoit J. Vanasse; Timothy A. Ayers","Diastereoselective Alkylation of β-Amino Esters: Structural and Rate Studies Reveal Alkylations of Hexameric Lithium Enolates","Journal of the American Chemical Society","2004","126","","16559","16568","10.1021/ja045144i","","","0.71073","MoKα","","0.1275","0.0665","","","0.1502","0.1793","","","","","","0.949","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113280","13.1654","0.0002","14.8448","0.0002","16.6288","0.0003","70.9567","0.0006","69.617","0.0007","74.8414","0.0014","2839.31","0.08","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C91 H147 Cl9 N4 O10 P8 Pt4 -","- C91 H147 Cl9 N4 O10 P8 Pt4 -","- C91 H147 Cl9 N4 O10 P8 Pt4 -","1","0.5","","Ki-Whan Chi; Chris Addicott; Atta M. Arif; Peter J. Stang","Ambidentate Pyridyl-carboxylate Ligands in the Coordination-Driven Self-Assembly of 2D Pt Macrocycles: Self-Selection for a Single Isomer","Journal of the American Chemical Society","2004","126","","16569","16574","10.1021/ja045542l","","","0.71073","MoKα","","0.1137","0.0815","","","0.2272","0.2624","","","","","","1.03","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113281","9.659","0.003","18.2763","0.0014","19.802","0.003","90","","91.517","0.01","90","","3494.4","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetra-n-butylammonium 1,3-bis-(4-nitro-phenyl)-urea hydrogen-carbonate bi-hydrate","","","- C30 H51 N5 O10 -","- C30 H51 N5 O10 -","- C120 H204 N20 O40 -","4","1","","Massimo Boiocchi; Laura Del Boca; David Esteban Gómez; Luigi Fabbrizzi; Maurizio Licchelli; Enrico Monzani","Nature of Urea-Fluoride Interaction: Incipient and Definitive Proton Transfer","Journal of the American Chemical Society","2004","126","","16507","16514","10.1021/ja045936c","","","0.71073","MoKα","","0.1995","0.06","","","0.1102","0.1524","","","","","","0.946","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113282","10.0827","0.0017","20.434","0.002","17.282","0.005","90","","106.07","0.02","90","","3421.5","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetra-n-butylammonium 1,3-bis-(4-nitro-phenyl)-urea acetate","","","- C31 H49 N5 O7 -","- C31 H49 N5 O7 -","- C124 H196 N20 O28 -","4","1","","Massimo Boiocchi; Laura Del Boca; David Esteban Gómez; Luigi Fabbrizzi; Maurizio Licchelli; Enrico Monzani","Nature of Urea-Fluoride Interaction: Incipient and Definitive Proton Transfer","Journal of the American Chemical Society","2004","126","","16507","16514","10.1021/ja045936c","","","0.71073","MoKα","","0.2425","0.0757","","","0.1254","0.1794","","","","","","0.98","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113283","18.6339","0.0016","25.6027","0.0014","14.4414","0.0011","90","","99.762","0.01","90","","6789.9","0.9","200","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H58 Ba2 Cl2 Cu2 N8 O33 S4 -","- C52 H58 Ba2 Cl2 Cu2 N8 O33 S4 -","- C208 H232 Ba8 Cl8 Cu8 N32 O132 S16 -","4","1","","Jonathan R. Nitschke; David Schultz; Gérald Bernardinelli; David Gérard","Selection Rules for Helicate Ligand Component Self-Assembly: Steric, pH, Charge, and Solvent Effects","Journal of the American Chemical Society","2004","126","","16538","16543","10.1021/ja046001z","","","0.71073","MoKα","","","0.04","","","","0.038","","","","","","1.12","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113284","12.5079","0.0007","18.8569","0.0012","17.9012","0.0009","90","","92.2","0.006","90","","4219.1","0.4","200","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 B2 Cu2 F8 N8 O8 -","- C36 H44 B2 Cu2 F8 N8 O8 -","- C144 H176 B8 Cu8 F32 N32 O32 -","4","1","","Jonathan R. Nitschke; David Schultz; Gérald Bernardinelli; David Gérard","Selection Rules for Helicate Ligand Component Self-Assembly: Steric, pH, Charge, and Solvent Effects","Journal of the American Chemical Society","2004","126","","16538","16543","10.1021/ja046001z","","","0.71073","MoKα","","","0.033","","","","0.032","","","","","","1.22","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113285","6.3352","0.0009","12.8689","0.0013","9.4987","0.0013","90","","106.283","0.011","90","","743.34","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr Cs2 H12 O14 S2 -","- Cr Cs2 H12 O14 S2 -","- Cr2 Cs4 H24 O28 S4 -","2","0.5","","Christopher Dobe; Christopher Noble; Graham Carver; Philip L. W. Tregenna-Piggott; Garry J. McIntyre; Anne-Laure Barra; Antonia Neels; Stefan Janssen; Fanni Juranyi","Electronic and Molecular Structure of High-Spin d4 Complexes: Experimental and Theoretical Study of the [Cr(D2O)6]2+ Cation in Tutton's Salts","Journal of the American Chemical Society","2004","126","","16639","16652","10.1021/ja046095c","","","0.71073","MoKα","","0.0316","0.0303","","","0.0734","0.0744","","","","","","1.182","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113286","6.3181","0.0011","12.8039","0.0015","9.493","0.0016","90","","106.135","0.014","90","","737.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr Cs2 H12 O14 S2 -","- Cr Cs2 H12 O14 S2 -","- Cr2 Cs4 H24 O28 S4 -","2","0.5","","Christopher Dobe; Christopher Noble; Graham Carver; Philip L. W. Tregenna-Piggott; Garry J. McIntyre; Anne-Laure Barra; Antonia Neels; Stefan Janssen; Fanni Juranyi","Electronic and Molecular Structure of High-Spin d4 Complexes: Experimental and Theoretical Study of the [Cr(D2O)6]2+ Cation in Tutton's Salts","Journal of the American Chemical Society","2004","126","","16639","16652","10.1021/ja046095c","","","0.71073","MoKα","","0.0397","0.0313","","","0.0634","0.0683","","","","","","1.243","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113287","6.2446","0.0009","12.4595","0.0015","9.327","0.0014","90","","105.269","0.012","90","","700.07","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr H12 O14 Rb2 S2 -","- Cr H12 O14 Rb2 S2 -","- Cr2 H24 O28 Rb4 S4 -","2","0.5","","Christopher Dobe; Christopher Noble; Graham Carver; Philip L. W. Tregenna-Piggott; Garry J. McIntyre; Anne-Laure Barra; Antonia Neels; Stefan Janssen; Fanni Juranyi","Electronic and Molecular Structure of High-Spin d4 Complexes: Experimental and Theoretical Study of the [Cr(D2O)6]2+ Cation in Tutton's Salts","Journal of the American Chemical Society","2004","126","","16639","16652","10.1021/ja046095c","","","0.71073","MoKα","","0.0404","0.0354","","","0.0835","0.0873","","","","","","1.117","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113288","6.2163","0.0012","12.3824","0.0016","9.26","0.0015","90","","104.858","0.014","90","","688.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr H12 O14 Rb2 S2 -","- Cr H12 O14 Rb2 S2 -","- Cr2 H24 O28 Rb4 S4 -","2","0.5","","Christopher Dobe; Christopher Noble; Graham Carver; Philip L. W. Tregenna-Piggott; Garry J. McIntyre; Anne-Laure Barra; Antonia Neels; Stefan Janssen; Fanni Juranyi","Electronic and Molecular Structure of High-Spin d4 Complexes: Experimental and Theoretical Study of the [Cr(D2O)6]2+ Cation in Tutton's Salts","Journal of the American Chemical Society","2004","126","","16639","16652","10.1021/ja046095c","","","0.71073","MoKα","","0.0365","0.0339","","","0.0824","0.0842","","","","","","1.088","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113289","7.0736","0.0012","11.0952","0.0017","16.481","0.002","100.924","0.007","52.792","0.01","100.947","0.005","1006.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(9-fluorenone oxime)0.46","","- C19.98 H12.12 N4.46 Ni O4.46 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1489","0.102","","0.3358","0.2954","","","","","1.076","1.076","","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113290","7.2842","0.0008","11.1375","0.0017","16.5528","0.0013","101.459","0.007","51.297","0.005","100.017","0.006","1024.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(naphthalene)1/2","","- C19 H14 N4 Ni O4 S2 -","- C19 H14 N4 Ni O4 S2 -","- C38 H28 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.0466","0.037","","0.1092","0.1037","","","","","1.117","1.117","","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113291","7.163","0.002","11.161","0.003","16.542","0.004","100.841","0.011","51.733","0.016","101.075","0.013","1014.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(1,5-naphthalenediol)1/2","","- C19 H14 N4 Ni O5 S2 -","- C19 H14 N4 Ni O5 S2 -","- C38 H28 N8 Ni2 O10 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1531","0.0769","","0.2561","0.2142","","","","","1.001","1.001","","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113292","7.2337","0.0007","11.0126","0.0013","16.7266","0.0016","104.59","0.003","54.736","0.005","97.602","0.008","1052.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II)- bis(/m-thiocyanato-N,N',S,S')(anthracene)1/2","","- C21 H15 N4 Ni O4 S2 -","- C21 H15 N4 Ni O4 S2 -","- C42 H30 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.0571","0.0393","","","0.1151","0.1408","","","","","","1.156","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113293","9.6457","0.0004","10.9995","0.0004","18.0253","0.0008","116.502","0.002","55.617","0.002","131.927","0.001","1166.84","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(perylene)1/2","","- C24 H16 N4 Ni O4 S2 -","- C24 H16 N4 Ni O4 S2 -","- C48 H32 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1014","0.0569","","0.129","0.114","","","","","1.118","1.118","","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113294","9.5502","0.0013","11.0709","0.0005","16.5435","0.0012","101.862","0.005","54.837","0.01","127.758","0.008","1100.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(anthraquinone)1/2","","- C21 H14 N4 Ni O5 S2 -","- C21 H14 N4 Ni O5 S2 -","- C42 H28 N8 Ni2 O10 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1139","0.063","","0.1485","0.131","","","","","1.146","1.146","","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113295","7.1699","0.0008","11.1246","0.0007","16.4395","0.001","101.177","0.004","52.427","0.003","100.679","0.006","1015.75","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(phenanthrene)0.33","","- C18.62 H13.3 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.164","0.1013","","0.3149","0.2748","","","","","1.121","1.121","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113296","14.5177","0.0012","11.1164","0.0008","17.036","0.0014","105.706","0.005","64.698","0.006","76.696","0.005","2195.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(azobenzene)1/2","","- C40 H30 N10 Ni2 O8 S4 -","- C40 H30 N10 Ni2 O8 S4 -","- C80 H60 N20 Ni4 O16 S8 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.137","0.0739","","0.178","0.1524","","","","","1.101","1.101","","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113297","7.2428","0.0005","11.0733","0.0003","16.465","0.0005","100.343","0.003","50.698","0.003","100.469","0.002","1001.22","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(p-terphenyl)0.45","","- C22.1 H16.3 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1211","0.093","","0.3246","0.2955","","","","","1.092","1.092","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113298","10.0252","0.0018","11.0678","0.0009","17.9626","0.0018","114.955","0.007","50.81","0.015","131.827","0.013","1151.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(benz[a]anthracene)1/2","","- C23 H16 N4 Ni O4 S2 -","- C23 H16 N4 Ni O4 S2 -","- C46 H32 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1105","0.067","","0.1772","0.1553","","","","","1.096","1.096","","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113299","14.588","0.003","11.1003","0.0015","17.026","0.003","106.347","0.012","64.069","0.011","77.091","0.005","2179","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(benzoic acid pheny ester)1/2","","- C41 H30 N8 Ni2 O10 S4 -","- C41 H30 N8 Ni2 O10 S4 -","- C82 H60 N16 Ni4 O20 S8 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1603","0.0878","","0.2647","0.2175","","","","","1.056","1.056","","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113300","7.1364","0.0005","11.1042","0.0012","16.4885","0.0012","100.589","0.004","51.94","0.003","100.65","0.003","1006.94","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(styrene)0.5","","- C18 H14 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1372","0.0846","","0.2815","0.2455","","","","","1.115","1.115","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113301","7.5146","0.0005","11.1072","0.001","16.5035","0.0012","102.267","0.004","52.054","0.003","96.638","0.004","1061.27","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II)- bis(μ-thiocyanato-N,N',S,S')(biphenyl)1/2","","- C20 H15 N4 Ni O4 S2 -","- C20 H15 N4 Ni O4 S2 -","- C40 H30 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.0565","0.0387","","","0.101","0.1103","","","","","","1.111","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113302","14.4712","0.0002","11.0881","0.0004","16.6043","0.0007","103.158","0.003","65.352","0.002","75.672","0.002","2174.34","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(thianthrene)1/2","","- C40 H28 N8 Ni2 O8 S6 -","- C40 H28 N8 Ni2 O8 S6 -","- C80 H56 N16 Ni4 O16 S12 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1432","0.0731","","0.1621","0.1383","","","","","1.093","1.093","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113303","7.1429","0.0008","11.1149","0.0011","16.2907","0.0018","98.958","0.007","53.86","0.005","99.271","0.004","1027.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(1,4-diethynylbenzene)1/2","","- C19 H13 N4 Ni O4 S2 -","- C19 H13 N4 Ni O4 S2 -","- C38 H26 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1362","0.0721","","0.1894","0.1586","","","","","1.089","1.089","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113304","14.8275","0.0007","11.0772","0.0004","16.5228","0.001","101.697","0.004","64.114","0.005","74.884","0.003","2194.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(9,10-dihydroanthracene)1/2","","- C42 H32 N8 Ni2 O8 S4 -","- C42 H32 N8 Ni2 O8 S4 -","- C84 H64 N16 Ni4 O16 S8 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1844","0.0902","","0.2045","0.164","","","","","1.096","1.096","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113305","17.874","0.0008","11.197","0.0005","16.9305","0.0007","103.836","0.003","78.041","0.004","86.77","0.002","3198.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(triphenylene)1/3","","- C60 H42 N12 Ni3 O12 S6 -","- C60 H42 N12 Ni3 O12 S6 -","- C120 H84 N24 Ni6 O24 S12 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.3059","0.1448","","0.3699","0.289","","","","","1.103","1.103","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113306","14.6748","0.0007","11.0746","0.0004","18.0503","0.0007","115.604","0.003","70.413","0.003","77.837","0.002","2263.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato,N,N',S,S')(diphenylbutadiyne)1/2","","- C44 H30 N8 Ni2 O8 S4 -","- C44 H30 N8 Ni2 O8 S4 -","- C88 H60 N16 Ni4 O16 S8 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.164","0.0742","","0.1703","0.136","","","","","1.034","1.034","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113307","7.5181","0.0007","11.0616","0.0008","16.8055","0.0013","104.147","0.003","51.741","0.003","98.91","0.006","1064.12","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(fluorene)0.45","","- C20 H14.5 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1653","0.1254","","0.4043","0.3691","","","","","1.582","1.582","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113308","7.1116","0.0009","11.1365","0.0014","16.594","0.002","101.335","0.004","52.758","0.005","101.198","0.008","1021","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(mesitylene)0.55","","- C18.95 H16.6 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.0903","0.0731","","0.2563","0.2367","","","","","1.109","1.109","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113309","7.1019","0.0011","11.068","0.002","16.4866","0.0019","100.256","0.008","51.497","0.008","100.532","0.004","993.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(naphthacene)0.45","","- C22.1 H15.4 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1076","0.0753","","0.2834","0.2547","","","","","1.147","1.147","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113310","35.3779","0.0019","14.9202","0.0008","31.2333","0.0017","90","","103.534","0.001","90","","16028.5","1.5","80","2","80","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H72 I6 N12 Zn3 -","- C78 H72 I6 N12 Zn3 -","- C624 H576 I48 N96 Zn24 -","8","1","","Osamu Ohmori; Masaki Kawano; Makoto Fujita","Crystal-to-Crystal Guest Exchange of Large Organic Molecules within a 3D Coordination Network","Journal of the American Chemical Society","2004","126","","16292","16293","10.1021/ja046478a","","","0.71073","MoKα","","0.1071","0.0532","","","0.1129","0.1446","","","","","","1.032","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113311","35.318","0.003","14.8209","0.0012","31.354","0.003","90","","102.884","0.001","90","","15999","2","80","2","80","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68.21 H63.9 I6 N12 Zn3 -","- C68.304 H63.97 I6 N12 Zn3 -","- C546.432 H511.76 I48 N96 Zn24 -","8","1","","Osamu Ohmori; Masaki Kawano; Makoto Fujita","Crystal-to-Crystal Guest Exchange of Large Organic Molecules within a 3D Coordination Network","Journal of the American Chemical Society","2004","126","","16292","16293","10.1021/ja046478a","","","0.71073","MoKα","","0.1723","0.1098","","","0.299","0.3457","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113312","34.1126","0.0011","15.101","0.0005","30.2397","0.001","90","","101.117","0.001","90","","15285.2","0.9","78","2","78","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H36 I6 N13.5 O3 Zn3 -","- C71 H36 I6 N13.5 O3 Zn3 -","- C568 H288 I48 N108 O24 Zn24 -","8","1","","Osamu Ohmori; Masaki Kawano; Makoto Fujita","Crystal-to-Crystal Guest Exchange of Large Organic Molecules within a 3D Coordination Network","Journal of the American Chemical Society","2004","126","","16292","16293","10.1021/ja046478a","","","0.71073","MoKα","","0.1613","0.1075","","","0.2964","0.3423","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113313","34.235","0.004","14.9104","0.0015","31.387","0.003","90","","101.929","0.002","90","","15676","3","80","2","80","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59.99 H43.99 I6 N12 O1.33 P1.33 Zn3 -","- C59.958 H43.965 I6 N12 O1.331 P1.331 Zn3 -","- C479.664 H351.72 I48 N96 O10.648 P10.648 Zn24 -","8","1","","Osamu Ohmori; Masaki Kawano; Makoto Fujita","Crystal-to-Crystal Guest Exchange of Large Organic Molecules within a 3D Coordination Network","Journal of the American Chemical Society","2004","126","","16292","16293","10.1021/ja046478a","","","0.71073","MoKα","","0.2102","0.1284","","","0.3122","0.3689","","","","","","1.027","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113314","10.617","0.002","10.617","0.002","10.617","0.002","90","","90","","90","","1196.8","0.4","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","Manganese prussian blue analogue","","","- C4 H10.16 Mn1.67 N4 O5.08 -","- C4.02 Mn1.67 N4.02 O5.06 -","- C16.08 Mn6.68 N16.08 O20.24 -","4","0.0208333","","Patrick Franz; Christina Ambrus; Andreas Hauser; Dmitry Chernyshov; Marc Hostettler; Jürg Hauser; Lukas Keller; Karl Krämer; Helen Stoeckli-Evans; Philip Pattison; Hans-Beat Bürgi; Silvio Decurtins","Crystalline, Mixed-Valence Manganese Analogue of Prussian Blue: Magnetic, Spectroscopic, X-ray and Neutron Diffraction Studies","Journal of the American Chemical Society","2004","126","","16472","16477","10.1021/ja0465451","","","0.71069","MoKα","","0.0247","0.0228","","","0.059","0.0615","","","","","","1.227","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113315","10.451","0.003","20.497","0.006","16.753","0.005","90","0.0011","90.3493","0.0011","90","0.0011","3588.7","1.8","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-aquo-5-carbasilatrane","","","- C38 H55 O5 Si -","- C38 H55 O5 Si -","- C152 H220 O20 Si4 -","4","1","","Junji Kobayashi; Keiko Kawaguchi; Takayuki Kawashima","Water-Coordinated Neutral Silane Complex: A Frozen Intermediate of Hydrolysis of Alkoxysilanes","Journal of the American Chemical Society","2004","126","","16318","16319","10.1021/ja047249r","","","0.7107","MoKα","","0.0665","0.056","","","0.1194","0.1278","","","","","","1.126","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113316","13.158","0.001","13.577","0.001","16.16","0.002","90","","88.936","0.006","90","","2886.4","0.5","223.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 F6 Ir N2 P -","- C28 H28 F6 Ir N2 P -","- C112 H112 F24 Ir4 N8 P4 -","4","1","","Seiji Ogo; Keiji Uehara; Tsutomu Abura; Yoshihito Watanabe; Shunichi Fukuzumi","pH-Selective Synthesis and Structures of Alkynyl, Acyl, and Ketonyl Intermediates in Anti-Markovnikov and Markovnikov Hydrations of a Terminal Alkyne with a Water-Soluble Iridium Aqua Complex in Water","Journal of the American Chemical Society","2004","126","","16520","16527","10.1021/ja0473541","","","0.7107","MoKα","","","0.0556","","","","0.1551","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113317","14.873","0.005","12.882","0.004","29.567","0.01","90","","95.768","0.004","90","","5636","3","173.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 F6 Ir N2 O P -","- C28 H30 F6 Ir N2 O P -","- C224 H240 F48 Ir8 N16 O8 P8 -","8","2","","Seiji Ogo; Keiji Uehara; Tsutomu Abura; Yoshihito Watanabe; Shunichi Fukuzumi","pH-Selective Synthesis and Structures of Alkynyl, Acyl, and Ketonyl Intermediates in Anti-Markovnikov and Markovnikov Hydrations of a Terminal Alkyne with a Water-Soluble Iridium Aqua Complex in Water","Journal of the American Chemical Society","2004","126","","16520","16527","10.1021/ja0473541","","","0.7107","MoKα","","","0.0449","","","","0.0982","","","","","","0.915","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113318","9.2545","0.0007","18.09","0.002","23.917","0.002","90","","90","","90","","4004","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C176 H112 N16 S32 -","16","2","","Christopher A. Thomas; Kyukwan Zong; Khalil A. Abboud; Peter J. Steel; John R. Reynolds","Donor-Mediated Band Gap Reduction in a Homologous Series of Conjugated Polymers","Journal of the American Chemical Society","2004","126","","16440","16450","10.1021/ja048637w","","","0.71073","MoKα","","0.1026","0.056","","","0.1262","0.1531","","","","","","1.014","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113319","18.606","0.003","12.069","0.0018","5.5511","0.0008","90","","90","","90","","1246.5","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","EDOT-CNV-Th","","","- C13 H9 N O2 S2 -","- C13 H9 N O2 S2 -","- C52 H36 N4 O8 S8 -","4","1","","Christopher A. Thomas; Kyukwan Zong; Khalil A. Abboud; Peter J. Steel; John R. Reynolds","Donor-Mediated Band Gap Reduction in a Homologous Series of Conjugated Polymers","Journal of the American Chemical Society","2004","126","","16440","16450","10.1021/ja048637w","","","0.71073","MoKα","","0.0417","0.0314","","","0.0692","0.0731","","","","","","1.057","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113320","4.942","0.001","10.082","0.002","23.879","0.003","90","","90.43","0.01","90","","1189.7","0.4","148","2","148","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Th-CNV-EDOT","","","- C13 H9 N O2 S2 -","- C13 H9 N O2 S2 -","- C52 H36 N4 O8 S8 -","4","1","","Christopher A. Thomas; Kyukwan Zong; Khalil A. Abboud; Peter J. Steel; John R. Reynolds","Donor-Mediated Band Gap Reduction in a Homologous Series of Conjugated Polymers","Journal of the American Chemical Society","2004","126","","16440","16450","10.1021/ja048637w","","","0.71073","MoKα","","0.0829","0.0394","","","0.0682","0.0738","","","","0.98","0.98","0.757","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113321","8.0521","0.0004","9.5708","0.0005","10.3402","0.0005","107.617","0.001","94.428","0.001","113.677","0.001","677.29","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 N2 O4 S -","- C15 H12 N2 O4 S -","- C30 H24 N4 O8 S2 -","2","1","","Christopher A. Thomas; Kyukwan Zong; Khalil A. Abboud; Peter J. Steel; John R. Reynolds","Donor-Mediated Band Gap Reduction in a Homologous Series of Conjugated Polymers","Journal of the American Chemical Society","2004","126","","16440","16450","10.1021/ja048637w","","","0.71073","MoKα","","0.0386","0.0352","","","0.0949","0.0979","","","","","","1.032","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113322","7.431","0.003","17.951","0.007","11.478","0.004","90","","95.736","0.005","90","","1523.4","1","193.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 F3 N O3 S Te -","- C11 H14 F3 N O3 S Te -","- C44 H56 F12 N4 O12 S4 Te4 -","4","1","","Yuichiro Mutoh; Toshiaki Murai; Shigeru Yamago","Acyclic Telluroiminium Salts: Isolation and Characterization","Journal of the American Chemical Society","2004","126","","16696","16697","10.1021/ja044022n","","","0.7107","MoKα","","","0.0376","","","","0.1072","","","","","","1.311","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113323","22.4832","0.0006","25.2863","0.0007","31.2864","0.0008","81.514","0.002","80.2321","0.0014","78.3354","0.0009","17048.4","0.8","120","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C281 H345 Br4 Cl15 O59 -","- C266 H310 Br4 Cl15 O59 -","- C532 H620 Br8 Cl30 O118 -","2","1","","Elizabeth S. Barrett; Jacob L. Irwin; Alison J. Edwards; Michael S. Sherburn","Superbowl Container Molecules","Journal of the American Chemical Society","2004","126","","16747","16749","10.1021/ja044405l","","","0.71073","MoKα","","0.1062","0.1062","","0.0764","0.0764","0.0764","","","","","","1.0264","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113324","29.162","0.003","29.162","0.003","30.451","0.006","90","","90","","90","","25896","6","80","2","80","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C149 H96 N48 O76 Pd6 -","- C149 H115 N48 O76 Pd6 -","- C596 H460 N192 O304 Pd24 -","4","0.5","","Koji Nakabayashi; Masaki Kawano; Michito Yoshizawa; Shin-ichi Ohkoshi; Makoto Fujita","Cavity-Induced Spin-Spin Interaction between Organic Radicals within a Self-Assembled Coordination Cage","Journal of the American Chemical Society","2004","126","","16694","16695","10.1021/ja044445p","","","0.71073","MoKα","","0.2924","0.1504","","","0.3338","0.4164","","","","","","1.045","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113325","11.244","0.003","13.777","0.003","15.447","0.003","69.953","0.003","89.78","0.004","79.225","0.004","2203.5","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H50 F4 Fe O12 -","- C46 H50 F4 Fe O12 -","- C92 H100 F8 Fe2 O24 -","2","1","","Sungho Yoon; Stephen J. Lippard","Water-Dependent Reactions of Diiron(II) Carboxylate Complexes","Journal of the American Chemical Society","2004","126","","16692","16693","10.1021/ja044489y","","","0.71073","MoKα","","0.0561","0.0501","","","0.1278","0.1333","","","","","","1.065","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113326","14.537","0.003","15.812","0.003","20.001","0.004","92.153","0.003","109.997","0.003","98.874","0.003","4248.3","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H82 F8 Fe2 O15 -","- C92 H82 F8 Fe2 O15 -","- C184 H164 F16 Fe4 O30 -","2","1","","Sungho Yoon; Stephen J. Lippard","Water-Dependent Reactions of Diiron(II) Carboxylate Complexes","Journal of the American Chemical Society","2004","126","","16692","16693","10.1021/ja044489y","","","0.71073","MoKα","","0.0709","0.0523","","","0.1452","0.1606","","","","","","0.94","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113327","13.645","0.002","16.523","0.003","16.777","0.003","93.187","0.003","107.174","0.003","95.246","0.003","3585.1","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C173 H136 F16 Fe4 O22 -","- C173 H124 F16 Fe4 O22 -","- C173 H124 F16 Fe4 O22 -","1","0.5","","Sungho Yoon; Stephen J. Lippard","Water-Dependent Reactions of Diiron(II) Carboxylate Complexes","Journal of the American Chemical Society","2004","126","","16692","16693","10.1021/ja044489y","","","0.71073","MoKα","","0.0651","0.0483","","","0.1136","0.1251","","","","","","0.921","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113328","5.7601","0.0015","16.182","0.004","24.356","0.006","90","","92.95","0.004","90","","2267.2","1","110","2","110","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 -","- C29 H38 -","- C116 H152 -","4","1","","Levi J. Irwin; Joseph H. Reibenspies; Stephen A. Miller","A Sterically Expanded ""Constrained Geometry Catalyst"" for Highly Active Olefin Polymerization and Copolymerization: An Unyielding Comonomer Effect","Journal of the American Chemical Society","2004","126","","16716","16717","10.1021/ja044678g","","","0.71073","MoKα","","0.0898","0.0654","","","0.1479","0.1588","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113329","24.079","0.006","11.723","0.003","14.917","0.003","90","","109.199","0.005","90","","3976.6","1.6","110","2","110","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H61 Cl2 N O Si Zr -","- C39 H61 Cl2 N O Si Zr -","- C156 H244 Cl8 N4 O4 Si4 Zr4 -","4","1","","Levi J. Irwin; Joseph H. Reibenspies; Stephen A. Miller","A Sterically Expanded ""Constrained Geometry Catalyst"" for Highly Active Olefin Polymerization and Copolymerization: An Unyielding Comonomer Effect","Journal of the American Chemical Society","2004","126","","16716","16717","10.1021/ja044678g","","","0.71073","MoKα","","0.0928","0.0618","","","0.0907","0.0985","","","","","","1.046","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113330","8.7505","0.0008","21.6323","0.0015","13.6254","0.0008","90","","95.697","0.006","90","","2566.5","0.3","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23.5 H35 Cl3 N2 O2 Ru -","- C23.5 H35 Cl3 N2 O2 Ru -","- C94 H140 Cl12 N8 O8 Ru4 -","4","1","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.71073","MoKα","","0.0536","0.0422","","","0.1157","0.1223","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113331","9.3253","0.0006","16.161","0.005","17.709","0.006","90","","94.734","0.014","90","","2659.8","1.2","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H32.5 Cl3.5 N2 O3 Ru -","- C22.5 H32.5 Cl3.5 N2 O3 Ru -","- C90 H130 Cl14 N8 O12 Ru4 -","4","1","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.7107","MoKα","","0.0679","0.0527","","","0.1481","0.1659","","","","","","1.188","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113332","8.864","0.001","18.626","0.006","14.885","0.005","90","","100.814","0.019","90","","2413.9","1.2","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H30.5 Cl3.5 N2 O2 Ru -","- C20.5 H30.5 Cl3.5 N2 O2 Ru -","- C82 H122 Cl14 N8 O8 Ru4 -","4","1","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.7107","MoKα","","0.0625","0.0451","","","0.1221","0.1339","","","","","","1.213","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113333","13.0075","0.0009","24.6431","0.0014","18.6453","0.0009","90","","90.045","0.005","90","","5976.7","0.6","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H84 N6 O12 Ru3 -","- C60 H78 N6 O12 Ru3 -","- C240 H312 N24 O48 Ru12 -","4","1","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.71073","MoKα","","0.0659","0.0479","","","0.118","0.1276","","","","","","1.071","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113334","15.289","0.003","15.347","0.003","16.3869","0.0011","103.747","0.011","97.591","0.011","95.256","0.016","3671.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H101 N9 O7 Ru3 -","- C75 H99 N9 O7 Ru3 -","- C150 H198 N18 O14 Ru6 -","2","1","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.7107","MoKα","","0.0825","0.0655","","","0.1783","0.2039","","","","","","1.104","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113335","26.0844","0.0007","26.0844","0.0007","26.0844","0.0007","90","","90","","90","","17747.7","0.8","140","2","140","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C90 H117 N9 O6 Rh3 -","- C90 H117 N9 O6 Rh3 -","- C720 H936 N72 O48 Rh24 -","8","0.333333","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.71073","MoKα","","0.029","0.0265","","","0.0648","0.0656","","","","","","1.11","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113336","18.832","0.004","18.832","0.004","13.812","0.005","90","","90","","120","","4242","2","140","2","140","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C60 H81 Ir3 N6 O9 -","- C60 H81 Ir3 N6 O9 -","- C180 H243 Ir9 N18 O27 -","3","0.333333","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.7107","MoKα","","0.0388","0.0314","","","0.0537","0.0566","","","","","","1.013","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113337","8.6222","0.0003","14.5198","0.0005","18.6551","0.0006","90","","99.896","0.001","90","","2300.73","0.13","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H52 N2 O4 P2 Pd -","- C56 H52 N2 O4 P2 Pd -","- C112 H104 N4 O8 P4 Pd2 -","2","1","","Brenda J. Burke; Larry E. Overman","Enantioselective Synthesis of Six-Membered Palladacycles Having Metal-Bound Stereogenic Carbons: Isolation and Reactivity of Palladacycles Containing Readily Accessible β-Hydrogens","Journal of the American Chemical Society","2004","126","","16820","16833","10.1021/ja045047p","","","0.71073","MoKα","","0.0347","0.028","","","0.0549","0.0578","","","","","","1.043","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113338","11.6198","0.0004","32.9442","0.0012","15.9498","0.0006","90","","90.559","0.001","90","","6105.4","0.4","163","2","163","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73.5 H64 N2 O6.5 P2 Pd -","- C73.5 H64 N2 O6.5 P2 Pd -","- C294 H256 N8 O26 P8 Pd4 -","4","2","","Brenda J. Burke; Larry E. Overman","Enantioselective Synthesis of Six-Membered Palladacycles Having Metal-Bound Stereogenic Carbons: Isolation and Reactivity of Palladacycles Containing Readily Accessible β-Hydrogens","Journal of the American Chemical Society","2004","126","","16820","16833","10.1021/ja045047p","","","0.71073","MoKα","","0.0633","0.0472","","","0.1163","0.1256","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113339","10.9672","0.0007","14.5309","0.0011","18.2316","0.0016","90","","103.747","0.003","90","","2822.2","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Zr -","- C34 H46 Zr -","- C136 H184 Zr4 -","4","1","","Christopher A. Bradley; Ivan Keresztes; Emil Lobkovsky; Victor G. Young; Paul J. Chirik","Zirconium Sandwich Complexes with η9 Indenyl Ligands: Well-Defined Precursors for Zirconocene-Mediated Coupling Reactions","Journal of the American Chemical Society","2004","126","","16937","16950","10.1021/ja045072v","","","0.71073","MoKα","","0.1123","0.0498","","","0.0774","0.0919","","","","","","0.963","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113340","10.8131","0.0006","13.2683","0.0007","17.2953","0.0009","90","","94.115","0.001","90","","2475","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Zr -","- C30 H38 Zr -","- C120 H152 Zr4 -","4","1","","Christopher A. Bradley; Ivan Keresztes; Emil Lobkovsky; Victor G. Young; Paul J. Chirik","Zirconium Sandwich Complexes with η9 Indenyl Ligands: Well-Defined Precursors for Zirconocene-Mediated Coupling Reactions","Journal of the American Chemical Society","2004","126","","16937","16950","10.1021/ja045072v","","","0.71073","MoKα","","0.082","0.0423","","","0.0754","0.086","","","","","","0.988","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113341","15.7325","0.0013","17.0445","0.0015","17.9558","0.0015","73.1","0.002","76.224","0.002","80.831","0.002","4453.3","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H132 Si8 Zr2 -","- C84 H134 Si8 Zr2 -","- C168 H268 Si16 Zr4 -","2","1","","Christopher A. Bradley; Ivan Keresztes; Emil Lobkovsky; Victor G. Young; Paul J. Chirik","Zirconium Sandwich Complexes with η9 Indenyl Ligands: Well-Defined Precursors for Zirconocene-Mediated Coupling Reactions","Journal of the American Chemical Society","2004","126","","16937","16950","10.1021/ja045072v","","","0.71073","MoKα","","0.1111","0.0632","","","0.1229","0.1379","","","","","","1.084","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113342","13.3944","0.0015","15.5061","0.0017","15.1833","0.0017","90","","114.473","0.002","90","","2870.2","0.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 F3 O3 P3 S -","- C28 H28 F3 O3 P3 S -","- C112 H112 F12 O12 P12 S4 -","4","1","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","x-ray","0.71073","MoKα","","0.1067","0.0654","","","0.1577","0.18","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113343","10.8925","0.0004","11.9222","0.0004","12.5883","0.0004","80.674","0.001","78.371","0.001","70.066","0.001","1497.51","0.09","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cl4 Ga P3 -","- C27 H28 Cl4 Ga P3 -","- C54 H56 Cl8 Ga2 P6 -","2","1","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","x-ray","0.71073","MoKα","","0.0467","0.0397","","","0.0991","0.104","","","","","","1.036","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113344","8.2272","0.0003","21.9817","0.0008","10.2503","0.0004","90","","110.83","0.001","90","","1732.58","0.11","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H32 F3 O3 P3 S -","- C38 H32 F3 O3 P3 S -","- C76 H64 F6 O6 P6 S2 -","2","1","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","","0.71073","MoKα","","0.0365","0.0322","","","0.0738","0.0757","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113345","23.017","0.006","9.523","0.003","18.06","0.005","90","","94.016","0.005","90","","3949","2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H34 Cl8 Ga2 P4 -","- C29 H34 Cl8 Ga2 P4 -","- C116 H136 Cl32 Ga8 P16 -","4","0.5","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","","0.71073","MoKα","","0.0893","0.0649","","","0.1626","0.1806","","","","","","1.038","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113346","11.9005","0.0007","19.0058","0.0011","12.6136","0.0008","90","","109.699","0.001","90","","2686","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 Cl8 Ga2 P4 -","- C50 H44 Cl8 Ga2 P4 -","- C100 H88 Cl16 Ga4 P8 -","2","0.5","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","x-ray","0.71073","MoKα","","0.0376","0.0305","","","0.0753","0.079","","","","","","1.045","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113347","9.542","0.0007","9.8206","0.0007","11.7943","0.0008","73.331","0.001","88.757","0.001","73.198","0.001","1011.32","0.12","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Cl8 Ga2 P4 -","- C30 H36 Cl8 Ga2 P4 -","- C30 H36 Cl8 Ga2 P4 -","1","0.5","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","","0.71073","MoKα","","0.0364","0.0323","","","0.0855","0.0884","","","","","","1.048","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113348","27.485","0.002","10.863","0.0008","26.3827","0.0019","90","","112.326","0.001","90","","7286.6","0.9","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H34 F6 O6 P4 S2 -","- C31 H34 F6 O6 P4 S2 -","- C248 H272 F48 O48 P32 S16 -","8","1","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","","0.71073","MoKα","","0.0743","0.0462","","","0.1045","0.1171","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113349","23.0184","0.0012","17.8172","0.0009","16.7989","0.0009","90","","106.903","0.001","90","","6592","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Cl8 Ga2 P4 -","- C34 H36 Cl8 Ga2 P4 -","- C204 H216 Cl48 Ga12 P24 -","6","1.5","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","","0.71073","MoKα","","0.127","0.0811","","","0.2193","0.2518","","","","","","1.033","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113350","16.6331","0.0008","16.6331","0.0008","23.423","0.002","90","","90","","90","","6480.2","0.7","173","2","173","2","","","","","","","Nermeen W. Aboelella","4","P -4 21 c","P -4 2n","114","04027","","","- C66 H86 Cu2 N6 -","- C66 H86 Cu2 N6 -","- C264 H344 Cu8 N24 -","4","0.5","","Nermeen W. Aboelella; Sergey V. Kryatov; Benjamin F. Gherman; William W. Brennessel; Victor G. Young; Ritimukta Sarangi; Elena V. Rybak-Akimova; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Christopher J. Cramer; William B. Tolman","Dioxygen Activation at a Single Copper Site: Structure, Bonding, and Mechanism of Formation of 1:1 Cu-O2 Adducts","Journal of the American Chemical Society","2004","126","","16896","16911","10.1021/ja045678j","","","0.71073","MoKα","","0.0505","0.0387","","","0.0886","0.0935","","","","","","1.059","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113351","8.8419","0.0008","20.167","0.0018","20.2321","0.0018","102.313","0.002","96.573","0.002","97.252","0.002","3459.1","0.5","173","2","173","2","","","","","","","Nermeen W. Aboelella","5","P -1","-P 1","2","04049m","","","- C37 H48 Cu N3 O -","- C37 H48 Cu N3 O -","- C148 H192 Cu4 N12 O4 -","4","2","","Nermeen W. Aboelella; Sergey V. Kryatov; Benjamin F. Gherman; William W. Brennessel; Victor G. Young; Ritimukta Sarangi; Elena V. Rybak-Akimova; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Christopher J. Cramer; William B. Tolman","Dioxygen Activation at a Single Copper Site: Structure, Bonding, and Mechanism of Formation of 1:1 Cu-O2 Adducts","Journal of the American Chemical Society","2004","126","","16896","16911","10.1021/ja045678j","","","0.71073","MoKα","","0.0533","0.0382","","","0.0975","0.1072","","","","","","1.036","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113352","15.464","0.004","17.324","0.004","8.763","0.002","90","","90","","90","","2347.6","1","100","2","100","2","","","","","","","Nermeen W. Aboelella","5","I m m 2","I 2 -2","44","CMC080F","","","- C35 H53 Cu N2 O2 -","- C35 H53 Cu N2 O2 -","- C70 H106 Cu2 N4 O4 -","2","0.25","","Nermeen W. Aboelella; Sergey V. Kryatov; Benjamin F. Gherman; William W. Brennessel; Victor G. Young; Ritimukta Sarangi; Elena V. Rybak-Akimova; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Christopher J. Cramer; William B. Tolman","Dioxygen Activation at a Single Copper Site: Structure, Bonding, and Mechanism of Formation of 1:1 Cu-O2 Adducts","Journal of the American Chemical Society","2004","126","","16896","16911","10.1021/ja045678j","","","0.55936","APSsynchrotron","","0.1022","0.0936","","","0.2338","0.243","","","","","","1.291","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4113353","14.739","0.003","10.7869","0.0019","15.771","0.003","90","","90","","90","","2507.4","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[Cr(Cp*)2][MTCE]","","","- C27 H33 Cr N3 O2 -","- C27 H33 Cr N3 O2 -","- C108 H132 Cr4 N12 O8 -","4","0.5","","Guangbin Wang; Carla Slebodnick; Ray J. Butcher; Mary C. Tam; T. Daniel Crawford; Gordon T. Yee","A Family of Decamethylmetallocene Charge-Transfer Salt Magnets Using Methyl Tricyanoethylenecarboxylate (MTCE) as the Electron Acceptor","Journal of the American Chemical Society","2004","126","","16890","16895","10.1021/ja0457213","","x-ray","1.54178","CuKα","","0.0744","0.0671","","","0.1654","0.1697","","","","","","1.171","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113354","12.5559","0.0007","14.3901","0.0009","15.6599","0.0009","104.293","0.001","96.235","0.001","102.114","0.001","2642.1","0.3","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H64 Cl N3 O12 Pd -","- C56 H64 Cl N3 O12 Pd -","- C112 H128 Cl2 N6 O24 Pd2 -","2","1","","Il Yoon; Mamiko Narita; Toshimi Shimizu; Masumi Asakawa","Threading-Followed-by-Shrinking Protocol for the Synthesis of a [2]Rotaxane Incorporating a Pd(II)-Salophen Moiety","Journal of the American Chemical Society","2004","126","","16740","16741","10.1021/ja0464490","","","0.71073","MoKα","","0.0405","0.0357","","","0.0958","0.0993","","","","","","1.029","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113355","12.574","0.003","19.237","0.004","12.93","0.003","90","","92.821","0.004","90","","3123.8","1.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","01160","","","- C27 H24 F6 Fe N6 O6 S2 -","- C27 H24 F6 Fe N6 O6 S2 -","- C108 H96 F24 Fe4 N24 O24 S8 -","4","1","","Jan-Uwe Rohde; Stéphane Torelli; Xiaopeng Shan; Mi Hee Lim; Eric J. Klinker; József Kaizer; Kui Chen; Wonwoo Nam; Lawrence Que","Structural Insights into Nonheme Alkylperoxoiron(III) and Oxoiron(IV) Intermediates by X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2004","126","","16750","16761","10.1021/ja047667w","","","0.71073","MoKα","","0.1069","0.0678","","","0.146","0.1619","","","","","","1.055","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4113356","9.209","0.006","13.755","0.01","15.137","0.011","96.651","0.012","100.815","0.013","109.097","0.012","1747","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","Benzyl Trispic Iron (II)","","","- C31 H34 F6 Fe N5 O6.5 S2 -","- C29 H29 F6 Fe N5 O6 S2 -","- C58 H58 F12 Fe2 N10 O12 S4 -","2","1","","Jan-Uwe Rohde; Stéphane Torelli; Xiaopeng Shan; Mi Hee Lim; Eric J. Klinker; József Kaizer; Kui Chen; Wonwoo Nam; Lawrence Que","Structural Insights into Nonheme Alkylperoxoiron(III) and Oxoiron(IV) Intermediates by X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2004","126","","16750","16761","10.1021/ja047667w","","","0.71073","MoKα","","0.0599","0.0513","","","0.1409","0.1479","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113357","6.6479","0.0013","13.622","0.003","18.25","0.004","92.781","0.003","92.28","0.003","97.751","0.003","1633.9","0.6","193","2","193","2","","","","","","","","8","P -1","-P 1","2","EISTH14","4'-(p-nicotinamide-N-methylphenyl)-2,2':6',2''-terpyridine bis-hexafluoraphospate platinum (II) chloride (Red Form - Neat)","","- C28 H22 Cl F12 N5 O P2 Pt -","- C28 H22 Cl F12 N5 O P2 Pt -","- C56 H44 Cl2 F24 N10 O2 P4 Pt2 -","2","1","","Thaddeus J. Wadas; Quan-Ming Wang; Yong-joo Kim; Christine Flaschenreim; Thomas N. Blanton; Richard Eisenberg","Vapochromism and Its Structural Basis in a Luminescent Pt(II) Terpyridine-Nicotinamide Complex","Journal of the American Chemical Society","2004","126","","16841","16849","10.1021/ja047955s","","","0.71073","MoKα","","0.0619","0.0472","","","0.0914","0.0949","","","","","","1.105","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113358","6.7965","0.0007","13.8266","0.0014","18.1411","0.0018","94.816","0.002","94.531","0.002","96.362","0.002","1681.6","0.3","193","2","193","2","","","","","","","","8","P -1","-P 1","2","EISTH15","4'-(p-nicotinamide-N-methylphenyl)-2,2':6',2''-terpyridine bis-hexafluoraphospate platinum (II) chloride (Orange Form - Methanol In Lattice)","","- C29 H22 Cl F12 N5 O2 P2 Pt -","- C29 H22 Cl F12 N5 O2 P2 Pt -","- C58 H44 Cl2 F24 N10 O4 P4 Pt2 -","2","1","","Thaddeus J. Wadas; Quan-Ming Wang; Yong-joo Kim; Christine Flaschenreim; Thomas N. Blanton; Richard Eisenberg","Vapochromism and Its Structural Basis in a Luminescent Pt(II) Terpyridine-Nicotinamide Complex","Journal of the American Chemical Society","2004","126","","16841","16849","10.1021/ja047955s","","","0.71073","MoKα","","0.0862","0.0601","","","0.1231","0.1313","","","","","","1.051","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113359","6.6965","0.0012","13.718","0.002","18.274","0.003","92.771","0.003","92.453","0.003","97.378","0.003","1660.8","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","EISTH17","4'-(p-nicotinamide-N-methylphenyl)-2,2':6',2''-terpyridine bis-hexafluoraphospate platinum (II) chloride (Red Form - Neat - Room Temperature)","","- C28 H22 Cl F12 N5 O P2 Pt -","- C28 H22 Cl F12 N5 O P2 Pt -","- C56 H44 Cl2 F24 N10 O2 P4 Pt2 -","2","1","","Thaddeus J. Wadas; Quan-Ming Wang; Yong-joo Kim; Christine Flaschenreim; Thomas N. Blanton; Richard Eisenberg","Vapochromism and Its Structural Basis in a Luminescent Pt(II) Terpyridine-Nicotinamide Complex","Journal of the American Chemical Society","2004","126","","16841","16849","10.1021/ja047955s","","","0.71073","MoKα","","0.107","0.0664","","","0.1459","0.1637","","","","","","1.045","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113360","6.9285","0.0014","19.129","0.004","11.109","0.002","90","","99.456","0.004","90","","1452.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C72 H52 N4 O16 -","4","1","","Teruyuki Mitsumori; Michael Bendikov; Olivier Dautel; Fred Wudl; Takeshi Shioya; Hideki Sato; Yoshiharu Sato","Synthesis and Properties of Highly Fluorescent Indolizino[3,4,5-ab]isoindoles","Journal of the American Chemical Society","2004","126","","16793","16803","10.1021/ja049214x","","","0.71073","MoKα","","0.1658","0.0528","","","0.0964","0.1181","","","","","","0.839","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113361","3.8634","0.0003","14.7292","0.001","22.3403","0.0015","90","","90","","90","","1271.27","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Teruyuki Mitsumori; Michael Bendikov; Olivier Dautel; Fred Wudl; Takeshi Shioya; Hideki Sato; Yoshiharu Sato","Synthesis and Properties of Highly Fluorescent Indolizino[3,4,5-ab]isoindoles","Journal of the American Chemical Society","2004","126","","16793","16803","10.1021/ja049214x","","","0.71073","MoKα","","0.0439","0.035","","","0.0831","0.089","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113362","13.165","0.0014","3.9036","0.0004","15.4205","0.0016","90","","104.044","0.002","90","","768.79","0.14","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H14 N2 -","- C23 H14 N2 -","- C46 H28 N4 -","2","1","","Teruyuki Mitsumori; Michael Bendikov; Olivier Dautel; Fred Wudl; Takeshi Shioya; Hideki Sato; Yoshiharu Sato","Synthesis and Properties of Highly Fluorescent Indolizino[3,4,5-ab]isoindoles","Journal of the American Chemical Society","2004","126","","16793","16803","10.1021/ja049214x","","","0.71073","MoKα","","0.0495","0.0364","","","0.085","0.0929","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4122228","16.5583","0.0009","16.5583","0.0009","18.7408","0.0015","90","","90","","90","","5138.3","0.6","203.15","","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","[Fe4(3,5-Cl2-sae)4(MeOH)4]","","- C40 H44 Cl8 Fe4 N4 O12 -","- C40 H44 Cl8 Fe4 N4 O12 -","- C160 H176 Cl32 Fe16 N16 O48 -","4","0.25","","Oshio, Hiroki; Hoshino, Norihisa; Ito, Tasuku; Nakano, Motohiro","Single-molecule magnets of ferrous cubes: structurally controlled magnetic anisotropy.","Journal of the American Chemical Society","2004","126","28","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.0533","0.0296","","","0.0591","0.0626","","","","","","0.845","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122229","14.8579","0.0018","15.053","0.002","16.847","0.002","68.683","0.003","71.203","0.003","69.484","0.004","3204.5","0.7","203.15","","203.15","","","","","","","","","5","P -1","-P 1","2","","[Fe4(3-MeO-sap)4(MeOH)4]2MeOH","","- C50 H76 Fe4 N4 O18 -","- C50 H75 Fe4 N4 O18 -","- C100 H150 Fe8 N8 O36 -","2","1","","Oshio, Hiroki; Hoshino, Norihisa; Ito, Tasuku; Nakano, Motohiro","Single-molecule magnets of ferrous cubes: structurally controlled magnetic anisotropy.","Journal of the American Chemical Society","2004","126","28","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.1239","0.0812","","","0.253","0.2797","","","","","","0.933","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122230","17.0854","0.0018","17.0854","0.0018","18.391","0.002","90","","90","","90","","5368.5","1","203.15","","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","[Fe4(5-Br-sap)4(MeOH)4]","","- C44 H56 Br4 Fe4 N4 O12 -","- C44 H52 Br4 Fe4 N4 O12 -","- C176 H208 Br16 Fe16 N16 O48 -","4","0.25","","Oshio, Hiroki; Hoshino, Norihisa; Ito, Tasuku; Nakano, Motohiro","Single-molecule magnets of ferrous cubes: structurally controlled magnetic anisotropy.","Journal of the American Chemical Society","2004","126","28","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.0754","0.0612","","","0.1671","0.1763","","","","","","0.905","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122232","9.927","0.002","10.958","0.002","20.985","0.004","83.32","0.03","89.55","0.03","66.18","0.03","2072.2","0.9","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H46 N4 O4 Zn -","- C52 H46 N4 O4 Zn -","- C104 H92 N8 O8 Zn2 -","2","1","","Takacs, James M.; Reddy, D. Sahadeva; Moteki, Shin A.; Wu, Di; Palencia, Hector","Asymmetric catalysis using self-assembled chiral bidentate P,P-ligands.","Journal of the American Chemical Society","2004","126","14","4494","4495","10.1021/ja049873+","","","0.71073","MoKα","","0.0332","0.0309","","","0.0862","0.0877","","","","","","1.074","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122234","8.8228","0.0007","12.0316","0.0012","18.1669","0.0016","90","","90","","90","","1928.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H8 Cl2 N6 O4 -","- C18 H8 Cl2 N6 O4 -","- C72 H32 Cl8 N24 O16 -","4","1","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.0703","0.0288","","","0.0228","0.0256","","","","","","0.554","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122235","12.508","0.003","24.589","0.005","13.77","0.003","90","","99.06","0.03","90","","4182.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 Cl2 N7 O3.5 -","- C18 H9 Cl2 N7 O3.5 -","- C144 H72 Cl16 N56 O28 -","8","2","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.348","0.113","","","0.2518","0.3458","","","","","","0.818","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122236","21.2008","0.0009","8.2713","0.0003","21.3391","0.001","90","","95.009","0.002","90","","3727.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 Cl2 N8 O2 -","- C18 H10 Cl2 N8 O2 -","- C144 H80 Cl16 N64 O16 -","8","1","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.074","0.0465","","","0.1173","0.1313","","","","","","1.016","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122237","8.8051","0.0001","11.2289","0.0005","11.8862","0.0006","87.871","0.006","72.449","0.003","78.862","0.004","1099.12","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H21 Cl3 N8 O2 -","- C20.5 H20 Cl3 N8 O2 -","- C41 H40 Cl6 N16 O4 -","2","1","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.1384","0.0554","","","0.135","0.1564","","","","","","0.876","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122238","10.127","0.002","12.04","0.002","15.569","0.003","90","","90","","90","","1898.3","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H12 Cl2 N10 -","- C18 H12 Cl2 N10 -","- C72 H48 Cl8 N40 -","4","0.5","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.0532","0.0429","","","0.1185","0.1226","","","","","","1.003","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122239","15.95","0.02","9.169","0.013","20.89","0.03","90","","90","","90","","3055","7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Cl2 N10 O0.25 -","- C21 H18 Cl2 N10 O0.25 -","- C84 H72 Cl8 N40 O -","4","1","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.1104","0.083","","","0.2269","0.2588","","","","","","1.205","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122240","18.444","0.001","18.7666","0.0014","13.6773","0.0016","90","","104.276","0.004","90","","4587.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 N9 O2.5 -","- C20 H15 Cl2 N9 O2.5 -","- C160 H120 Cl16 N72 O20 -","8","2","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.2293","0.0543","","","0.0676","0.0868","","","","","","0.601","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122241","20.305","0.007","9.995","0.004","12.001","0.004","90","","107.289","0.005","90","","2325.5","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cl2 N10 -","- C22 H20 Cl2 N10 -","- C88 H80 Cl8 N40 -","4","0.5","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.0615","0.0412","","","0.1053","0.1159","","","","","","1.033","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4124116","10.44783","","14.9854","","8.83659","","90","","105.935","","90","","1330.33","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","C11.5 N4 H22 F2 (Si24 O48)","","- C10 F2 N4 O48 Si24 -","- C11 F2 N4 O48 Si24 -","- C11 F2 N4 O48 Si24 -","1","0.25","","Yang, X.; Camblor, M.A.; Olson, D.H.; Liu, H.; Lee, Y.","Synthesis and crystal structure of as-synthesized and calcined silica zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","","","","","","","","","","","","","","","","","","","","","","has coordinates","151946","2020-10-21","18:00:00",""
"4124531","13.533","","17.925","","17.651","","90","","90","","90","","4281.76","","","","","","","","","","","","","2","F m m m","-F 2 2","69","","Si72 O144","","- O144 Si72 -","- O144 Si72 -","- O144 Si72 -","1","0.03125","","Hong Suk Bong; Wright, P.A.; Lear, E.G.; Zhou Wuzong; Nam In-Sik; Cox, P.A.; Park Joo-Hyoung; Shin Chaeho","Synthesis, structure solution, characterization and catalytic properties of TNU-10: a high-silica zeolite with the STI topology","Journal of the American Chemical Society","2004","126","","5817","5826","","","","","","","","","","","","","","","","","","","","","","has coordinates","158450","2020-10-21","18:00:00",""
"4124532","3.80002","","3.80002","","22.6396","","90","","90","","90","","326.919","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li0.3 Y2 Ti2 O5 S2","","- Li0.3 O5 S2 Ti2 Y2 -","- Li0.3 O5 S2 Ti2 Y2 -","- Li0.6 O10 S4 Ti4 Y4 -","2","0.0625","","Hyett, G.; Hayward, M.A.; Gal, Z.A.; Denis, S.G.; Rutt, O.J.; Clarke, S.J.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0< x<2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","158498","2020-10-21","18:00:00",""
"4124533","3.83189","","3.91881","","22.3007","","90","","90","","90","","334.877","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","Li1.00 Y2 Ti2 O5 S2","","- Li O5 S2 Ti2 Y2 -","- Li1.002 O5 S2 Ti2 Y2 -","- Li2.004 O10 S4 Ti4 Y4 -","2","0.125","","Hyett, G.; Clarke, S.J.; Rutt, O.J.; Gal, Z.A.; Denis, S.G.; Hayward, M.A.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0 < x <2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124534","3.91831","","3.91831","","22.0652","","90","","90","","90","","338.77","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li1.56 Y2 Ti2 O5 S2","","- Li1.56 O5 S2 Ti2 Y2 -","- Li1.56 O5 S2 Ti2 Y2 -","- Li3.12 O10 S4 Ti4 Y4 -","2","0.0625","","Hyett, G.; Denis, S.G.; Gal, Z.A.; Rutt, O.J.; Hayward, M.A.; Clarke, S.J.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0 < x <2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","158501","2020-10-21","18:00:00",""
"4124535","3.9426","","3.9426","","21.9578","","90","","90","","90","","341.314","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li1.96 Y2 Ti2 O5 S2","","- Li1.96 O5 S2 Ti2 Y2 -","- Li1.96 O5 S2 Ti2 Y2 -","- Li3.92 O10 S4 Ti4 Y4 -","2","0.0625","","Hyett, G.; Gal, Z.A.; Rutt, O.J.; Hayward, M.A.; Denis, S.G.; Clarke, S.J.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0 < x <2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","158503","2020-10-21","18:00:00",""
"4124536","3.8359","","3.8359","","22.4566","","90","","90","","90","","330.429","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li0.46 Y2 Ti2 O5 S2","","- Li0.46 O5 S2 Ti2 Y2 -","- Li0.46 O5 S2 Ti2 Y2 -","- Li0.92 O10 S4 Ti4 Y4 -","2","0.0625","","Hyett, G.; Rutt, O.J.; Gal, Z.A.; Hayward, M.A.; Denis, S.G.; Clarke, S.J.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0 < x <2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","158505","2020-10-21","18:00:00",""
"4124537","3.8189","","3.8542","","22.468","","90","","90","","90","","330.702","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","Li1.04 Y2 Ti2 O5 S2","","- Li1.04 O5 S2 Ti2 Y2 -","- Li1.04 O5 S2 Ti2 Y2 -","- Li2.08 O10 S4 Ti4 Y4 -","2","0.125","","Hyett, G.; Rutt, O.J.; Gal, Z.A.; Denis, S.G.; Hayward, M.A.; Clarke, S.J.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0 < x <2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","158507","2020-10-21","18:00:00",""
"4124538","5.43835","","7.66195","","5.38201","","90","","90","","90","","224.26","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na (Sb O3)","","- Na O3 Sb -","- Na O3 Sb -","- Na4 O12 Sb4 -","4","0.5","","Mizoguchi, H.; Woodward, P.M.; Byeon Song-Ho; Parise, J.B.","Polymorphism in Na Sb O3: structure and bonding in metal oxides","Journal of the American Chemical Society","2004","126","","3175","3184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124540","5.4353","","7.6942","","5.4366","","90","","90","","90","","227.36","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","La0.606 Li0.183 (Ti O3)","","- La0.606 Li0.183 O3 Ti -","- La0.606 O3 Ti -","- La2.424 O12 Ti4 -","4","0.5","","Garcia-Martin, S.; Alario-Franco, M.A.; Ehrenberg, H.; Rodriguez-Carvajal, J.; Amador, U.","Crystal structure and microstructure of some La2/3-x Li3x Ti O3 oxides: an example of the complementary use of electron diffraction and microscopy and synchrotron X-ray diffraction to study complex materials","Journal of the American Chemical Society","2004","126","","3587","3596","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124541","5.4276","","7.6947","","5.4126","","90","","90","","90","","226.05","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","La0.58 Li0.27 (Ti O3)","","- La0.58 O3 Ti -","- La0.58 O3 Ti -","- La2.32 O12 Ti4 -","4","0.5","","Garcia-Martin, S.; Alario-Franco, M.A.; Rodriguez-Carvajal, J.; Ehrenberg, H.; Amador, U.","Crystal structure and microstructure of some La2/3-x Li3x Ti O3 oxides: an example of the complementary use of electron diffraction and microscopy and synchrotron X-ray diffraction to study complex materials","Journal of the American Chemical Society","2004","126","","3587","3596","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124542","5.4311","","5.4279","","7.7216","","90","","90","","90.157","","227.628","","","","","","","","","","","","","4","P 1 1 2/m","-P 2","10","","La0.62 Li0.18 (Ti O3)","","- La0.62 Li0.18 O3 Ti -","- La0.62 Li0.18 O3 Ti -","- La2.48 Li0.72 O12 Ti4 -","4","1","","Garcia-Martin, S.; Alario-Franco, M.A.; Amador, U.; Ehrenberg, H.; Rodriguez-Carvajal, J.","Crystal structure and microstructure of some La2/3-x Li3x Ti O3 oxides: an example of the complementary use of electron diffraction and microscopy and synchrotron X-ray diffraction to study complex materials","Journal of the American Chemical Society","2004","126","","3587","3596","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124613","3.9313","","11.5629","","3.4926","","90","","90","","90","","158.764","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Sr (Cu2 O3)","","- Cu2 O3 Sr -","- Cu2 O3 Sr -","- Cu4 O6 Sr2 -","2","0.125","","Azuma, M.; Yoshida, H.; Saito, T.; Yamada, T.; Takano, M.","Pressure-induced buckling of spin ladder in Sr Cu2 O3","Journal of the American Chemical Society","2004","126","","8244","8246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124614","3.8833","","10.6202","","3.2791","","90","","90","","90","","135.235","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Sr (Cu2 O3)","","- Cu2 O3 Sr -","- Cu2 O3 Sr -","- Cu4 O6 Sr2 -","2","0.25","","Azuma, M.; Yoshida, H.; Saito, T.; Yamada, T.; Takano, M.","Pressure-induced buckling of spin ladder in Sr Cu2 O3","Journal of the American Chemical Society","2004","126","","8244","8246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9014841","17.1925","","17.1925","","17.1925","","90","","90","","90","","5081.79","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Propane-ethanol-methane-hydrate","- C2.878 H11.38 O5 -","- C2.8775 H11.38 O5 -","- C92.08 H364.16 O160 -","32","0.166667","","Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R.","Gas hydrate single-crystal structure analyses Sample: (C3H8)8(CH4)14.9(H2O)136, T = 163 K","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014909","17.175","","17.175","","17.175","","90","","90","","90","","5066.29","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Propane-hydrate","- C1.72 H18 O10 -","- C1.72 H23 O10 -","- C27.52 H368 O160 -","16","0.0833333","","Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R.","Gas hydrate single-crystal structure analyses Sample: (C3H8)8(H2O)136, T = 123 K","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""