# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T02:12:06+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 = 119 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
"1100430","6.993","0.001","16.539","0.001","9.554","0.001","90","","104.6","0.01","90","","1069.31","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 D O2 V -","- C13 H11 D O2 V -","- C52 H44 D4 O8 V4 -","4","1","","Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K.","Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH)","Journal of the American Chemical Society","1997","119","32","7452","7457","10.1021/ja964445s","","","","","","","","","","","","","","","","","","","","","has coordinates","177993","2020-10-21","18:00:00",""
"1100431","6.98","0.001","16.541","0.001","9.544","0.001","90","","104.6","0.01","90","","1066.33","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 O2 V -","- C13 H12 O2 V -","- C52 H48 O8 V4 -","4","1","","Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K.","Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH)","Journal of the American Chemical Society","1997","119","32","7452","7457","10.1021/ja964445s","","","","","","","","","","","","","","","","","","","","","has coordinates","177993","2020-10-21","18:00:00",""
"1100432","13.534","0.001","23.276","0.001","13.582","0.001","90","","104.34","0.01","90","","4145.26","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O3 V2 -","- C26 H22 O3 V2 -","- C208 H176 O24 V16 -","8","2","","Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K.","Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH)","Journal of the American Chemical Society","1997","119","32","7452","7457","10.1021/ja964445s","","","","","","","","","","","","","","","","","","","","","has coordinates","177993","2020-10-21","18:00:00",""
"4116926","10.638","0.002","17.011","0.003","22.978","0.004","90","","97.92","0.014","90","","4118.5","1.3","247","2","247","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 B2 F8 Fe O2 P2 Pd -","- C38 H60 B2 F8 Fe O2 P2 Pd -","- C152 H240 B8 F32 Fe4 O8 P8 Pd4 -","4","1","","Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold","Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects","Journal of the American Chemical Society","1997","119","","550","559","10.1021/ja963008a","","","0.71073","MoKα","","0.09","0.0465","","0.1001","0.0899","","","","0.848","1.01","1.01","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116927","12.252","0.002","20.884","0.004","17.14","0.003","90","","110.03","0.01","90","","4120.4","1.3","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 B F4 Fe O0.5 P2 Rh S2 -","- C40 H40 B F4 Fe O0.5 P2 Rh S2 -","- C160 H160 B4 F16 Fe4 O2 P8 Rh4 S8 -","4","1","","Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold","Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects","Journal of the American Chemical Society","1997","119","","550","559","10.1021/ja963008a","","","0.71073","MoKα","","0.1133","0.0635","","0.2006","0.1532","","","","1.04","1.112","1.112","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116928","14.653","0.002","20.987","0.002","15.441","0.002","90","","103.41","0.01","90","","4619","1","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C41.8 H38 B2 Cl1.2 F8 Fe O2 P2 Pd -","- C41.8 H37.2 B2 Cl1.2 F8 Fe O2 P2 Pd -","- C167.2 H148.8 B8 Cl4.8 F32 Fe4 O8 P8 Pd4 -","4","1","","Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold","Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects","Journal of the American Chemical Society","1997","119","","550","559","10.1021/ja963008a","","","0.71073","MoKα","","0.1401","0.0723","","0.2022","0.1642","","","","1.098","1.506","1.506","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116929","9.838","0.002","17.799","0.006","21.939","0.004","90","","90","","90","","3841.7","1.7","426.4","","426.4","","","","","","","","synthesized","8","P 21 21 21","P 2ac 2ab","19","","","","- C H44 B3 F4 Fe O3 P2 Rh4 -","- C42 H44 B F4 Fe O3 P2 Rh -","- C168 H176 B4 F16 Fe4 O12 P8 Rh4 -","4","1","","Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold","Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects","Journal of the American Chemical Society","1997","119","","550","559","10.1021/ja963008a","","","0.7107","MoKalpha","","","0.0476","","","0.0444","","","","","1.27","1.27","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116930","6.7855","0.0005","10.5456","0.0004","23.4215","0.0013","90","","90","","90","","1675.98","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl2 N O2 S -","- C17 H17 Cl2 N O2 S -","- C68 H68 Cl8 N4 O8 S4 -","4","1","","Daniël S. van Es; Arne Egberts; Stephen Nkrumah; Hans de Nijs; Willem H. de Wolf; Friedrich Bickelhaupt; Nora Veldman; Anthony L. Spek","8,11-Dichloro-N-tosyl-3-aza[5]metacyclophane: A Highly Strained Aromatic System","Journal of the American Chemical Society","1997","119","","615","616","10.1021/ja9634987","","","0.71073","MoKa","","0.0722","0.0478","","0.0944","0.087","","","","1.028","1.083","1.083","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116931","9.1203","0.0006","9.1203","0.0006","13.0859","0.0009","90","","90","","90","","1088.48","0.13","293","2","293","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C13 H32 Cl2 Cu N4 O8 -","- C13 H30 Cl2 Cu N4 O8 -","- C26 H60 Cl4 Cu2 N8 O16 -","2","0.25","","Paul V. Bernhardt","On the Structure, Electrochemistry, and Spectroscopy of the (N,N'-Bis(2'-(dimethylamino)ethyl)-N,N'-dimethylpropane-1,3- diamine)copper(II) Ion","Journal of the American Chemical Society","1997","119","","771","774","10.1021/ja961764a","","","0.71073","MoKα","","0.1121","0.0632","","0.2162","0.1735","","","","1.072","1.134","1.134","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116932","14.766","0.001","16.287","0.002","25.284","0.002","85.7","0.01","86.19","0.01","69.34","0.01","5668.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H86 N8 O42 Rh28 -","- C76 H86 N8 O42 Rh28 -","- C152 H172 N16 O84 Rh56 -","2","1","","Alessandro Fumagalli; Secondo Martinengo; Giovanni Bernasconi; Gianfranco Ciani; Davide M. Proserpio; Angelo Sironi","[Rh28N4(CO)41Hx]4-, a Massive Carbonyl Cluster with Four Interstitial Nitrogen Atoms","Journal of the American Chemical Society","1997","119","","1450","1451","10.1021/ja961403v","","","0.71073","MoKα","","","0.0286","","","0.0685","","","","","1.091","1.091","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116933","6.095","0.001","7.659","0.002","10.042","0.002","101.89","0.03","93.06","0.03","94.15","0.03","456.39","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","","(2R,3R)-O-((E)-2-((1R,2R)-2-Hydroxy-2-methylcyclopentyl)vinyl)- N,N,N',N'-tetramethylsuccinamide","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","1","1","","Gary A. Molander; J. Christopher McWilliams; Bruce C. Noll","Remote Stereochemical Control of Both Reacting Centers in Ketyl-Olefin Radical Cyclizations: Involvement of a Samarium Tridentate Ligate","Journal of the American Chemical Society","1997","119","","1265","1276","10.1021/ja963195c","","","0.71069","MoKα","","0.0549","0.039","","0.0818","0.0759","","","","1.02","1.082","1.082","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116934","12.868","0.003","19.902","0.002","27.063","0.002","90","","102.22","0.01","90","","6773.8","1.8","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H82 Ga K2 N9 O16 Ti -","- C61 H82 Ga K2 N9 O16 Ti -","- C244 H328 Ga4 K8 N36 O64 Ti4 -","4","1","","Markus Albrecht; Roland Fröhlich","Controlling the Orientation of Sequential Ligands in the Self-Assembly of Binuclear Coordination Compounds","Journal of the American Chemical Society","1997","119","","1656","1661","10.1021/ja963265f","","","0.71073","MoKα","","0.1437","0.0714","","0.2289","0.187","","","","1.036","1.124","1.124","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116935","28.45","0.07","28.45","0.07","65.84","0.2","90","","90","","90","","53291","2","98","2","98","2","","","","","","","Eli Lilly, USA (Vancocin HCl)","5","P 43 21 2","P 4nw 2abw","96","Vancomycin hydrochloride","","","- C67 H79 Cl4 N9 O47.7 -","- C67 H79 Cl4 N9 O47.705 -","- C1072 H1264 Cl64 N144 O763.28 -","16","2","","Patrick J. Loll; Anthony E. Bevivino; Brian D. Korty; Paul H. Axelsen","Simultaneous Recognition of a Carboxylate-Containing Ligand and an Intramolecular Surrogate Ligand in the Crystal Structure of an Asymmetric Vancomycin Dimer","Journal of the American Chemical Society","1997","119","","1516","1522","10.1021/ja963566p","","","0.85","synchrotronX-ray","","0.1241","0.1124","","0.3164","0.2935","","","","1.056","1.057","1.057","","","","","has coordinates,has disorder,has Fobs","176467","2020-10-21","18:00:00",""
"4116936","11.5162","0.0011","15.261","0.002","14.815","0.002","90","","103.183","0.01","90","","2535.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Me5CpMo)2Cl2(B4H10)","","- C20 H40 B4 Cl2 Mo2 -","- C20 H40 B4 Cl2 Mo2 -","- C80 H160 B16 Cl8 Mo8 -","4","1","","Simon Aldridge; Thomas P. Fehlner; Maoyu Shang","Directed Synthesis of Chromium and Molybdenum Metallaborane Clusters. Preparation and Characterization of (Cp*Cr)2B5H9, (Cp*Mo)2B5H9, and (Cp*MoCl)2B4H10","Journal of the American Chemical Society","1997","119","","2339","2340","10.1021/ja963864m","","","0.71073","MoKα","","0.083","0.0708","","0.229","0.2148","","","","1.216","1.289","1.289","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116937","10.154","0.0002","16.43","0.0003","19.8388","0.0005","89.435","0.001","84.123","0.001","82.19","","3261.75","0.12","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H99 Mg Mo2 N12 O2.5 Si6 -","- C40 H98 Mg Mo2 N12 O2.5 Si6 -","- C80 H196 Mg2 Mo4 N24 O5 Si12 -","2","1","","Myra B. O'Donoghue; Nadia C. Zanetti; William M. Davis; Richard R. Schrock","""Fixation"" of Dinitrogen by Molybdenum and the Formation of a Trigonal Planar Iron-Tris[molybdenum(dinitrogen)] Complex","Journal of the American Chemical Society","1997","119","","2753","2754","10.1021/ja963822y","","","0.71073","MoKα","","0.1018","0.0907","","0.2435","0.2274","","","","1.165","1.195","1.195","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116938","10.4926","0.0002","14.33","0.0001","26.8775","0.0006","97.285","0.001","93.267","0.001","90.163","0.002","4001.93","0.12","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.25 H120 Fe Mo3 N18 Si9 -","- C46.25 H116 Fe Mo3 N18 Si9 -","- C92.5 H232 Fe2 Mo6 N36 Si18 -","2","1","","Myra B. O'Donoghue; Nadia C. Zanetti; William M. Davis; Richard R. Schrock","""Fixation"" of Dinitrogen by Molybdenum and the Formation of a Trigonal Planar Iron-Tris[molybdenum(dinitrogen)] Complex","Journal of the American Chemical Society","1997","119","","2753","2754","10.1021/ja963822y","","","0.71073","MoKα","","0.1896","0.1345","","0.3082","0.2611","","","","1.28","1.382","1.382","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116939","17.0164","0.0002","16.9922","0.0003","34.251","","90","","90","","90","","9903.5","0.2","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H39 Mo N6 Si3 -","- C15 H39 Mo N6 Si3 -","- C240 H624 Mo16 N96 Si48 -","16","2","","Myra B. O'Donoghue; Nadia C. Zanetti; William M. Davis; Richard R. Schrock","""Fixation"" of Dinitrogen by Molybdenum and the Formation of a Trigonal Planar Iron-Tris[molybdenum(dinitrogen)] Complex","Journal of the American Chemical Society","1997","119","","2753","2754","10.1021/ja963822y","","","0.71073","MoKα","","0.0554","0.0459","","0.106","0.0969","","","","1.245","1.269","1.269","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116940","26.625","0.005","6.1358","0.001","22.047","0.003","90","","96.011","0.013","90","","3581.9","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 O Si2 -","- C17 H24 O Si2 -","- C136 H192 O8 Si16 -","8","1","","Wenwei Huang; Decai Fang; Karen Temple; Thomas T. Tidwell","Stabilized and Persistent Allenylketenes","Journal of the American Chemical Society","1997","119","","2832","2838","10.1021/ja963496m","","","0.71073","MoKα","","0.0508","0.037","","0.0983","0.0937","","","","0.925","1.015","1.015","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116941","20.418","0.002","19.2789","0.0014","37.606","0.002","90","","90","","90","","14803","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H96 B Fe2 N7 O5 -","- C84 H96 B Fe2 N7 O5 -","- C672 H768 B8 Fe16 N56 O40 -","8","1","","Jonathan D. Cohen; Sonha C. Payne; Karl S. Hagen; Joann Sanders-Loehr","Raman Evidence for a Trapped-Valence FeII-O-FeIII Complex Formed from an Outer-Sphere Reaction of Diiron(II) with Dioxygen","Journal of the American Chemical Society","1997","119","","2960","2961","10.1021/ja9638871","","","1.54178","CuKα","","0.1226","0.0816","","0.3213","0.2153","","","","1.021","1.012","1.012","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116942","20.5573","0.0009","19.3176","0.0008","37.7437","0.0014","90","","90","","90","","14988.7","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H95 B Fe2 N7 O5 -","- C84 H95 B Fe2 N7 O5 -","- C672 H760 B8 Fe16 N56 O40 -","8","1","","Jonathan D. Cohen; Sonha C. Payne; Karl S. Hagen; Joann Sanders-Loehr","Raman Evidence for a Trapped-Valence FeII-O-FeIII Complex Formed from an Outer-Sphere Reaction of Diiron(II) with Dioxygen","Journal of the American Chemical Society","1997","119","","2960","2961","10.1021/ja9638871","","","1.54178","CuKα","","0.1304","0.0716","","0.2175","0.1729","","","","1.022","1.113","1.113","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116943","12.937","0.002","14.977","0.003","25.627","0.005","93.84","0.01","91.12","0.01","96.26","0.01","4922.9","1.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H119 B2 Fe2 N8 O7 -","- C112 H119 B2 Fe2 N8 O7 -","- C224 H238 B4 Fe4 N16 O14 -","2","1","","Jonathan D. Cohen; Sonha C. Payne; Karl S. Hagen; Joann Sanders-Loehr","Raman Evidence for a Trapped-Valence FeII-O-FeIII Complex Formed from an Outer-Sphere Reaction of Diiron(II) with Dioxygen","Journal of the American Chemical Society","1997","119","","2960","2961","10.1021/ja9638871","","","1.54178","CuKα","","0.0954","0.0657","","0.2025","0.1753","","","","1.015","1.074","1.074","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116944","16.223","0.004","12.601","0.003","24.378","0.008","90","","90.16","0.03","90","","4983","2","294.2","","294.2","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C36 H16 -","- C36 H16 -","- C288 H128 -","8","1","","Michael M. Haley; Michael L. Bell; Jamieson J. English; Charles A. Johnson; Timothy J. R. Weakley","Versatile Synthetic Route to and DSC Analysis of Dehydrobenzoannulenes: Crystal Structure of a Heretofore Inaccessible [20]Annulene Derivative","Journal of the American Chemical Society","1997","119","","2956","2957","10.1021/ja964048h","","","0.7107","MoKalpha","","","0.0605","","","0.0411","","","","","1.625","1.625","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116945","16.034","0.001","16.034","","50.64","0.01","90","","90","","120","","11275","2","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cd58.34 Na49 Sn37.69 -","- Cd58.344 Na49 Sn37.692 -","- Cd175.032 Na147 Sn113.076 -","3","0.0833333","","Evgeny Todorov; Slavi C. Sevov","Synthesis, Characterization, Electronic Structure, and Bonding of Heteroatomic Deltahedral Clusters: Na49Cd58.5Sn37.5, A Network Structure Containing the First Empty Icosahedron without a Group 13 Element and the Largest closo-Deltahedron","Journal of the American Chemical Society","1997","119","","2869","2876","10.1021/ja964077s","","","0.71073","MoKα","","0.0423","0.0329","","0.0721","0.0682","","","","1.224","1.252","1.252","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116946","13.751","0.002","16.241","0.002","11.2","0.001","90","","113.81","0.01","90","","2288.4","0.5","149","2","149","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 F6 Sb -","- C9 H11 F6 Sb -","- C72 H88 F48 Sb8 -","8","1","","Thomas Laube; George A. Olah; Robert Bau","First X-ray Crystallographic Study of a Benzyl Cation, Cumyl Hexafluoroantimonate(V), and Structural Implications","Journal of the American Chemical Society","1997","119","","3087","3092","10.1021/ja9631514","","","0.71073","MoKα","","0.0977","0.0502","","0.1164","0.1054","","","","0.799","1","1","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116947","21.033","0.004","19.714","0.002","25.336","0.005","90","","90.01","0.02","90","","10505","3","293","2","293","2","","","","","","","synthetic route","5","I 1 2/a 1","-I 2ya","15","","dihydride [η2-1,2-bis(dimethylsilyl)benzene] bis(tricyclohexyl)phosphine ruthenium(II). benzene","","- C52 H92 P2 Ru Si2 -","- C52 H92 P2 Ru Si2 -","- C416 H736 P16 Ru8 Si16 -","8","1","","Fabien Delpech; Sylviane Sabo-Etienne; Bruno Chaudret; Jean-Claude Daran","Synthesis and Characterization of Chelating Bis(silane) Complexes [RuH2{(η2-HSiMe2)2X}(PCy3)2] (X = C6H4, O) Containing Two Ru-(η2-Si-H) Bonds","Journal of the American Chemical Society","1997","119","","3167","3168","10.1021/ja963933x","","","0.71073","MoKα","","","0.0446","","","0.0403","","","","","1.0706","1.0706","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116948","15.668","0.006","15.914","0.003","15.614","0.002","91.73","0.01","120.19","0.02","116.85","0.02","2830.3","1.7","288.2","","298","","","","","","","","","5","P 1","P 1","1","","","","- C33 H72 N18 O21 Zn3 -","- C33 H66 N18 O21 Zn3 -","- C66 H132 N36 O42 Zn6 -","2","2","","Eiichi Kimura; Shin Aoki; Tohru Koike; Motoo Shiro","A Tris(ZnII-1,4,7,10-tetraazacyclododecane) Complex as a New Receptor for Phosphate Dianions in Aqueous Solution","Journal of the American Chemical Society","1997","119","","3068","3076","10.1021/ja9640408","","","0.7107","MoKα","","","0.0514","","","0.0705","","","","","1.14","1.14","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116949","18.481","0.008","13.901","0.003","22.556","0.006","90","","111.8","0.03","90","","5380","3","288.2","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C30 H68 Cl4 N13 O24 P Zn3 -","- C30 H64 Cl4 N13 O24 P Zn3 -","- C120 H256 Cl16 N52 O96 P4 Zn12 -","4","1","","Eiichi Kimura; Shin Aoki; Tohru Koike; Motoo Shiro","A Tris(ZnII-1,4,7,10-tetraazacyclododecane) Complex as a New Receptor for Phosphate Dianions in Aqueous Solution","Journal of the American Chemical Society","1997","119","","3068","3076","10.1021/ja9640408","","","0.7107","MoKα","","","0.0609","","","0.0955","","","","","1.612","1.612","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116950","11.381","0.002","13.116","0.003","25.846","0.005","90","","90","","90","","3858.1","1.3","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 Cl4 N2 Ni P2 S2 -","- C38 H34 Cl4 N2 Ni P2 S2 -","- C152 H136 Cl16 N8 Ni4 P8 S8 -","4","1","","Sharada P. Kaiwar; Anthony Vodacek; Neil V. Blough; Robert S. Pilato","Excited State Properties of Quinoxaline-Substituted Platinum 1,2-Enedithiolates","Journal of the American Chemical Society","1997","119","","3311","3316","10.1021/ja9626998","","","0.71073","MoKα","","0.1604","0.0983","","0.1857","0.1609","","","","1.105","1.232","1.232","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116951","28.596","0.005","9.0299","0.0014","26.184","0.003","90","","90","","90","","6761.2","1.8","153","2","153","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C36 H30 B F4 N2 P2 Pd S2 -","- C36 H30 B F4 N2 P2 Pd S2 -","- C288 H240 B8 F32 N16 P16 Pd8 S16 -","8","2","","Sharada P. Kaiwar; Anthony Vodacek; Neil V. Blough; Robert S. Pilato","Excited State Properties of Quinoxaline-Substituted Platinum 1,2-Enedithiolates","Journal of the American Chemical Society","1997","119","","3311","3316","10.1021/ja9626998","","","0.71073","MoKα","","0.1121","0.0755","","0.1861","0.1646","","","","1.078","1.118","1.118","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116952","16.864","0.006","18.652","0.007","16.034","0.006","104.587","0.01","117.934","0.008","101.758","0.01","3995","3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","EM, 4-MeC6H4OME","","","- C180 H210 O29 -","- C180 H192 O29 -","- C180 H192 O29 -","1","0.5","","Roger C. Helgeson; Carolyn B. Knobler; Donald J. Cram","Correlations of Structure with Binding Ability Involving Nine Hemicarcerand Hosts and Twenty-Four Guests1","Journal of the American Chemical Society","1997","119","","3229","3244","10.1021/ja963379r","","","1.5418","CuKα","","0.2416","0.1598","","0.5353","0.4402","","","","1.04","1.164","1.164","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116953","16.827","0.005","18.611","0.006","16.242","0.005","104.081","0.009","117.785","0.01","102.197","0.01","4040","2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","EE, 4-MeC6H4OMe","","","- C184 H218 O29 -","- C184 H188 O28 -","- C184 H188 O28 -","1","0.5","","Roger C. Helgeson; Carolyn B. Knobler; Donald J. Cram","Correlations of Structure with Binding Ability Involving Nine Hemicarcerand Hosts and Twenty-Four Guests1","Journal of the American Chemical Society","1997","119","","3229","3244","10.1021/ja963379r","","","1.54184","CuKα","","0.1972","0.129","","0.4298","0.352","","","","1.03","1.143","1.143","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116954","15.48","0.01","17.349","0.006","14.551","0.007","113.69","0.03","93.69","0.05","95.32","0.05","3541","3","175","2","175","2","","","","","","","","3","P -1","-P 1","2","PE, 4-MeC6H4OMe","","","- C164 H196 O26 -","- C165 H172 O25 -","- C165 H172 O25 -","1","0.5","","Roger C. Helgeson; Carolyn B. Knobler; Donald J. Cram","Correlations of Structure with Binding Ability Involving Nine Hemicarcerand Hosts and Twenty-Four Guests1","Journal of the American Chemical Society","1997","119","","3229","3244","10.1021/ja963379r","","","1.5418","CuKα","","0.2454","0.1763","","0.5102","0.436","","","","1.049","1.16","1.16","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116955","17.288","0.018","18.419","0.017","16.74","0.014","91.25","0.08","117.04","0.06","69.95","0.07","4402","8","175","2","175","2","","","","","","","","3","P -1","-P 1","2","PE, 2-(MeO)C6H4OMe","","","- C204 H246 O38 -","- C204 H210 O38 -","- C204 H210 O38 -","1","0.5","","Roger C. Helgeson; Carolyn B. Knobler; Donald J. Cram","Correlations of Structure with Binding Ability Involving Nine Hemicarcerand Hosts and Twenty-Four Guests1","Journal of the American Chemical Society","1997","119","","3229","3244","10.1021/ja963379r","","","1.5418","CuKα","","0.1884","0.1582","","0.4386","0.3969","","","","1.047","1.086","1.086","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116956","9.3619","0.0006","5.9057","0.0004","18.581","0.001","90","","95.566","0.002","90","","1022.47","0.11","156","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2-Dimethyl-4-(2-oxo-1H-6-pyridyl)-3-butynoic acid","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","","Paul L. Wash; Emily Maverick; John Chiefari; David A. Lightner","Acid-Amide Intermolecular Hydrogen Bonding","Journal of the American Chemical Society","1997","119","","3802","3806","10.1021/ja963416e","","","0.7107","MoKα","","0.0944","0.0429","","0.1281","0.0999","","","","1.041","1.053","1.053","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116957","15.899","0.003","12.702","0.002","20.169","0.004","90","","110.39","0.02","90","","3817.9","1.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H59 B Fe P4 -","- C36 H59 B Fe P4 -","- C144 H236 B4 Fe4 P16 -","4","1","","Dmitry G. Gusev; Rainer Hübener; Peter Burger; Olli Orama; Heinz Berke","Synthesis, Structural Diversity, Dynamics, and Acidity of the M(II) and M(IV) Complexes [MH3(PR3)4]+ (M = Fe, Ru, Os; R = Me, Et)","Journal of the American Chemical Society","1997","119","","3716","3731","10.1021/ja963692t","","","0.71073","MoKα","","6.15","4.87","","16.32","5.48","","","","","1.97","1.97","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116958","12.136","0.002","14.205","0.003","37.117","0.006","90","","98.93","0.01","90","","6321","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H75 B F24 Fe P4 -","- C56 H75 B F24 Fe P4 -","- C224 H300 B4 F96 Fe4 P16 -","4","1","","Dmitry G. Gusev; Rainer Hübener; Peter Burger; Olli Orama; Heinz Berke","Synthesis, Structural Diversity, Dynamics, and Acidity of the M(II) and M(IV) Complexes [MH3(PR3)4]+ (M = Fe, Ru, Os; R = Me, Et)","Journal of the American Chemical Society","1997","119","","3716","3731","10.1021/ja963692t","","","0.71073","MoKα","","0.165","0.0729","","0.1772","0.1275","","","","1.022","1.112","1.112","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116959","15.901","0.002","12.815","0.003","20.3","0.003","90","","110.62","0.01","90","","3871.6","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H59 B Os P4 -","- C36 H59 B Os P4 -","- C144 H236 B4 Os4 P16 -","4","1","","Dmitry G. Gusev; Rainer Hübener; Peter Burger; Olli Orama; Heinz Berke","Synthesis, Structural Diversity, Dynamics, and Acidity of the M(II) and M(IV) Complexes [MH3(PR3)4]+ (M = Fe, Ru, Os; R = Me, Et)","Journal of the American Chemical Society","1997","119","","3716","3731","10.1021/ja963692t","","","0.71073","MoKα","","0.068","0.0488","","0.1336","0.1179","","","","1.038","1.07","1.07","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116960","14.376","0.004","9.16","0.004","16.456","0.007","90","","102.04","0.03","90","","2119.3","1.4","158","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O Ti -","- C22 H32 N2 O Ti -","- C88 H128 N8 O4 Ti4 -","4","1","","Robert Baumann; William M. Davis; Richard R. Schrock","Synthesis of Titanium and Zirconium Complexes That Contain the Tridentate Diamido Ligand, [((t-Bu-d6)N-o-C6H4)2O]2- ([NON]2-) and the Living Polymerization of 1-Hexene by Activated [NON]ZrMe2","Journal of the American Chemical Society","1997","119","","3830","3831","10.1021/ja963823q","","","0.71073","MoKα","","0.0886","0.0682","","0.1688","0.1482","","","","1.182","1.158","1.158","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116961","11.747","0.005","12.321","0.005","16.829","0.008","100.21","0.03","98.22","0.03","108.06","0.03","2227.5","1.8","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 B F15 N2 O Zr -","- C40 H32 B F15 N2 O Zr -","- C80 H64 B2 F30 N4 O2 Zr2 -","2","1","","Robert Baumann; William M. Davis; Richard R. Schrock","Synthesis of Titanium and Zirconium Complexes That Contain the Tridentate Diamido Ligand, [((t-Bu-d6)N-o-C6H4)2O]2- ([NON]2-) and the Living Polymerization of 1-Hexene by Activated [NON]ZrMe2","Journal of the American Chemical Society","1997","119","","3830","3831","10.1021/ja963823q","","","0.71073","MoKα","","0.1077","0.089","","0.2136","0.1857","","","","1.068","1.117","1.117","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116962","11.868","0.002","12.29","0.002","12.866","0.002","90","","103","0.2","90","","1828.5","1.6","293","2","293","2","","","","","","","Crystallization from ethyl acetate by slow evaporation","4","P 1 21/n 1","-P 2yn","14","5(4H)-oxazolone from Z-TOAC-OH","","","- C18 H23 N2 O4 -","- C18 H23 N2 O4 -","- C72 H92 N8 O16 -","4","1","","Marco Crisma; Giovanni Valle; Fernando Formaggio; Claudio Toniolo; Alessandro Bagno","Reactive Intermediates in Peptide Synthesis: First Crystal Structures and ab Initio Calculations of 2-Alkoxy-5(4H)-oxazolones from Urethane-Protected Amino Acids","Journal of the American Chemical Society","1997","119","","4136","4142","10.1021/ja9637863","","","0.7107","MoKα","","","0.056","","","0.062","","","","","0.689","0.689","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116963","8.266","0.001","18.629","0.002","14.216","0.002","90","","98.6","0.1","90","","2164.5","0.7","293","2","293","2","","","","","","","Crystallization from chloroform - petroleum ether","4","P 1 21/n 1","-P 2yn","14","5(4H)-oxazolone from Fmoc-TOAC-OH","","","- C25 H27 N2 O4 -","- C25 H27 N2 O4 -","- C100 H108 N8 O16 -","4","1","","Marco Crisma; Giovanni Valle; Fernando Formaggio; Claudio Toniolo; Alessandro Bagno","Reactive Intermediates in Peptide Synthesis: First Crystal Structures and ab Initio Calculations of 2-Alkoxy-5(4H)-oxazolones from Urethane-Protected Amino Acids","Journal of the American Chemical Society","1997","119","","4136","4142","10.1021/ja9637863","","","0.7107","MoKα","","","0.054","","","0.056","","","","","1.018","1.018","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116964","8.7905","0.0001","9.0849","0.0003","35.158","0.0009","90","","96.5","0.001","90","","2789.7","0.12","173","2","173","2","","","","","","","J. Kim / Prof. L. Que","6","P 1 21/c 1","-P 2ybc","14","95089","","","- C24 H27 Cl2 Fe N4 O10 -","- C24 H27 Cl2 Fe N4 O10 -","- C96 H108 Cl8 Fe4 N16 O40 -","4","1","","Yan Zang; Jinheung Kim; Yanhong Dong; Elizabeth C. Wilkinson; Evan H. Appelman; Lawrence Que","Models for Nonheme Iron Intermediates: Structural Basis for Tuning the Spin States of Fe(TPA) Complexes","Journal of the American Chemical Society","1997","119","","4197","4205","10.1021/ja9638521","","","0.71073","MoKα","","0.1254","0.0939","","0.2137","0.1957","","","","1.177","1.275","1.275","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116965","6.617","0.002","7.436","0.002","13.965","0.003","76.39","0.02","82.31","0.02","87.26","0.02","661.7","0.3","293","","293","","","","","","","","","7","P 1","P 1","1","","","","- C9 H15 Cl F12 N P2 Rh -","- C18 H30 Cl F12 N2 P2 Rh -","- C18 H30 Cl F12 N2 P2 Rh -","1","1","","Joseph P. Konopelski; Lubov K. Filonova; Marilyn M. Olmstead","Dipeptide Surrogates Containing Asparagine-Derived Tetrahydropyrimidinones: Preparation, Structure, and Use in Solid Phase Synthesis","Journal of the American Chemical Society","1997","119","","4305","4306","10.1021/ja9639271","","","0.71073","MoKα","","","0.044","","","0.0484","","","","","3.6013","3.6013","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116966","21.183","0.002","21.18","0.003","8.324","0.002","90","","90","","90","","3734.6","1.1","25","","293","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C17 H27 B F4 Rh -","- C16.8 H16 B F4 N0.9 Rh -","- C134.4 H128 B8 F32 N7.2 Rh8 -","8","1","","Joseph P. Konopelski; Lubov K. Filonova; Marilyn M. Olmstead","Dipeptide Surrogates Containing Asparagine-Derived Tetrahydropyrimidinones: Preparation, Structure, and Use in Solid Phase Synthesis","Journal of the American Chemical Society","1997","119","","4305","4306","10.1021/ja9639271","","","0.71073","MoKα","","","0.0473","","","0.0526","","","","","1.0947","1.0947","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116967","8.094","0.003","19.2","0.008","10.138","0.004","90","","107.88","0.04","90","","1499.4","1.1","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(N,N-dimethylhydroxylamino)silane","","- C8 H24 N4 O4 Si -","- C8 H24 N4 O4 Si -","- C32 H96 N16 O16 Si4 -","4","1","","Norbert W. Mitzel; Alexander J. Blake; David W. H. Rankin","β-Donor Bonds in SiON Units: An Inherent Structure- Determining Property Leading to (4 + 4)-Coordination in Tetrakis-(N,N-dimethylhydroxylamido)silane","Journal of the American Chemical Society","1997","119","","4143","4148","10.1021/ja9640004","","","0.71073","MoKα","","0.0923","0.0457","","0.2731","0.0986","","","","1.055","1.045","1.045","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116968","8.0422","0.0005","8.0422","0.0005","24.653","0.002","90","","90","","90","","1594.48","0.19","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Tetraisopropoxysilane","","- C12 H28 O4 Si -","- C12 H28 O4 Si -","- C48 H112 O16 Si4 -","4","0.25","","Norbert W. Mitzel; Alexander J. Blake; David W. H. Rankin","β-Donor Bonds in SiON Units: An Inherent Structure- Determining Property Leading to (4 + 4)-Coordination in Tetrakis-(N,N-dimethylhydroxylamido)silane","Journal of the American Chemical Society","1997","119","","4143","4148","10.1021/ja9640004","","","1.54184","CuKα","","0.0336","0.0314","","0.0827","0.0782","","","","1.102","1.121","1.121","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116969","15.58","0.01","17.534","0.004","28.455","0.007","90","","99.74","0.03","90","","7661","6","20","","20","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H64 Cr2 N4 O4 P4 Pt2 -","- C288 Cr8 N16 O16 P16 Pt8 -","- C288 Cr8 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Mitsuhiro Tanaka; Kazuhide Tani; Akira Nakamura; Sadamu Takeda; Wasuke Mori; Kizashi Yamaguchi","Elongation of the Quadruple CrII-CrII Bond Induced by Two PtMe2 Moieties in the Linearly Aligned Tetrametal System, PtMe2...Cr-Cr...PtMe2","Journal of the American Chemical Society","1997","119","","4307","4308","10.1021/ja964052t","","","0.7107","MoKalpha","","","0.064","","","0.064","","","","","2.75","2.75","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116970","18.645","0.005","17.896","0.003","19.338","0.003","90","","104.12","0.02","90","","6258","2","23","","23","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C69 H54 Cl2 Cr2 N4 O4 P4 -","- C272 Cr8 N16 O16 P16 -","- C272 Cr8 N16 O16 P16 -","","","","Kazushi Mashima; Mitsuhiro Tanaka; Kazuhide Tani; Akira Nakamura; Sadamu Takeda; Wasuke Mori; Kizashi Yamaguchi","Elongation of the Quadruple CrII-CrII Bond Induced by Two PtMe2 Moieties in the Linearly Aligned Tetrametal System, PtMe2...Cr-Cr...PtMe2","Journal of the American Chemical Society","1997","119","","4307","4308","10.1021/ja964052t","","","0.7107","MoKalpha","","","0.072","","","0.069","","","","","2.01","2.01","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116971","23.804","0.006","13.814","0.004","24.314","0.003","90","","109.34","0.01","90","","7544","3","230","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C84 H84 O16 -","- C84 H80 O16 -","- C336 H320 O64 -","4","1","","Ken Endo; Takashi Koike; Tomoya Sawaki; Osamu Hayashida; Hideki Masuda; Yasuhiro Aoyama","Catalysis by Organic Solids. Stereoselective Diels-Alder Reactions Promoted by Microporous Molecular Crystals Having an Extensive Hydrogen-Bonded Network","Journal of the American Chemical Society","1997","119","","4117","4122","10.1021/ja964198s","","","0.71073","MoKα","","","0.062","","","0.07","","","","","1.606","1.606","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116972","16.377","0.002","29.029","0.002","8.932","0.002","90","","90","","90","","4246.3","1.1","297","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H31 I O3 Si -","- C19 H31 I O3 Si -","- C152 H248 I8 O24 Si8 -","8","2","","Chin-Kang Sha; Rei-Torng Chiu; Cheng-Fen Yang; Nai-Tung Yao; Wei-Hong Tseng; Fen-Ling Liao; Sue-Lein Wang","Total Synthesis of (-)-Dendrobine via α-Carbonyl Radical Cyclization","Journal of the American Chemical Society","1997","119","","4130","4135","10.1021/ja9643432","","","0.71073","MoKα","","","0.0448","","","0.0543","","","","","0.88","0.88","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116973","10.6518","0.0015","7.5072","0.0006","11.9581","0.0014","90","","110.698","0.008","90","","894.51","0.18","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br1.78 Cl0.22 Mo2 -","- C18 H22 Br1.78 Cl0.22 Mo2 -","- C36 H44 Br3.56 Cl0.44 Mo4 -","2","0.5","","Li-Sheng Wang; James C. Fettinger; Rinaldo Poli","Cyclopentadienylmolybdenum(II) and -(III) Complexes Containing Diene and Allyl Ligands. 1. Isomeric Preferences and Isomerization Rates in a Pair of Redox-Related Organometallic Complexes","Journal of the American Chemical Society","1997","119","","4453","4464","10.1021/ja964078k","","","0.71073","MoKα","","0.0379","0.0373","","0.0994","0.0988","","","","1.216","1.224","1.224","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116974","12.4437","0.0005","7.3498","0.0004","12.0043","0.0005","90","","111.927","0.003","90","","1018.48","0.08","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Mo -","- C12 H16 Mo -","- C48 H64 Mo4 -","4","1","","Li-Sheng Wang; James C. Fettinger; Rinaldo Poli","Cyclopentadienylmolybdenum(II) and -(III) Complexes Containing Diene and Allyl Ligands. 1. Isomeric Preferences and Isomerization Rates in a Pair of Redox-Related Organometallic Complexes","Journal of the American Chemical Society","1997","119","","4453","4464","10.1021/ja964078k","","","0.71073","MoKα","","0.0211","0.0163","","0.0438","0.041","","","","1.065","1.097","1.097","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116975","7.6228","0.0005","23.336","0.002","7.7887","0.0004","90","","90","","90","","1385.5","0.17","153","2","153","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H16 F6 Mo P -","- C12 H16 F6 Mo P -","- C48 H64 F24 Mo4 P4 -","4","0.25","","Li-Sheng Wang; James C. Fettinger; Rinaldo Poli","Cyclopentadienylmolybdenum(II) and -(III) Complexes Containing Diene and Allyl Ligands. 1. Isomeric Preferences and Isomerization Rates in a Pair of Redox-Related Organometallic Complexes","Journal of the American Chemical Society","1997","119","","4453","4464","10.1021/ja964078k","","","0.71073","MoKα","","0.0379","0.0375","","0.0967","0.0964","","","","1.125","1.13","1.13","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116976","11.9689","0.0006","11.6175","0.0011","7.4177","0.0006","90","","90","","90","","1031.42","0.14","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H16 Mo -","- C12 H16 Mo -","- C48 H64 Mo4 -","4","0.5","","Li-Sheng Wang; James C. Fettinger; Rinaldo Poli","Cyclopentadienylmolybdenum(II) and -(III) Complexes Containing Diene and Allyl Ligands. 1. Isomeric Preferences and Isomerization Rates in a Pair of Redox-Related Organometallic Complexes","Journal of the American Chemical Society","1997","119","","4453","4464","10.1021/ja964078k","","","0.71073","MoKα","","0.0338","0.0308","","0.0865","0.0838","","","","1.143","1.158","1.158","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116977","11.4973","0.0015","23.932","0.003","24.811","0.003","90","","90","","90","","6826.8","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H35 F P2 Pd -","- C42 H35 F P2 Pd -","- C336 H280 F8 P16 Pd8 -","8","1","","Scott L. Fraser; Mikhail Yu. Antipin; Viktor N. Khroustalyov; Vladimir V. Grushin","Molecular Fluoro Palladium Complexes","Journal of the American Chemical Society","1997","119","","4769","4770","10.1021/ja963984u","","","0.71073","MoKα","","0.0807","0.047","","0.2067","0.1101","","","","1.054","1.069","1.069","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116978","6.8483","0.0005","14.531","0.002","22.56","0.002","106.602","0.006","93.405","0.005","101.127","0.005","2095.3","0.4","290","","290","","100","","100","","","","","4","P -1","-P 1","2","","3,7-Bis-trimethylsilanyl-1,4a,5,8a,9,9a-hexahydro-4H-cyclopenta[β] naphthalene-2,6-dione.","","- C19 H30 O2 Si2 -","- C19 H30 O2 Si2 -","- C76 H120 O8 Si8 -","4","2","","Anna Quattropani; Gary Anderson; Gérald Bernardinelli; E. Peter Kündig","Asymmetric Propargylation/Allylation/Pauson-Khand Cyclization of a Planar Chiral Anisole Tricarbonylchromium Complex","Journal of the American Chemical Society","1997","119","","4773","4774","10.1021/ja964256+","","","1.54183","x-ray","","0.09","0.076","","0.06","0.052","","","","5.912","5.404","5.404","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116979","21.137","0.004","22.327","0.005","9.149","0.002","90","","90","","90","","4317.6","1.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H35 P -","- C23 H35 P -","- C184 H280 P8 -","8","1","","György Keglevich; Zsolt Böcskei; György Miklós Keserü; Kálmán Újszászy; Louis D. Quin","1-(2,4,6-Tri-tert-butylphenyl)-3-methylphosphole: A Phosphole with a Significantly Flattened Phosphorus Pyramid Having Pronounced Characteristics of Aromaticity","Journal of the American Chemical Society","1997","119","","5095","5099","10.1021/ja970463d","","","1.54178","CuKα","","0.1961","0.0729","","0.2797","0.1854","","","","1.043","1.103","1.103","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116980","17.707","0.006","13.78","0.005","16.267","0.008","90","0","94.72","0.03","90","0","3956","3","298","","","","","","","","","","Local laboratory","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 Cl2 N6 Ni2 O14 -","- C33 H40 Cl2 N6 Ni2 O13 -","- C132 H160 Cl8 N24 Ni8 O52 -","4","1","","Kazuya Yamaguchi; Shouzou Koshino; Fumio Akagi; Masatatsu Suzuki; Akira Uehara; Shinnichiro Suzuki","Structures and Catalytic Activities of Carboxylate-Bridged Dinickel(II) Complexes as Models for the Metal Center of Urease","Journal of the American Chemical Society","1997","119","","5752","5753","10.1021/ja963982+","","","0.71073","MoK-alpha","","","0.0696","","","0.069","","","","","5.799","5.799","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116981","13.971","0.007","14.474","0.005","12.479","0.006","93.47","0.03","116.46","0.04","92.49","0.04","2248","1.9","298","","","","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C34 H48 Cl2 N8 Ni2 O14 -","- C35 H48 Cl2 N10 Ni2 O13 -","- C70 H96 Cl4 N20 Ni4 O26 -","2","1","","Kazuya Yamaguchi; Shouzou Koshino; Fumio Akagi; Masatatsu Suzuki; Akira Uehara; Shinnichiro Suzuki","Structures and Catalytic Activities of Carboxylate-Bridged Dinickel(II) Complexes as Models for the Metal Center of Urease","Journal of the American Chemical Society","1997","119","","5752","5753","10.1021/ja963982+","","","0.71073","MoK-alpha","","","0.0604","","","0.0641","","","","","4.6645","4.6645","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116982","18.184","0.002","13.234","0.001","29.102","0.004","90","","93.21","0.02","90","","6992.3","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","C7H14S4=3,7-dithianonane-1,9-dithiolat C15H23S=2,4,6-trisiopropylbenzenethiolat","","- C47 H80 Cl6 Fe4 Ni2 S14 -","- C47 H80 Cl6 Fe4 Ni2 S14 -","- C188 H320 Cl24 Fe16 Ni8 S56 -","4","1","","Frank Osterloh; Wolfgang Saak; Siegfried Pohl","Unidentate and Bidentate Binding of Nickel(II) Complexes to an Fe4S4 Cluster via Bridging Thiolates: Synthesis, Crystal Structures, and Electrochemical Properties of Model Compounds for the Active Sites of Nickel Containing CO Dehydrogenase/Acetyl-CoA Synthase","Journal of the American Chemical Society","1997","119","","5648","5656","10.1021/ja970194r","","","0.71073","MoKα","","0.1229","0.0971","","0.211","0.1914","","","","1.28","1.315","1.315","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116983","20.888","0.001","20.888","0.001","20.532","0.001","90","","90","","90","","8958.3","0.7","296","2","296","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","C11H24N2S2=N,N-diethyl-3,7-diazanonane-1,9-dithiolat","","- C26 H54 Fe4 I2 N6 Ni2 S8 -","- C26 H54 Fe4 I2 N6 Ni2 S8 -","- C208 H432 Fe32 I16 N48 Ni16 S64 -","8","0.5","","Frank Osterloh; Wolfgang Saak; Siegfried Pohl","Unidentate and Bidentate Binding of Nickel(II) Complexes to an Fe4S4 Cluster via Bridging Thiolates: Synthesis, Crystal Structures, and Electrochemical Properties of Model Compounds for the Active Sites of Nickel Containing CO Dehydrogenase/Acetyl-CoA Synthase","Journal of the American Chemical Society","1997","119","","5648","5656","10.1021/ja970194r","","","0.71073","MoKα","","0.049","0.0353","","0.0715","0.0655","","","","1.067","1.108","1.108","","","","","has coordinates","295978","2024-11-17","21:25:14",""
"4116984","14.975","0.001","19.473","0.001","28.242","0.002","90","","90","","90","","8235.6","0.9","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","C11H24N2S2=N,N-diethyl-3,7-diazanonane-1,9-dithiolat C15H23S=2,4,6-trisiopropylbenzenethiolat","","- C56 H102 Fe4 N4 Ni2 O S10 -","- C56 H102 Fe4 N4 Ni2 O S10 -","- C224 H408 Fe16 N16 Ni8 O4 S40 -","4","1","","Frank Osterloh; Wolfgang Saak; Siegfried Pohl","Unidentate and Bidentate Binding of Nickel(II) Complexes to an Fe4S4 Cluster via Bridging Thiolates: Synthesis, Crystal Structures, and Electrochemical Properties of Model Compounds for the Active Sites of Nickel Containing CO Dehydrogenase/Acetyl-CoA Synthase","Journal of the American Chemical Society","1997","119","","5648","5656","10.1021/ja970194r","","","0.71073","MoKα","","0.1006","0.0761","","0.2485","0.1921","","","","1.262","1.255","1.255","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116985","7.767","0.001","10.957","0.001","7.682","0.002","93.8","0.01","117.61","0.01","103.05","0.01","553.18","0.18","299","","299","","","","","","","","Local laboratory","3","P -1","-P 1","2","","","","- C26 H16 N6 -","- C26 H16 N6 -","- C26 H16 N6 -","1","0.5","","Yoshikatsu Ito; Sotaro Endo; Shigeru Ohba","Novel Photocoupling Reaction in Two-Component Crystals of Tetracyanobenzene with Benzyl Cyanide","Journal of the American Chemical Society","1997","119","","5974","5975","10.1021/ja964451o","","","0.71073","MoKα","","","0.0533","","","0.0515","","","","","1.03","1.03","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116986","7.721","0.002","13.393","0.003","7.219","0.002","103.19","0.02","105.65","0.02","78.45","0.02","692.2","0.3","300","","299","","","","","","","","Local laboratory","3","P -1","-P 1","2","","","","- C18 H9 N5 -","- C18 H9 N5 -","- C36 H18 N10 -","2","1","","Yoshikatsu Ito; Sotaro Endo; Shigeru Ohba","Novel Photocoupling Reaction in Two-Component Crystals of Tetracyanobenzene with Benzyl Cyanide","Journal of the American Chemical Society","1997","119","","5974","5975","10.1021/ja964451o","","","0.71073","MoKα","","","0.0527","","","0.067","","","","","0.992","0.992","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116987","7.6495","0.0014","12.384","0.006","27.867","0.012","90","","90","","90","","2639.9","1.8","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N O4 S2 V -","- C11 H14 N O4 S2 V -","- C88 H112 N8 O32 S16 V8 -","8","1","","Charles R. Cornman; Thad C. Stauffer; Paul D. Boyle","Oxidation of a Vanadium(V)-Dithiolate Complex to a Vanadium(V)-η2,η2-Disulfenate Complex","Journal of the American Chemical Society","1997","119","","5986","5987","10.1021/ja971007s","","","0.71073","MolybdenumKα","","0.046","0.046","","0.047","0.047","","","","","1.15","1.15","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116988","6.798","0.002","7.137","0.002","14.73","0.004","90.85","0.03","100.93","0.02","115.05","0.03","632","0.4","148","","148","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 N O2 S2 V -","- C11 H14 N O2 S2 V -","- C22 H28 N2 O4 S4 V2 -","2","1","","Charles R. Cornman; Thad C. Stauffer; Paul D. Boyle","Oxidation of a Vanadium(V)-Dithiolate Complex to a Vanadium(V)-η2,η2-Disulfenate Complex","Journal of the American Chemical Society","1997","119","","5986","5987","10.1021/ja971007s","","","0.71073","MolybdenumKα","","0.035","0.035","","0.044","0.044","","","","","1.24","1.24","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116989","12.003","0.004","14.081","0.004","11.754","0.002","102.47","0.02","103.02","0.02","76.76","0.03","1855.6","0.9","298","","298","","","","","","","","methylene chloride/thf","6","P -1","-P 1","2","","","","- C68 H61 Cl8 N11 Ni O20 -","- C72 H30 Cl8 N12 Ni O18 -","- C72 H30 Cl8 N12 Ni O18 -","1","0.5","","Karine Ozette; Philippe Leduc; Magali Palacio; Jean-Francois Bartoli; Kathleen M. Barkigia; Jack Fajer; Pierrette Battioni; Daniel Mansuy","New Metalloporphyrins with Extremely Altered Redox Properties: Synthesis, Structure, and Facile Reduction to Air-Stable π-Anion Radicals of Zinc and Nickel β-Heptanitroporphyrins","Journal of the American Chemical Society","1997","119","","6442","6443","10.1021/ja970882a","","","0.71073","Mo-Kα","","0.2","0.096","","","0.099","","","","","2.525","2.525","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116990","13.275","0.002","14.672","0.003","12.172","0.002","95.81","0.02","91.09","0.01","94.36","0.01","2350.9","0.7","290.2","","290.2","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H71 B O2 P2 Ru -","- C62 H56 B O2 P2 Ru -","- C124 H112 B2 O4 P4 Ru2 -","2","1","","Isaac de los Ríos; Manuel Jiménez Tenorio; M. Carmen Puerta; Pedro Valerga","Alternative Mechanisms of the Alkyne to Vinylidene Isomerization Promoted by Half-Sandwich Ruthenium Complexes. X-ray Crystal Structures of [Cp*RuCCHCOOMe(dippe)][BPh4] and [Cp*RuH(C\τbCCOOMe)(dippe)][BPh4] (dippe = 1,2-bis(diisopropylphosphino)ethane; Cp* = C5Me5)","Journal of the American Chemical Society","1997","119","","6529","6538","10.1021/ja9701220","","","0.7107","MoKalpha","","","0.0579","","","0.0695","","","","","1.687","1.687","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116991","16.167","0.007","28.707","0.004","10.257","0.006","90","","90","","90","","4760","4","290.2","","290.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71 B O2 P2 Ru -","- C52 H71 B O2 P2 Ru -","- C208 H284 B4 O8 P8 Ru4 -","4","1","","Isaac de los Ríos; Manuel Jiménez Tenorio; M. Carmen Puerta; Pedro Valerga","Alternative Mechanisms of the Alkyne to Vinylidene Isomerization Promoted by Half-Sandwich Ruthenium Complexes. X-ray Crystal Structures of [Cp*RuCCHCOOMe(dippe)][BPh4] and [Cp*RuH(C\τbCCOOMe)(dippe)][BPh4] (dippe = 1,2-bis(diisopropylphosphino)ethane; Cp* = C5Me5)","Journal of the American Chemical Society","1997","119","","6529","6538","10.1021/ja9701220","","","0.7107","MoKalpha","","","0.0642","","","0.0727","","","","","1.535","1.535","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116992","8.2788","0.0002","23.3285","0.0002","12.111","0.0002","90","","106.162","0.002","90","","2246.58","0.07","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 N4 -","- C24 H42 N4 -","- C96 H168 N16 -","4","1","","Stephen F. Nelsen; Michael T. Ramm; J. Jens Wolff; Douglas R. Powell","Intramolecular Electron Transfer between Doubly Four σ-Bond-Linked Tetraalkylhydrazine Cationic and Neutral Units","Journal of the American Chemical Society","1997","119","","6863","6872","10.1021/ja963415m","","","0.71073","MoKα","","0.0753","0.064","","0.1331","0.128","","","","1.202","1.245","1.245","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116993","11.2781","0.0002","12.2227","0.0002","22.9815","0.0002","79.02","0.002","76.686","0.002","76.421","0.002","2965.33","0.08","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H81 B2 N5 -","- C73 H81 B2 N5 -","- C146 H162 B4 N10 -","2","1","","Stephen F. Nelsen; Dwight A. Trieber; J. Jens Wolff; Douglas R. Powell; Shervalen Rogers-Crowley","Intramolecular Electron Transfer between Doubly Six σ-Bond-Linked Trialkyldiazenium Cation and Diazenyl Radical Units","Journal of the American Chemical Society","1997","119","","6873","6882","10.1021/ja9634177","","","0.71073","MoKα","","0.1074","0.0648","","0.167","0.1457","","","","1.065","1.16","1.16","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116994","8.352","0.002","10.2231","0.001","14.2308","0.001","90","","97.974","0.008","90","","1203.3","0.3","113","2","113","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C15 H20 N4 -","- C15 H20 N4 -","- C60 H80 N16 -","4","0.5","","Stephen F. Nelsen; Dwight A. Trieber; J. Jens Wolff; Douglas R. Powell; Shervalen Rogers-Crowley","Intramolecular Electron Transfer between Doubly Six σ-Bond-Linked Trialkyldiazenium Cation and Diazenyl Radical Units","Journal of the American Chemical Society","1997","119","","6873","6882","10.1021/ja9634177","","","1.54178","CuKα","","0.0534","0.0471","","0.121","0.1182","","","","1.098","1.125","1.125","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116995","35.79","0.008","10.502","0.005","12.401","0.003","90","","95.66","0.02","90","","4638","3","293","2","293","2","","","","","","","syntesis","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 I2 -","- C24 H26 I2 -","- C192 H208 I16 -","8","2","","José Barluenga; Isidro Llorente; Lorenzo J. Alvarez-García; José M. González; Pedro J. Campos; M. Rosario Díaz; Santiago García-Granda","Reactions of (tert-Butyldimethylsilyl)alkynes with IPy2BF4: Selective Synthesis of Novel Head-to-Head Dimers","Journal of the American Chemical Society","1997","119","","6933","6934","10.1021/ja970108n","","","0.71073","MoKα","","0.1325","0.0569","","0.1634","0.1524","","","","0.894","1.222","1.222","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116996","4.121","0.001","38.907","0.007","11.03","0.002","90","","93.68","0.01","90","","1764.9","0.6","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 O3 S -","- C19 H25 O3 S -","- C76 H100 O12 S4 -","4","1","","Weijin Li; Vincent Lynch; Heike Thompson; Marye Anne Fox","Self-Assembled Monolayers of 7-(10-Thiodecoxy)coumarin on Gold: Synthesis, Characterization, and Photodimerization","Journal of the American Chemical Society","1997","119","","7211","7217","10.1021/ja970633m","","","0.71073","MoKα","","0.1394","0.0958","","0.2468","0.2178","","","","1.202","1.32","1.32","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116997","14.95","0.002","22.361","0.002","9.6966","0.0003","90","","104.854","0.005","90","","3133.2","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Fe N5 O -","- C36 H44 Fe N5 O -","- C144 H176 Fe4 N20 O4 -","4","1","","Mary K. Ellison; W. Robert Scheidt","Structural Distortion in Five-Coordinate Nitrosyl Iron Porphyrins. Axial Ligand Tilting and Its Effect on Equatorial Geometry","Journal of the American Chemical Society","1997","119","","7404","7405","10.1021/ja971140k","","","0.71073","MoKα","","0.0523","0.0421","","0.1561","0.1515","","","","1.283","1.332","1.332","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116998","10.4204","0.0001","10.5562","0.0007","14.0425","0.0007","79.83","0.005","89.585","0.004","80.264","0.004","1498.1","0.13","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Fe N5 O -","- C36 H44 Fe N5 O -","- C72 H88 Fe2 N10 O2 -","2","1","","Mary K. Ellison; W. Robert Scheidt","Structural Distortion in Five-Coordinate Nitrosyl Iron Porphyrins. Axial Ligand Tilting and Its Effect on Equatorial Geometry","Journal of the American Chemical Society","1997","119","","7404","7405","10.1021/ja971140k","","","0.71073","MoKα","","0.0535","0.0412","","0.1128","0.1059","","","","1.024","1.057","1.057","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116999","16.948","0.027","18.224","0.025","20.316","0.017","79.39","0.08","72.11","0.1","66.73","0.11","5471","13","298","2","298","2","","","","","","","see text","5","P -1","-P 1","2","","1-Bromo-3,5-bis(1,3,4,5,6,7,8-heptaphenyl-2-naphthyl)benzene 3.5Nitrobenzene/1.0Toluene Solvate","","- C138 H98.5 Br N3.5 O7 -","- C138 H98.5 Br N3.5 O7 -","- C276 H197 Br2 N7 O14 -","2","1","","Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal","The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","1997","119","","7291","7302","10.1021/ja971261k","","","1.54178","CuKα","","0.1253","0.1152","","0.3262","0.3084","","","","1.035","1.081","1.081","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117000","16.922","0.002","13.627","0.002","20.291","0.003","77.741","0.009","72.291","0.008","85.612","0.008","4355.3","1.1","230","2","230","2","","","","","","","see text","5","P -1","-P 1","2","","1-Bromo-3,5-bis(1,3,4,5,6,7,8-heptaphenyl-2-naphthyl)benzene Nitrobenzene Solvate","","- C116 H78 Br N O2 -","- C110 H73 Br -","- C220 H146 Br2 -","2","1","","Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal","The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","1997","119","","7291","7302","10.1021/ja971261k","","","0.71073","MoKα","","0.2411","0.0788","","0.1886","0.1326","","","","0.684","1.093","1.093","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117001","12.433","0.012","25.507","0.019","27.736","0.047","114.89","0.07","100.08","0.09","90.61","0.08","7821","17","298","2","298","2","","","","","","","see text","2","P -1","-P 1","2","","1,3-bis(heptaphenyl-1-naphthyl)benzene","","- C110 H74 -","- C110 H74 -","- C440 H296 -","4","2","","Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal","The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","1997","119","","7291","7302","10.1021/ja971261k","","","1.54178","CuKα","","0.0704","0.0647","","0.1935","0.1831","","","","1.047","1.078","1.078","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117002","17.493","0.002","17.493","0.002","26.676","0.004","90","","90","","120","","7069.4","1.6","298","2","298","2","","","","","","","see text","5","P 32 2 1","P 32 2""","154","","1,3-Bis[4-(4-bromophenyl)-2,3,5,6,7,8-hexaphenyl-1-naphthyl]benzene . 2Dichloromethane . 4Methanol Solvate","","- C116 H92 Br2 Cl4 O4 -","- C110 H72 Br2 -","- C330 H216 Br6 -","3","0.5","","Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal","The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","1997","119","","7291","7302","10.1021/ja971261k","","","0.71073","MoKα","","0.1764","0.0554","","0.1155","0.092","","","","0.609","1.011","1.011","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117003","24.802","0.031","27.15","0.024","33.258","0.042","90","","98.77","0.11","90","","22133","4","298","2","298","2","","","","","","","chemical synthesis","3","P 1 21/c 1","-P 2ybc","14","","1,3,5-Tris(pentaphenylphenyl)benzene","","- C116.5 H80.5 Cl7.5 -","- C114 H78 -","- C912 H624 -","8","2","","Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal","The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","1997","119","","7291","7302","10.1021/ja971261k","","","1.54178","CuKα","","0.1269","0.1157","","0.3191","0.2978","","","","1.003","1.096","1.096","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117004","7.791","0.002","7.2907","0.001","12.399","0.0016","90","","96.33","0.02","90","","700","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-dihydro-1-hydroxy-2,3,1-benzodiazaborine","","- C7 H7 B N2 O -","- C7 H7 B N2 O -","- C28 H28 B4 N8 O4 -","4","1","","Michael P. Groziak; Liya Chen; Lin Yi; Paul D. Robinson","Planar Boron Heterocycles with Nucleic Acid-Like Hydrogen-Bonding Motifs","Journal of the American Chemical Society","1997","119","","7817","7826","10.1021/ja963784i","","","0.71069","MoKα","","","0.041","","","0.029","","","","","2.29","2.29","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117005","11.2028","0.0015","30.39","0.008","8.1221","0.0017","90","","90","","90","","2765.2","1","296","","296","","","","","","","","","5","F d d 2","F 2 -2d","43","","1-hydroxy-1H-2,3,1-benzoxazaborine","","- C7 H6 B N O2 -","- C7 H6 B N O2 -","- C112 H96 B16 N16 O32 -","16","1","","Michael P. Groziak; Liya Chen; Lin Yi; Paul D. Robinson","Planar Boron Heterocycles with Nucleic Acid-Like Hydrogen-Bonding Motifs","Journal of the American Chemical Society","1997","119","","7817","7826","10.1021/ja963784i","","","0.71069","MoKα","","","0.04","","","0.031","","","","","2.4","2.4","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117006","14.153","0.005","9.585","0.008","30.45","0.02","90","","96.18","0.04","90","","4107","5","273.2","","273.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H25 Cl F4 P Rh -","- C19 Cl F4 P Rh -","- C152 Cl8 F32 P8 Rh8 -","8","1","","Brian L. Edelbach; William D. Jones","Mechanism of Carbon-Fluorine Bond Activation by (C5Me5)Rh(PMe3)H2","Journal of the American Chemical Society","1997","119","","7734","7742","10.1021/ja970723r","","","0.7107","MoKalpha","","","0.0367","","","0.038","","","","","1.695","1.695","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117007","9.139","0.007","8.082","0.002","35.9","0.03","90","","93.95","0.06","90","","2645","3","233.2","","233.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl F9 P Rh -","- C25 Cl F9 P Rh -","- C100 Cl4 F36 P4 Rh4 -","4","1","","Brian L. Edelbach; William D. Jones","Mechanism of Carbon-Fluorine Bond Activation by (C5Me5)Rh(PMe3)H2","Journal of the American Chemical Society","1997","119","","7734","7742","10.1021/ja970723r","","","0.7107","MoKalpha","","","0.0491","","","0.0546","","","","","1.533","1.533","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117008","9.7329","0.001","8.3407","0.0009","31.741","0.003","90","","98.026","0.007","90","","2551.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Cl F7 O P Rh -","- C23 H26 Cl F7 O P Rh -","- C92 H104 Cl4 F28 O4 P4 Rh4 -","4","1","","Brian L. Edelbach; William D. Jones","Mechanism of Carbon-Fluorine Bond Activation by (C5Me5)Rh(PMe3)H2","Journal of the American Chemical Society","1997","119","","7734","7742","10.1021/ja970723r","","","0.71073","MoKα","","0.0813","0.0725","","0.1964","0.1901","","","","1.232","1.286","1.286","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117009","8.437","0.001","9.615","0.002","10.268","0.001","87.26","0.03","70.53","0.005","80.77","0.01","775.1","0.2","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H48 N12 Nb2 -","- C28 H48 N12 Nb2 -","- C28 H48 N12 Nb2 -","1","0.5","","F. Albert Cotton; John H. Matonic; Carlos A. Murillo","A New Type of Divalent Niobium Compound: The First Nb-Nb Triple Bond in a Tetragonal Lantern Environment","Journal of the American Chemical Society","1997","119","","7889","7890","10.1021/ja9715152","","","0.71073","MoKα","","0.0442","0.0392","","0.0927","0.0887","","","","1.081","1.081","1.081","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117010","6.328","0.003","16.743","0.008","21.03","0.02","90","","90","","90","","2228","3","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O5 -","- C22 H38 O5 -","- C88 H152 O20 -","4","1","","Laura R. Cook; Hitoshi Oinuma; Marcus A. Semones; Yoshito Kishi","The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin","Journal of the American Chemical Society","1997","119","","7928","7937","10.1021/ja971259t","","","0.71073","MoKα","","0.1371","0.076","","0.1824","0.1409","","","","1.214","1.238","1.238","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117011","6.412","0.001","10.744","0.003","31.257","0.009","90","","90","","90","","2153.3","0.9","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O5 -","- C22 H38 O5 -","- C88 H152 O20 -","4","1","","Laura R. Cook; Hitoshi Oinuma; Marcus A. Semones; Yoshito Kishi","The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin","Journal of the American Chemical Society","1997","119","","7928","7937","10.1021/ja971259t","","","0.71073","MoKα","","0.0523","0.0436","","0.1189","0.1059","","","","1.075","1.036","1.036","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117012","13.6105","0.0013","6.085","0.0006","20.975","0.002","90","","96.585","0.001","90","","1725.7","0.3","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H36 N4 O16 -","- C33 H36 N4 O16 -","- C66 H72 N8 O32 -","2","1","","Laura R. Cook; Hitoshi Oinuma; Marcus A. Semones; Yoshito Kishi","The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin","Journal of the American Chemical Society","1997","119","","7928","7937","10.1021/ja971259t","","","0.71073","MoKα","","0.1305","0.0896","","0.1661","0.1418","","","","1.622","1.673","1.673","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117013","5.7155","0.0005","11.0402","0.0011","28.497","0.003","90","","90","","90","","1798.2","0.3","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Laura R. Cook; Hitoshi Oinuma; Marcus A. Semones; Yoshito Kishi","The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin","Journal of the American Chemical Society","1997","119","","7928","7937","10.1021/ja971259t","","","0.71073","MoKα","","0.0977","0.0616","","0.1515","0.1234","","","","1.157","1.138","1.138","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117014","22.09","0.002","23.421","0.004","12.467","0.002","90","","90","","90","","6450.1","1.6","293","2","293","2","","","","","","","","3","F m m 2","F 2 -2","42","","Cs6Ge8Zn","","- Cs6 Ge8 Zn -","- Cs6 Ge8 Zn -","- Cs72 Ge96 Zn12 -","12","0.75","","Virginie Queneau; Slavi C. Sevov","Cs6Ge8Zn: A Zintl Phase with Isolated Heteroatomic Clusters of Ge8Zn","Journal of the American Chemical Society","1997","119","","8109","8110","10.1021/ja9717121","","","0.71073","MoKα","","0.1524","0.0795","","0.1995","0.144","","","","1.143","1.08","1.08","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117015","5.103","0.002","10.991","0.004","19.103","0.006","90","","90.77","","90","","1071.3","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 O3 -","- C11 H20 O3 -","- C44 H80 O12 -","4","1","","Jennifer L. Liras; Vincent M. Lynch; Eric V. Anslyn","The Ratio between Endocyclic and Exocyclic Cleavage of Pyranoside Acetals Is Dependent upon the Anomer, the Temperature, the Aglycon Group, and the Solvent","Journal of the American Chemical Society","1997","119","","8191","8200","10.1021/ja963807t","","","0.71073","MoKα","","0.1009","0.0476","","0.1095","0.0892","","","","1.006","1.106","1.106","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117016","7.245","0.002","14.727","0.003","14.835","0.004","90.18","0.02","92.9","0.02","90.02","0.02","1580.8","0.7","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H70 N4 O18 -","- C64 H70 N4 O18 -","- C64 H70 N4 O18 -","1","0.5","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.1971","0.1138","","0.3561","0.28","","","","1.06","1.102","1.102","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117017","11.105","0.004","25.744","0.007","14.022","0.003","90","","108.09","0.02","90","","3811","2","198","2","198","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C93 H65 N11 O8 -","- C93 H65 N11 O8 -","- C186 H130 N22 O16 -","2","0.5","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.1841","0.0622","","0.1755","0.1305","","","","1.06","1.164","1.164","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117018","13.736","0.003","14.032","0.003","17.029","0.003","93.77","0.03","110.92","0.03","111.81","0.03","2770.9","1.5","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H62 N4 O16 -","- C60 H62 N4 O16 -","- C120 H124 N8 O32 -","2","1","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.0878","0.0457","","0.1518","0.1129","","","","1.046","1.067","1.067","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117019","10.599","0.003","11.301","0.004","12.535","0.006","85.7","0.04","70.19","0.04","79.15","0.03","1387.2","1","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 N4 O16 Zn -","- C60 H60 N4 O16 Zn -","- C60 H60 N4 O16 Zn -","1","0.5","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.1498","0.0977","","0.2977","0.2515","","","","1.06","1.105","1.105","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117020","10.212","0.003","12.365","0.003","14.628","0.003","99.71","0.02","108.52","0.02","107.49","0.02","1597.6","0.8","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H66 Cl6 N4 O12 Zn -","- C62.992 H65.984 Cl6 N4 O11.998 Zn -","- C62.992 H65.984 Cl6 N4 O11.998 Zn -","1","0.5","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.1022","0.068","","0.2187","0.1883","","","","1.071","1.089","1.089","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117021","13.937","0.004","16.443","0.005","19.541","0.006","90","","106.71","0.02","90","","4289","2","198","2","198","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C95 H100 Cl Mn N4 O12 -","- C95 H100 Cl Mn N4 O12 -","- C190 H200 Cl2 Mn2 N8 O24 -","2","0.5","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.2283","0.0792","","0.2707","0.1738","","","","1.061","1.196","1.196","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117022","10.6237","0.0002","12.0664","0.0002","18.5999","0.0002","90.5938","0.0008","103.137","0.0008","94.1739","0.0004","2314.87","0.06","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H45 N O -","- C26 H45 N O -","- C104 H180 N4 O4 -","4","2","","D. Tyler McQuade; Sonya L. McKay; Douglas R. Powell; Samuel H. Gellman","Indifference to Hydrogen Bonding in a Family of Secondary Amides","Journal of the American Chemical Society","1997","119","","8528","8532","10.1021/ja9711019","","","0.71073","MoKα","","0.1319","0.0964","","0.1647","0.154","","","","1.299","1.406","1.406","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117023","14.173","0.0004","7.291","0.0002","30.045","0.0005","90","","90","","90","","3104.71","0.13","133","2","133","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H19 N O -","- C21 H19 N O -","- C168 H152 N8 O8 -","8","1","","D. Tyler McQuade; Sonya L. McKay; Douglas R. Powell; Samuel H. Gellman","Indifference to Hydrogen Bonding in a Family of Secondary Amides","Journal of the American Chemical Society","1997","119","","8528","8532","10.1021/ja9711019","","","0.71073","MoKα","","0.0961","0.0659","","0.1333","0.1158","","","","1.265","1.288","1.288","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117024","8.9722","0.0002","9.8641","0.0002","24.0202","0.0005","90","","90","","90","","2125.85","0.08","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O -","- C28 H25 N O -","- C112 H100 N4 O4 -","4","1","","D. Tyler McQuade; Sonya L. McKay; Douglas R. Powell; Samuel H. Gellman","Indifference to Hydrogen Bonding in a Family of Secondary Amides","Journal of the American Chemical Society","1997","119","","8528","8532","10.1021/ja9711019","","","0.71073","MoKα","","0.0365","0.0314","","0.0797","0.0741","","","","1.082","1.048","1.048","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117025","10.5912","0.0009","12.958","0.002","10.617","0.001","90","","92.696","0.009","90","","1455.5","0.3","294.2","","294.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Fe3 N16 -","- C24 H26 Fe2.5 N16 -","- C48 H52 Fe5 N32 -","2","0.5","","Steven J. Rettig; Alan Storr; David A. Summers; Robert C. Thompson; James Trotter","Transition Metal Azolates from Metallocenes. 2. Synthesis, X-ray Structure, and Magnetic Properties of a Three-Dimensional Polymetallic Iron(II) Imidazolate Complex, a Low-Temperature Weak Ferromagnet","Journal of the American Chemical Society","1997","119","","8675","8680","10.1021/ja971558i","","","0.7107","MoKα","","0.125","0.033","","0.037","0.031","","","","","1.53","1.53","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117026","6.43","0.001","16.119","0.002","9.118","0.001","90","","93.53","0.01","90","","943.2","0.2","294","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Ganesh Pandey; Saumen Hajra; Manas K. Ghorai; K. Ravi Kumar","Designing Photosystems for Harvesting Photons into Electrons by Sequential Electron-Transfer Processes: Reversing the Reactivity Profiles of α,β-Unsaturated Ketones as Carbon Radical Precursor by One Electron Reductive β-Activation","Journal of the American Chemical Society","1997","119","","8777","8787","10.1021/ja9641564","","","0.71073","MoKα","","","0.054","","","0.062","","","","","1.3","1.3","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117027","20.636","0.002","20.636","0.002","20.636","0.002","90","","90","","90","","8787.7","1.5","173","2","173","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C42 H64 B F4 N3 O7 Zn -","- C42 H63.99 B F4 N3 O7 Zn -","- C336 H511.92 B8 F32 N24 O56 Zn8 -","8","0.333333","","Achim Sokolowski; Jochen Müller; Thomas Weyhermüller; Robert Schnepf; Peter Hildebrandt; Knut Hildenbrand; Eberhard Bothe; Karl Wieghardt","Phenoxyl Radical Complexes of Zinc(II)","Journal of the American Chemical Society","1997","119","","8889","8900","10.1021/ja970417d","","","0.71073","MoKα","","0.0385","0.0352","","0.1065","0.0974","","","","1.055","1.054","1.054","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117028","12.118","0.002","19.723","0.003","19.266","0.003","90","","104.23","0.02","90","","4463.4","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47.5 H69 N3 O3 Zn -","- C47.5 H69 N3 O3 Zn -","- C190 H276 N12 O12 Zn4 -","4","1","","Achim Sokolowski; Jochen Müller; Thomas Weyhermüller; Robert Schnepf; Peter Hildebrandt; Knut Hildenbrand; Eberhard Bothe; Karl Wieghardt","Phenoxyl Radical Complexes of Zinc(II)","Journal of the American Chemical Society","1997","119","","8889","8900","10.1021/ja970417d","","","0.71073","MoKα","","0.0577","0.0479","","0.1336","0.1206","","","","1.025","1.041","1.041","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117029","15.389","0.003","11.236","0.002","18.449","0.003","90","","100.7","0.03","90","","3134.6","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H45 N3 O4 Zn -","- C35 H45 N3 O4 Zn -","- C140 H180 N12 O16 Zn4 -","4","1","","Achim Sokolowski; Jochen Müller; Thomas Weyhermüller; Robert Schnepf; Peter Hildebrandt; Knut Hildenbrand; Eberhard Bothe; Karl Wieghardt","Phenoxyl Radical Complexes of Zinc(II)","Journal of the American Chemical Society","1997","119","","8889","8900","10.1021/ja970417d","","","0.71073","MoKα","","0.1047","0.049","","0.1013","0.0826","","","","0.989","1.05","1.05","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117030","28.055","0.002","11.721","0.001","9.883","0.001","90","","98.84","0.01","90","","3211.2","0.5","178","2","178","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","1","","Michael P. Doyle; Chad S. Peterson; Marina N. Protopopova; Alan B. Marnett; Dann L. Parker; Doina G. Ene; Vincent Lynch","Macrocycle Formation by Catalytic Intramolecular Cyclopropanation. A New General Methodology for the Synthesis of Macrolides","Journal of the American Chemical Society","1997","119","","8826","8837","10.1021/ja971687z","","","0.71073","MoKα","","0.0635","0.043","","0.1094","0.0985","","","","1.022","1.077","1.077","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117031","6.914","0.001","11.787","0.003","5.614","0.001","90","","100.4","0.01","90","","450","0.15","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ammonium dinitramide","","- H4 N4 O4 -","- H4 N4 O4 -","- H16 N16 O16 -","4","1","","Richard Gilardi; J. Flippen-Anderson; Clifford George; Ray J. Butcher","A New Class of Flexible Energetic Salts: The Crystal Structures of the Ammonium, Lithium, Potassium, and Cesium Salts of Dinitramide","Journal of the American Chemical Society","1997","119","","9411","9416","10.1021/ja9709280","","","0.71073","MoKα","","0.0426","0.0307","","0.0888","0.0714","","","","1.028","1.084","1.084","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117032","5.9164","0.0004","5.9164","0.0004","19.712","0.003","90","","90","","90","","689.99","0.12","223","2","223","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","Lithium dinitramide","","- Li N3 O4 -","- Li N3 O4 -","- Li8 N24 O32 -","8","0.5","","Richard Gilardi; J. Flippen-Anderson; Clifford George; Ray J. Butcher","A New Class of Flexible Energetic Salts: The Crystal Structures of the Ammonium, Lithium, Potassium, and Cesium Salts of Dinitramide","Journal of the American Chemical Society","1997","119","","9411","9416","10.1021/ja9709280","","","1.54178","CuKα","","0.0464","0.0409","","0.1112","0.1068","","","","1.155","1.193","1.193","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117033","6.614","0.001","9.28","0.002","7.198","0.001","90","","97.58","0.01","90","","437.94","0.13","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Potassium dinitramide","","- K N3 O4 -","- K N3 O4 -","- K4 N12 O16 -","4","1","","Richard Gilardi; J. Flippen-Anderson; Clifford George; Ray J. Butcher","A New Class of Flexible Energetic Salts: The Crystal Structures of the Ammonium, Lithium, Potassium, and Cesium Salts of Dinitramide","Journal of the American Chemical Society","1997","119","","9411","9416","10.1021/ja9709280","","","1.54178","CuKα","","0.0297","0.0281","","0.0966","0.0798","","","","1.089","1.101","1.101","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117034","7.74","0.002","9.059","0.002","14.818","0.004","90","","90","","90","","1039","0.5","233","2","233","2","","","","","","","","3","P c 21 b","P -2bc -2c","29","","","","- Cs N3 O4 -","- Cs N3 O4 -","- Cs8 N24 O32 -","8","2","","Richard Gilardi; J. Flippen-Anderson; Clifford George; Ray J. Butcher","A New Class of Flexible Energetic Salts: The Crystal Structures of the Ammonium, Lithium, Potassium, and Cesium Salts of Dinitramide","Journal of the American Chemical Society","1997","119","","9411","9416","10.1021/ja9709280","","","0.71073","MoKα","","0.0197","0.0169","","0.0492","0.0416","","","","1.086","1.097","1.097","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117035","6.637","0.003","23.275","0.014","7.86","0.005","90","","113.21","0.05","90","","1115.9","1.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,5,7-Pentanitrocubane","","- C8 H3 N5 O10 -","- C8 H3 N5 O10 -","- C32 H12 N20 O40 -","4","1","","Kirill A. Lukin; Jianchang Li; Philip E. Eaton; Nobuhiro Kanomata; Jürgen Hain; Eric Punzalan; Richard Gilardi","Synthesis and Chemistry of 1,3,5,7-Tetranitrocubane Including Measurement of Its Acidity, Formation of o-Nitro Anions, and the First Preparations of Pentanitrocubane and Hexanitrocubane 1","Journal of the American Chemical Society","1997","119","","9591","9602","10.1021/ja970552q","","","1.54178","CuKα","","0.1136","0.0668","","0.2497","0.1647","","","","1.109","1.1","1.1","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117036","13.0102","0.0007","7.7242","0.0006","18.0758","0.0012","90","","95.404","0.007","90","","1808.4","0.2","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2,3,4,5,7-Hexanitrocubane acetonitrile solvate (two solvent molecules per cubane molecule)","","- C12 H8 N8 O12 -","- C12 H8 N8 O12 -","- C48 H32 N32 O48 -","4","0.5","","Kirill A. Lukin; Jianchang Li; Philip E. Eaton; Nobuhiro Kanomata; Jürgen Hain; Eric Punzalan; Richard Gilardi","Synthesis and Chemistry of 1,3,5,7-Tetranitrocubane Including Measurement of Its Acidity, Formation of o-Nitro Anions, and the First Preparations of Pentanitrocubane and Hexanitrocubane 1","Journal of the American Chemical Society","1997","119","","9591","9602","10.1021/ja970552q","","","1.54178","CuKα","","0.0407","0.0393","","0.1062","0.1057","","","","1.159","1.166","1.166","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117037","12.996","0.002","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","","","","- C41 H34 Cl4 Cr3 N12 -","- C40.5 H31 Cl3.5 Cr3 N12 -","- C81 H62 Cl7 Cr6 N24 -","2","0.5","","Cotton, F. Albert; Daniels, Lee M.; Murillo, Carlos A.; Pascual, Isabel","Compounds with Linear, Bonded Trichromium Chains","Journal of the American Chemical Society","1997","119","42","10223","10224","10.1021/ja971998+","","","0.71073","MoKα","","0.0644","0.0557","","0.151","0.1438","","","","1.401","1.417","1.417","","","","","has coordinates,has disorder","270159","2021-10-29","11:47:50",""
"4117038","19.114","0.002","16.746","0.001","15.6554","0.001","90","","110.92","0.01","90","","4680.7","0.7","213","2","213","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H34 B Cl3 Cr3 F4 N12 -","- C42 H36 B Cl5 Cr3 F4 N12 -","- C168 H144 B4 Cl20 Cr12 F16 N48 -","4","0.5","","Cotton, F. Albert; Daniels, Lee M.; Murillo, Carlos A.; Pascual, Isabel","Compounds with Linear, Bonded Trichromium Chains","Journal of the American Chemical Society","1997","119","42","10223","10224","10.1021/ja971998+","","","0.71073","MoKα","","0.0378","0.0353","","0.0907","0.0881","","","","1.053","1.065","1.065","","","","","has coordinates,has disorder","270159","2021-10-29","11:47:50",""
"4117039","23.8784","0.0014","29.488","0.001","14.244","0.008","90","","90","","90","","10030","6","213","2","213","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H50 B2 Cl4 Cr3 F9 N12 -","- C39.1111 H28.4444 B1.77778 Cl2.22222 Cr2.66667 F8 N10.6667 -","- C352 H256 B16 Cl20 Cr24 F72 N96 -","9","2.25","","Cotton, F. Albert; Daniels, Lee M.; Murillo, Carlos A.; Pascual, Isabel","Compounds with Linear, Bonded Trichromium Chains","Journal of the American Chemical Society","1997","119","42","10223","10224","10.1021/ja971998+","","","0.71073","MoKα","","0.103","0.0792","","0.2349","0.2028","","","","1.101","1.074","1.074","","","","","has coordinates","270159","2021-10-29","11:47:50",""
"4117040","15.5579","0.0006","11.2565","0.0004","19.1583","0.0007","90","","111.84","0.002","90","","3114.3","0.2","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H90 B2 N4 -","- C78 H90 B2 N4 -","- C156 H180 B4 N8 -","2","0.5","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge-Localized p-Phenylenedihydrazine Radical Cations: ESR and Optical Studies of Intramolecular Electron Transfer Rates","Journal of the American Chemical Society","1997","119","","10213","10222","10.1021/ja9720321","","","0.71073","MoKα","","0.0693","0.0569","","0.1263","0.1193","","","","1.25","1.287","1.287","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117041","7.6781","0.0004","13.128","0.0008","21.1967","0.0012","90","","92.418","0.002","90","","2134.7","0.2","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 B N2 -","- C24 H28 B N2 -","- C96 H112 B4 N8 -","4","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge-Localized p-Phenylenedihydrazine Radical Cations: ESR and Optical Studies of Intramolecular Electron Transfer Rates","Journal of the American Chemical Society","1997","119","","10213","10222","10.1021/ja9720321","","","0.71073","MoKα","","0.074","0.0518","","0.1206","0.1032","","","","1.154","1.127","1.127","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117042","9.5607","0.0002","13.7553","0.0002","25.5637","0.0002","90","","96.846","0.002","90","","3337.92","0.09","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H92 B2 N6 -","- C80 H92 B2 N6 -","- C160 H184 B4 N12 -","2","0.5","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge-Localized p-Phenylenedihydrazine Radical Cations: ESR and Optical Studies of Intramolecular Electron Transfer Rates","Journal of the American Chemical Society","1997","119","","10213","10222","10.1021/ja9720321","","","0.71073","MoKα","","0.0787","0.0502","","0.1284","0.1141","","","","1.025","1.082","1.082","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117043","20.713","0.0003","9.6069","0.0002","23.0974","0.0004","90","","100.102","0.002","90","","4524.85","0.14","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H70 B N4 -","- C54.0135 H70.0225 B N4.0018 -","- C216.054 H280.09 B4 N16.0072 -","4","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge-Localized p-Phenylenedihydrazine Radical Cations: ESR and Optical Studies of Intramolecular Electron Transfer Rates","Journal of the American Chemical Society","1997","119","","10213","10222","10.1021/ja9720321","","","0.71073","MoKα","","0.0845","0.0643","","0.1524","0.1372","","","","1.178","1.208","1.208","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117044","13.372","0.007","12.838","0.008","18.645","0.012","90","","110.98","0.04","90","","2989","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H34 Cl6 N4 O4 Pt2 -","- C18 H4 Cl6 N4 O4 Pt2 -","- C72 H16 Cl24 N16 O16 Pt8 -","4","1","","Giuliano Bandoli; Paola A. Caputo; Francesco P. Intini; Maria F. Sivo; Giovanni Natile","Synthesis and X-ray Structural Characterization of Two Unbridged Diplatinum(III) Compounds: cis- and trans-Bis[bis(1-imino-1-methoxyethane)trichloroplatinum(III)]. Transient Species in the Oxidation of Platinum(II) to Platinum(IV)","Journal of the American Chemical Society","1997","119","","10370","10376","10.1021/ja964170g","","","0.71073","MoKα","","0.1131","0.0536","","0.16","0.1238","","","","0.687","0.811","0.811","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117045","11.218","0.009","11.649","0.011","22.995","0.019","90","","95.94","0.07","90","","2989","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H34 Cl6 N4 O4 Pt2 -","- C18 Cl6 N4 O4 Pt2 -","- C72 Cl24 N16 O16 Pt8 -","4","0.5","","Giuliano Bandoli; Paola A. Caputo; Francesco P. Intini; Maria F. Sivo; Giovanni Natile","Synthesis and X-ray Structural Characterization of Two Unbridged Diplatinum(III) Compounds: cis- and trans-Bis[bis(1-imino-1-methoxyethane)trichloroplatinum(III)]. Transient Species in the Oxidation of Platinum(II) to Platinum(IV)","Journal of the American Chemical Society","1997","119","","10370","10376","10.1021/ja964170g","","","0.71073","MoKα","","0.1167","0.0661","","0.2215","0.1578","","","","0.994","1.117","1.117","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117046","9.1222","0.0002","10.1711","0.0002","10.5369","0.0001","63.696","0.001","84.25","","89.698","0.001","871.16","0.03","198","2","198","2","","","","","","","","7","P -1","-P 1","2","","2,3'-dicyanodiphenylacetylene silver(I) triflate","","- C17 H8 Ag F3 N2 O3 S -","- C17 H8 Ag F3 N2 O3 S -","- C34 H16 Ag2 F6 N4 O6 S2 -","2","1","","Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore","Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations","Journal of the American Chemical Society","1997","119","","10401","10412","10.1021/ja971135g","","","0.71073","MoKα","","0.0424","0.0334","","0.0739","0.0666","","","","1.143","1.1","1.1","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117047","7.5089","0.0004","9.8145","0.0005","11.22","0.0006","69.995","0.001","80.16","","83.517","0.002","764.22","0.07","293","2","198","2","","","","","","","","6","P -1","-P 1","2","","2,3'-dicyanodiphenylacetylene silver(I) perchlorate","","- C16 H8 Ag Cl N2 O4 -","- C16 H8 Ag Cl N2 O4 -","- C32 H16 Ag2 Cl2 N4 O8 -","2","1","","Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore","Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations","Journal of the American Chemical Society","1997","119","","10401","10412","10.1021/ja971135g","","","0.71073","MoKα","","0.0576","0.0429","","0.0957","0.0842","","","","1.239","1.202","1.202","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117048","8.62","0.0005","10.5473","0.0005","10.8146","0.0004","62.106","0.002","88.499","0.003","86.486","0.002","867.36","0.07","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","2.3'-dicyanodiphenylacetylene silver(I) hexafluoroantimonate","","- C16 H8 Ag F6 N2 Sb -","- C16 H8 Ag F6 N2 Sb -","- C32 H16 Ag2 F12 N4 Sb2 -","2","1","","Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore","Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations","Journal of the American Chemical Society","1997","119","","10401","10412","10.1021/ja971135g","","","0.71073","MoKα","","0.1116","0.0682","","0.1508","0.1196","","","","1.16","1.17","1.17","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117049","12.9134","0.0015","19.849","0.002","6.8919","0.0008","90","","90","","90","","1766.5","0.3","198","2","198","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","2,2'-dicyanodiphenylacetylene silver(I) triflate","","- C17 H8 Ag F3 N2 O3 S -","- C17 H8 Ag F3 N2 O3 S -","- C68 H32 Ag4 F12 N8 O12 S4 -","4","0.5","","Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore","Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations","Journal of the American Chemical Society","1997","119","","10401","10412","10.1021/ja971135g","","","0.71073","MoKα","","0.114","0.0506","","0.1044","0.0824","","","","1.117","1.177","1.177","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117050","10.5845","0.0003","14.5015","0.0001","11.9019","0.0003","90","","107.4","0.001","90","","1743.24","0.07","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2,4'-dicyanodiphenylacetylene silver(I) triflate","","- C17 H8 Ag F3 N2 O3 S -","- C17 H8 Ag F3 N2 O3 S -","- C68 H32 Ag4 F12 N8 O12 S4 -","4","1","","Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore","Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations","Journal of the American Chemical Society","1997","119","","10401","10412","10.1021/ja971135g","","","0.71073","MoKα","","0.0644","0.0409","","0.1092","0.0945","","","","1.043","1.066","1.066","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117051","12.8145","0.0009","13.955","0.001","11.166","0.0009","90","","90","","90","","1996.8","0.3","168","2","168","2","","","","","","","synthesis","5","P n n 2","P 2 -2n","34","","","","- C42 H36 Cl6 Co3 N12 -","- C41 H32 Cl4 Co3 N12 -","- C82 H64 Cl8 Co6 N24 -","2","0.5","","F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Carlos A. Murillo","Symmetrical and Unsymmetrical Compounds Having a Linear Co36+ Chain Ligated by a Spiral Set of Dipyridyl Anions","Journal of the American Chemical Society","1997","119","","10377","10381","10.1021/ja971997h","","","0.71073","MoKα","","0.0468","0.0325","","0.0836","0.0775","","","","1.035","1.046","1.046","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117052","13.803","0.008","13.803","0.002","14.946","0.0003","90","","90","","90","","2847.6","1.7","213","2","213","2","","","","","","","synthesis","5","P 4/n :2","-P 4a","85","","","","- C60 H48 Cl2 Co4 N18 -","- C60 H48 Cl2 Co4 N18 -","- C120 H96 Cl4 Co8 N36 -","2","0.25","","F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Carlos A. Murillo","Symmetrical and Unsymmetrical Compounds Having a Linear Co36+ Chain Ligated by a Spiral Set of Dipyridyl Anions","Journal of the American Chemical Society","1997","119","","10377","10381","10.1021/ja971997h","","","0.71073","MoKα","","0.0503","0.0393","","0.0993","0.0908","","","","1.112","1.128","1.128","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117053","18.777","0.007","16.538","0.002","15.455","0.006","90","","109.73","0.02","90","","4518","3","168","2","168","2","","","","","","","synthesis","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 B Cl5 Co3 F4 N12 -","- C42 H32 B Cl5 Co3 F4 N12 -","- C168 H128 B4 Cl20 Co12 F16 N48 -","4","0.5","","F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Carlos A. Murillo","Symmetrical and Unsymmetrical Compounds Having a Linear Co36+ Chain Ligated by a Spiral Set of Dipyridyl Anions","Journal of the American Chemical Society","1997","119","","10377","10381","10.1021/ja971997h","","","0.71073","MoKα","","0.101","0.0422","","0.1135","0.0954","","","","1.022","1.142","1.142","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117054","20.594","0.002","13.754","0.004","18.937","0.004","90","","114.76","0.02","90","","4871","2","213","2","213","2","","","","","","","synthesis","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 B2 Cl4 Co3 F8 N12 -","- C42 H32 B2 Cl4 Co3 F8 N12 -","- C168 H128 B8 Cl16 Co12 F32 N48 -","4","1","","F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Carlos A. Murillo","Symmetrical and Unsymmetrical Compounds Having a Linear Co36+ Chain Ligated by a Spiral Set of Dipyridyl Anions","Journal of the American Chemical Society","1997","119","","10377","10381","10.1021/ja971997h","","","0.71073","MoKα","","0.095","0.07","","0.1686","0.1482","","","","1.067","1.077","1.077","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117055","17.221","0.004","13.147","0.001","17.332","0.003","90","","106.29","0.01","90","","3766.5","1.1","293","2","127","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","octaehthylporphyrin diacid, perchlorate salt","","","- C144 H192 Cl8 N16 O32 -","- C144 H192 Cl8 N16 O32 -","- C144 H192 Cl8 N16 O32 -","1","0.25","","Beisong Cheng; Orde Q. Munro; Helder M. Marques; W. Robert Scheidt","An Analysis of Porphyrin Molecular Flexibility Use of Porphyrin Diacids","Journal of the American Chemical Society","1997","119","","10732","10742","10.1021/ja9716214","","","0.71073","MoKα","","0.1317","0.069","","0.1898","0.154","","","","1.046","1.154","1.154","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117056","8.074","0.002","31.411","0.015","17.021","0.006","90","","98.17","0.04","90","","4273","3","293","2","127","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetraphenylporhyrin dicacid, perchorate salt","","","- C200 H152 Cl8 N16 O32 -","- C200 H152 Cl8 N16 O32 -","- C200 H152 Cl8 N16 O32 -","1","0.25","","Beisong Cheng; Orde Q. Munro; Helder M. Marques; W. Robert Scheidt","An Analysis of Porphyrin Molecular Flexibility Use of Porphyrin Diacids","Journal of the American Chemical Society","1997","119","","10732","10742","10.1021/ja9716214","","","0.71073","MoKα","","0.2523","0.1073","","0.2745","0.2087","","","","1.011","1.296","1.296","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117057","14.288","0.003","19.153","0.011","19.622","0.009","97.8","0.01","99.16","0.02","98.12","0.02","5179","4","127","1","293","2","","","","","","","","6","P -1","-P 1","2","tetramesitylporphyrin diacid, perchlorate salt","","","- C228 H223.84 Cl7.92 N16 O33.68 Zn0.04 -","- C228 H223.84 Cl7.92 N16 O33.68 Zn0.04 -","- C228 H223.84 Cl7.92 N16 O33.68 Zn0.04 -","1","0.5","","Beisong Cheng; Orde Q. Munro; Helder M. Marques; W. Robert Scheidt","An Analysis of Porphyrin Molecular Flexibility Use of Porphyrin Diacids","Journal of the American Chemical Society","1997","119","","10732","10742","10.1021/ja9716214","","","0.71073","MoKα","","0.1422","0.0796","","0.2112","0.1752","","","","1.043","1.169","1.169","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117058","9.154","0.002","10.377","0.002","11.362","0.002","90","","93.69","0.03","90","","1077.1","0.4","218","2","218","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Wolfram W. Sander; Götz Bucher; Holger Wandel; Elfi Kraka; Dieter Cremer; William S. Sheldrick","Photochemistry of p-Benzoquinone Diazide Carboxylic Acids: Formation of 2,4-Didehydrophenols","Journal of the American Chemical Society","1997","119","","10660","10672","10.1021/ja971731a","","","0.71073","MoKα","","0.1389","0.0609","","0.1596","0.1274","","","","0.907","1.143","1.143","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117059","16.0335","0.0003","17.4135","0.0001","18.3742","0.0003","90","","90","","90","","5130.06","0.13","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H40 Ni P2 S -","- C26 H40 Ni P2 S -","- C208 H320 Ni8 P16 S8 -","8","1","","David A. Vicic; William D. Jones","Room-Temperature Desulfurization of Dibenzothiophene Mediated by [(i-Pr2PCH2)2NiH]2","Journal of the American Chemical Society","1997","119","","10855","10856","10.1021/ja972544f","","","0.71073","MoKα","","0.0616","0.0485","","0.086","0.082","","","","1.226","1.261","1.261","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117060","16.3477","0.0001","16.6742","0.0002","17.2145","0.0001","118.508","0.001","92.706","0.001","104.855","0.001","3905.41","0.08","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H65 F6 Ni2 P5 S -","- C28 H65 F6 Ni2 P5 S -","- C112 H260 F24 Ni8 P20 S4 -","4","2","","David A. Vicic; William D. Jones","Room-Temperature Desulfurization of Dibenzothiophene Mediated by [(i-Pr2PCH2)2NiH]2","Journal of the American Chemical Society","1997","119","","10855","10856","10.1021/ja972544f","","","0.71073","MoKα","","0.0796","0.0558","","0.1297","0.1176","","","","1.045","1.119","1.119","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117061","9.295","0.004","19.67","0.01","8.886","0.006","94.36","0.03","102.95","0.04","87.04","0.04","1577.7","1.5","288.2","","288.2","","","","","","","","cyclen-attached uracil , picric adic","4","P -1","-P 1","2","cyclen-attached uracil dipicrate","","","- C25 H32 N12 O17 -","- C25 H32 N12 O17 -","- C50 H64 N24 O34 -","2","1","","Eiichi Kimura; Hideyuki Kitamura; Tohru Koike; Motoo Shiro","Facile and Selective Electrostatic Stabilization of Uracil N(1)-Anion by a Proximate Protonated Amine: A Chemical Implication for Why Uracil N(1) Is Chosen for Glycosylation Site","Journal of the American Chemical Society","1997","119","","10909","10919","10.1021/ja972129n","","","0.7107","MoKα","","","0.0541","","","0.081","","","","","1.79","1.79","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117062","9.461","0.003","13.156","0.004","8.687","0.002","101.21","0.02","103.55","0.02","73.21","0.02","997","0.5","296.2","","296.2","","","","","","","","cyclen-attached uracil, zinc perchlorate","6","P -1","-P 1","2","cyclen-attached uracil zinc complex","","","- C13 H25 Cl N6 O7 Zn -","- C13 H25 Cl N6 O7 Zn -","- C26 H50 Cl2 N12 O14 Zn2 -","2","1","","Eiichi Kimura; Hideyuki Kitamura; Tohru Koike; Motoo Shiro","Facile and Selective Electrostatic Stabilization of Uracil N(1)-Anion by a Proximate Protonated Amine: A Chemical Implication for Why Uracil N(1) Is Chosen for Glycosylation Site","Journal of the American Chemical Society","1997","119","","10909","10919","10.1021/ja972129n","","","1.5418","CuKα","","","0.0626","","","0.093","","","","","1.782","1.782","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117063","8.5231","0.0013","8.5231","0.0013","32.956","0.007","90","","90","","90","","2394","0.7","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","(Me5CpMoCl)2B4H7","","- C20 H37 B3 Cl2 Mo2 -","- C20 H37 B3 Cl2 Mo2 -","- C80 H148 B12 Cl8 Mo8 -","4","0.5","","Simon Aldridge; Maoyu Shang; Thomas P. Fehlner","Origins of Unsaturation in Group 6 Metallaboranes. Synthesis, Crystal Structure, and Molecular Orbital Calculations for (Cp*MoCl)2B3H7 (Cp* = Pentamethylcyclopentadienyl)","Journal of the American Chemical Society","1997","119","","11120","11121","10.1021/ja972685h","","","0.71073","MoKα","","0.0542","0.042","","0.1053","0.0944","","","","1.143","1.104","1.104","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117064","24.8856","0.0006","18.6662","0.0005","45.7427","0.0012","90","","93.545","0.001","90","","21207.7","0.9","159","2","293","2","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","[(Bis-(tetrra-n-butylammonium))-hexa((η4-1,5-cyclooctadienyl)iridium)- tetratungstate 4-acetonitrile solvate]","","","- C88 H156 Ir6 N6 O16 W4 -","- C88 H118.92 Ir6 N6 O16 W4 -","- C704 H951.36 Ir48 N48 O128 W32 -","8","2","","Yoshihito Hayashi; Frank Müller; Yin Lin; Susie M. Miller; Oren P. Anderson; Richard G. Finke","2CH3CN@(n-Bu4N)2[{Ir(1,5-COD)}6W4O16].2CH3CN: A Hybrid Inorganic-Organometallic, Flexible Cavity Host, Acetonitrile-Guest Complex Composed of a [W4O4]n+ Tetratungstate Cube and Six Polyoxoanion-Supported (1,5-COD)Ir+ Organometallic Groups","Journal of the American Chemical Society","1997","119","","11401","11407","10.1021/ja970336h","","","0.71073","MoKα","","0.1197","0.0655","","0.1811","0.134","","","","1.048","1.097","1.097","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117065","23.0436","0.0009","23.0436","0.0009","12.0745","0.0007","90","","90","","90","","6411.7","0.5","173","2","173","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Br1.89 H17.2 O8.6 -","- Br2.162 H32.2 O8.64 -","- Br43.24 H644 O172.8 -","20","1.25","","Konstantin A. Udachin; Gary D. Enright; Christopher I. Ratcliffe; John A. Ripmeester","Structure, Stoichiometry, and Morphology of Bromine Hydrate","Journal of the American Chemical Society","1997","119","","11481","11486","10.1021/ja971206b","","","0.71073","MoKα","","0.0747","0.0484","","","0.0747","0.0853","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117066","11.738","0.002","12.183","0.002","15.259","0.003","107.9","0.03","109.15","0.03","95.55","0.03","1913.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H58 F3 O2 P2 Pd -","- C38 H58 F3 O2 P2 Pd -","- C76 H116 F6 O4 P4 Pd2 -","2","1","","Manuela Ohff; Andreas Ohff; Milko E. van der Boom; David Milstein","Highly Active Pd(II) PCP-Type Catalysts for the Heck Reaction","Journal of the American Chemical Society","1997","119","","11687","11688","10.1021/ja9729692","","","0.71073","MoKα","","0.0944","0.0645","","0.1799","0.1523","","","","1.052","1.083","1.083","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117067","7.6495","0.0003","18.7062","0.0002","24.6703","0.0005","90","","90","","90","","3530.15","0.16","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34.73 H47.47 N4 O6.87 S -","- C34.736 H47.472 N4 O6.868 S -","- C138.944 H189.888 N16 O27.472 S4 -","4","1","","Susanne Krauthäuser; Laurie A. Christianson; Douglas R. Powell; Samuel H. Gellman","Antiparallel Sheet Formation in β-Peptide Foldamers: Effects of β-Amino Acid Substitution on Conformational Preference1","Journal of the American Chemical Society","1997","119","","11719","11720","10.1021/ja9730627","","","0.71073","MoKα","","0.1294","0.067","","0.1789","0.1466","","","","1.034","1.153","1.153","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117068","6.7552","0.0008","10.4554","0.0011","10.4455","0.0011","62.819","0.006","71.815","0.006","83.688","0.005","623.03","0.13","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 Cu0.5 N6 Na O9 -","- C6 H10 Cu0.5 N6 Na O9 -","- C12 H20 Cu N12 Na2 O18 -","2","1","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.0438","0.0319","","0.0779","0.0732","","","","1.113","1.154","1.154","","","","","has coordinates","270158","2021-10-29","11:41:33",""
"4117069","5.031","0.001","6.989","0.001","9.12","0.002","90.04","0.03","98.01","0.03","110.84","0.03","296.33","0.12","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cu N8 O6 -","- C6 H10 Cu N8 O6 -","- C6 H10 Cu N8 O6 -","1","0.5","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.0286","0.0265","","0.073","0.0705","","","","1.18","1.181","1.181","","","","","has coordinates","270158","2021-10-29","11:41:37",""
"4117070","7.143","0.001","8.683","0.002","11.602","0.002","102.12","0.03","101.24","0.03","106.22","0.03","650.4","0.3","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 Cu2 N18 O12 -","- C12 Cu2 N18 O12 -","- C12 Cu2 N18 O12 -","1","0.5","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.107","0.0813","","0.3366","0.2626","","","","1.121","1.029","1.029","","","","","has coordinates","270158","2021-10-29","11:41:47",""
"4117071","12.05","0.002","7.266","0.002","15.971","0.002","90","","90","","90","","1398.3","0.5","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H32 N20 Ni2 O12 -","- C12 H32 N20 Ni2 O12 -","- C24 H64 N40 Ni4 O24 -","2","0.125","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.0285","0.0265","","0.0756","0.0743","","","","1.158","1.171","1.171","","","","","has coordinates","270158","2021-10-29","11:41:47",""
"4117072","6.334","0.001","16.022","0.002","7.017","0.001","90","","114.13","0.02","90","","649.88","0.19","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 N10 Ni O6 -","- C6 H14 N8 Ni O8 -","- C12 H28 N16 Ni2 O16 -","2","0.5","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.0482","0.041","","0.1156","0.1025","","","","1.029","1.057","1.057","","","","","has coordinates","270158","2021-10-29","11:41:47",""
"4117073","11.645","0.001","13.44","0.002","16.561","0.002","102.051","0.008","97.585","0.009","113.132","0.009","2264.1","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H34 Cl6 Cu N3 O3 P2 -","- C41 H33 Cl6 Cu N3 O3 P2 -","- C82 H66 Cl12 Cu2 N6 O6 P4 -","2","1","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.1891","0.0685","","0.1491","0.1096","","","","1.078","1.203","1.203","","","","","has coordinates","270158","2021-10-29","11:41:47",""
"4117074","20.82","0.006","20.82","0.006","11.68","0.005","90","","90","","120","","4385","3","183","2","183","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H50 Mo N4 Si3 -","- C21 H50 Mo N4 Si3 -","- C126 H300 Mo6 N24 Si18 -","6","1","","Richard R. Schrock; Scott W. Seidel; Nadia C. Mösch-Zanetti; Keng-Yu Shih; Myra B. O'Donoghue; William M. Davis; William M. Reiff","Synthesis and Decomposition of Alkyl Complexes of Molybdenum(IV) That Contain a [(Me3SiNCH2CH2)3N]3- Ligand. Direct Detection of α-Elimination Processes That Are More than Six Orders of Magnitude Faster than β-Elimination Processes","Journal of the American Chemical Society","1997","119","","11876","11893","10.1021/ja970697x","","","0.71073","MoKα","","0.067","0.0569","","0.1702","0.1488","","","","1.113","1.142","1.142","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117075","8.972","0.003","17.308","0.004","15.398","0.003","90","","100.61","0.03","90","","2350.2","1.1","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H38 Mo N4 Si3 -","- C15 H38 Mo N4 Si3 -","- C60 H152 Mo4 N16 Si12 -","4","1","","Richard R. Schrock; Scott W. Seidel; Nadia C. Mösch-Zanetti; Keng-Yu Shih; Myra B. O'Donoghue; William M. Davis; William M. Reiff","Synthesis and Decomposition of Alkyl Complexes of Molybdenum(IV) That Contain a [(Me3SiNCH2CH2)3N]3- Ligand. Direct Detection of α-Elimination Processes That Are More than Six Orders of Magnitude Faster than β-Elimination Processes","Journal of the American Chemical Society","1997","119","","11876","11893","10.1021/ja970697x","","","0.71073","MoKα","","0.0242","0.0231","","0.0583","0.0572","","","","1.125","1.126","1.126","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117076","17.3528","0.0001","9.6851","0.0002","15.9445","0.0003","90","","110.621","0.001","90","","2508","0.07","183","2","183","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H42 Mo N4 Si3 -","- C16 H42 Mo N4 Si3 -","- C64 H168 Mo4 N16 Si12 -","4","1","","Richard R. Schrock; Scott W. Seidel; Nadia C. Mösch-Zanetti; Keng-Yu Shih; Myra B. O'Donoghue; William M. Davis; William M. Reiff","Synthesis and Decomposition of Alkyl Complexes of Molybdenum(IV) That Contain a [(Me3SiNCH2CH2)3N]3- Ligand. Direct Detection of α-Elimination Processes That Are More than Six Orders of Magnitude Faster than β-Elimination Processes","Journal of the American Chemical Society","1997","119","","11876","11893","10.1021/ja970697x","","","0.71073","MoKα","","0.0799","0.066","","0.1148","0.1096","","","","1.085","1.119","1.119","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117077","20.951","0.004","10.999","0.002","12.05","0.002","90","","90","","90","","2776.8","0.9","188","2","188","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C16 H39 F3 Mo N4 O3 S Si3 -","- C16 H39 F3 Mo N4 O3 S Si3 -","- C64 H156 F12 Mo4 N16 O12 S4 Si12 -","4","1","","Richard R. Schrock; Scott W. Seidel; Nadia C. Mösch-Zanetti; Keng-Yu Shih; Myra B. O'Donoghue; William M. Davis; William M. Reiff","Synthesis and Decomposition of Alkyl Complexes of Molybdenum(IV) That Contain a [(Me3SiNCH2CH2)3N]3- Ligand. Direct Detection of α-Elimination Processes That Are More than Six Orders of Magnitude Faster than β-Elimination Processes","Journal of the American Chemical Society","1997","119","","11876","11893","10.1021/ja970697x","","","0.71073","MoKα","","0.0644","0.0486","","0.1542","0.1068","","","","0.996","1.016","1.016","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117078","7.459","0.001","14.509","0.003","23.751","0.005","90","","90","","90","","2570.4","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-bis(m-bromophenyl)formamidine","","- C13 H10 Br2 N2 -","- C13 H10 Br2 N2 -","- C104 H80 Br16 N16 -","8","1","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.0819","0.0751","","0.2669","0.2377","","","","1.109","1.153","1.153","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117079","10.882","0.002","10.93","0.002","11.326","0.002","69.51","0.03","65.7","0.03","72.12","0.03","1128.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","2","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and 15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.0655","0.0455","","0.1383","0.1156","","","","0.928","0.947","0.947","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117080","9.925","0.002","10.232","0.002","14.98","0.003","93.12","0.03","106.8","0.03","107.76","0.03","1369.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","2","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and 15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.0701","0.061","","0.1774","0.1507","","","","1.057","1.082","1.082","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117081","6.099","0.001","10.519","0.002","10.122","0.002","93.17","0.03","96.34","0.03","80.99","0.03","637","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 N2 -","- C15 H16 N2 -","- C30 H32 N4 -","2","1","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.0874","0.0683","","0.1873","0.1725","","","","1.02","1.053","1.053","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117082","7.674","0.002","8.575","0.002","10.489","0.002","76.28","0.03","79.46","0.03","78.13","0.03","649.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C26 H20 N8 O8 -","2","1","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.1071","0.0533","","0.1776","0.1449","","","","0.988","1.165","1.165","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117083","15.335","0.005","20.333","0.007","23.562","0.005","90","","90","","90","","7347","4","296.2","","296.2","","","","","","","","prepared bis(2,2'-biphenylylene)sulfurane/XeF2/BF3.OEt2","6","P b c n","-P 2n 2ab","60","bis(2,2'-biphenylylene)sulfuranyl bis(tetrafluoroborate)","","","- C36 H24 B3 F12 O1.33 S1.5 -","- C36 H24 B2.5 F12.06 O1.34 S1.25 -","- C288 H192 B20 F96.48 O10.72 S10 -","8","1","","Soichi Sato; Hitomi Ameta; Ernst Horn; Ohgi Takahashi; Naomichi Furukawa","First Isolation and Molecular Structure of Bis(2,2'-biphenylylene)sulfuranyl Bis(tetrafluoroborate) [8-S-4(C4)]2+","Journal of the American Chemical Society","1997","119","","12374","12375","10.1021/ja971336k","","","0.7107","MoKα","","","0.0879","","","0.0833","","","","","2.096","2.096","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117084","3.8496","0.001","7.9577","0.0007","15.528","0.0018","90","","95.963","0.014","90","","473.11","0.14","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 Cl2 N2 S4 -","- C6 Cl2 N2 S4 -","- C12 Cl4 N4 S8 -","2","0.5","","T. M. Barclay; A. W. Cordes; J. D. Goddard; R. C. Mawhinney; R. T. Oakley; K. E. Preuss; R. W. Reed","Benzo-Bridged Bis(1,2,3-dithiazoles) and Their Selenium Analogues. Preparation, Molecular and Electronic Structures, and Redox Chemistry","Journal of the American Chemical Society","1997","119","","12136","12141","10.1021/ja972927d","","","0.7093","MolybdenumKα","","0.039","0.038","","0.032","0.032","","","","","1.2","1.2","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117085","7.2015","0.0006","7.2286","0.0009","11.2841","0.001","104.746","0.009","100.965","0.008","99.638","0.008","543.09","0.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C6 Al2 Cl10 N2 S4 -","- C6 Al2 Cl10 N2 S4 -","- C6 Al2 Cl10 N2 S4 -","1","0.5","","T. M. Barclay; A. W. Cordes; J. D. Goddard; R. C. Mawhinney; R. T. Oakley; K. E. Preuss; R. W. Reed","Benzo-Bridged Bis(1,2,3-dithiazoles) and Their Selenium Analogues. Preparation, Molecular and Electronic Structures, and Redox Chemistry","Journal of the American Chemical Society","1997","119","","12136","12141","10.1021/ja972927d","","","0.7093","MolybdenumKα","","0.041","0.041","","0.055","0.054","","","","","1.01","1.01","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117086","7.478","0.004","3.9733","0.0017","15.875","0.009","90","","90.33","0.04","90","","471.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 Cl2 N2 S2 Se2 -","- C6 Cl2 N2 S2 Se2 -","- C12 Cl4 N4 S4 Se4 -","2","0.5","","T. M. Barclay; A. W. Cordes; J. D. Goddard; R. C. Mawhinney; R. T. Oakley; K. E. Preuss; R. W. Reed","Benzo-Bridged Bis(1,2,3-dithiazoles) and Their Selenium Analogues. Preparation, Molecular and Electronic Structures, and Redox Chemistry","Journal of the American Chemical Society","1997","119","","12136","12141","10.1021/ja972927d","","","0.7093","MolybdenumK/a","","0.0889","0.0889","","0.2162","0.2122","","","","","1.07","1.07","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117087","9.1189","0.0013","12.0258","0.0019","9.8823","0.001","90","","92.368","0.01","90","","1082.8","0.3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 Al2 Cl10 N2 S2 Se2 -","- C6 Al2 Cl10 N2 S2 Se2 -","- C12 Al4 Cl20 N4 S4 Se4 -","2","0.5","","T. M. Barclay; A. W. Cordes; J. D. Goddard; R. C. Mawhinney; R. T. Oakley; K. E. Preuss; R. W. Reed","Benzo-Bridged Bis(1,2,3-dithiazoles) and Their Selenium Analogues. Preparation, Molecular and Electronic Structures, and Redox Chemistry","Journal of the American Chemical Society","1997","119","","12136","12141","10.1021/ja972927d","","","0.7093","MolybdenumKα","","0.057","0.057","","0.071","0.071","","","","","1.99","1.99","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117088","15.065","0.002","13.986","0.001","17.565","0.003","90","","101.59","0.007","90","","3625.5","0.8","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C75.71 H66.43 Cl5.43 N9 O16 Zn -","- C75.714 H66.428 Cl5.428 N9 O16 Zn -","- C151.428 H132.856 Cl10.856 N18 O32 Zn2 -","2","1","","Marinella Mazzanti; Jean-Claude Marchon; Maoyu Shang; W. Robert Scheidt; Songling Jia; John A. Shelnutt","A Pyridine-Sensitive Venus Flytrap Porphyrin","Journal of the American Chemical Society","1997","119","","12400","12401","10.1021/ja972947f","","","0.71073","MoKα","","0.0665","0.0551","","0.1385","0.1299","","","","1.045","1.053","1.053","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117089","20.687","0.001","13.872","0.001","12.332","0.001","90","","90","","90","","3538.9","0.4","130","2","130","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Zn(T-m-NPCP)(EtOH).1.02CH2Cl2","","- C71.03 H58.06 Cl2.05 N8 O17 Zn -","- C71.024 H56 Cl2.048 N8 O17 Zn -","- C142.048 H112 Cl4.096 N16 O34 Zn2 -","2","0.5","","Marinella Mazzanti; Jean-Claude Marchon; Maoyu Shang; W. Robert Scheidt; Songling Jia; John A. Shelnutt","A Pyridine-Sensitive Venus Flytrap Porphyrin","Journal of the American Chemical Society","1997","119","","12400","12401","10.1021/ja972947f","","","0.71073","MoKα","","0.0792","0.0669","","0.2004","0.1866","","","","1.073","1.082","1.082","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117090","14.132","0.003","18.519","0.007","12.177","0.005","102.13","0.03","95.35","0.03","95.6","0.02","3079.6","1.9","23","","","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H71 O4 P2 Rh -","- C76 H71 O4 P2 Rh -","- C152 H142 O8 P4 Rh2 -","2","1","","Kohtaro Osakada; Jun-chul Choi; Takakazu Yamamoto","π-Allylic Rhodium Complex Catalyzed Living Copolymerization of Arylallenes with Carbon Monoxide To Give Structurally Regulated Polyketones","Journal of the American Chemical Society","1997","119","","12390","12391","10.1021/ja971856f","","","0.71069","MoKα","","","0.062","","","","0.044","","","","","","3.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117091","10.843","0.002","11.223","0.005","11.654","0.003","99.64","0.03","96.75","0.02","111.05","0.03","1280.3","0.8","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H27 N -","- C34 H27 N -","- C68 H54 N2 -","2","1","","Diego Armesto; Olga Caballero; Ulises Amador","Novel Photorearrangements of 2-Aza-1,4-dienes To Produce Vinylaziridines and Cyclopropylimines","Journal of the American Chemical Society","1997","119","","12659","12660","10.1021/ja972054n","","","0.71069","Mo(Kalpha)","","","0.042","","","","0.04","","","","","","0.47","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117092","6.154","0.001","16.585","0.003","15.461","0.004","90","","91.44","0.01","90","","1577.5","0.6","23","","","","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 O4 -","- C38 H40 O4 -","- C76 H80 O8 -","2","0.5","","Kazuhisa Hiratani; Kazuyuki Kasuga; Midori Goto; Hirotaka Uzawa","Tandem Claisen Rearrangement: A Novel, One-Step Synthesis of Calixarene Analogues from Macrocyclic Polyethers","Journal of the American Chemical Society","1997","119","","12677","12678","10.1021/ja9722887","","","1.5418","CuKα","","","0.066","","","0.08","","","","","2.8","2.8","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117093","11.018","0.002","11.137","0.002","12.817","0.002","109.31","0.01","96.7","0.01","116.34","0.01","1264","0.4","23","","","","","","","","","","synthesis","3","P -1","-P 1","2","","","","- C54 H64 O12 -","- C54 H64 O12 -","- C54 H64 O12 -","1","0.5","","Kazuhisa Hiratani; Kazuyuki Kasuga; Midori Goto; Hirotaka Uzawa","Tandem Claisen Rearrangement: A Novel, One-Step Synthesis of Calixarene Analogues from Macrocyclic Polyethers","Journal of the American Chemical Society","1997","119","","12677","12678","10.1021/ja9722887","","","0.71073","MoKα","","","0.0613","","","0.1025","","","","","1.251","1.251","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117094","6.551","0.003","5.651","0.003","7.347","0.004","90","","90","","90","","272","0.2","123","2","123","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Formic acid - hydrogen fluoride (1/1)","","- C H3 F O2 -","- C H3 F O2 -","- C4 H12 F4 O8 -","4","0.5","","Dirk Wiechert; Dietrich Mootz; Thomas Dahlems","The Formic Acid 1D Array with H Bonds All Reversed: Structure of a Cocrystal with Hydrogen Fluoride1,2","Journal of the American Chemical Society","1997","119","","12665","12666","10.1021/ja972337f","","","0.71073","MoKα","","0.045","0.0386","","0.1281","0.1139","","","","1.203","1.165","1.165","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117095","11.5996","0.0002","7.0079","0.0002","28.4827","0.0006","90","","98.176","0.001","90","","2291.79","0.09","173","2","173","2","","","","","","","Prof. A. Sykes - USD","4","P 1 21/n 1","-P 2yn","14","97139","","","- C22 H25 Cl O12 -","- C22 H25 Cl O12 -","- C88 H100 Cl4 O48 -","4","1","","Victor G. Young; Heidi L. Quiring; Andrew G. Sykes","A Luminescent Sensor Responsive to Common Oxoacids: X-ray Crystal Structure of [H3O.1,8- Oxybis(ethyleneoxyethyleneoxy)anthracene-9,10-dione]ClO4","Journal of the American Chemical Society","1997","119","","12477","12480","10.1021/ja9727124","","","0.71073","MoKα","","0.0773","0.0517","","0.1407","0.1244","","","","1.056","1.138","1.138","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117096","15.627","0.002","10.872","0.001","16.462","0.002","90","","90","","90","","2796.8","0.6","213","2","213","2","","","","","","","Compound was prepared by stirring a suspension of [Bu4N]2[Re2Cl8] in benzene with an excess of PMe3 for 6 hours at room temperature. Single crystals were obtained by slow diffusion of isomeric hexanes into dichloromethane solution.","5","P b c a","-P 2ac 2ab","61","Bis(μ2-chloro)-tetrachloro-tetrakis(trimethylphosphine)- -di-rhenium (III)","Bis((μ2-chloro)-bis(dichloro-bis(trimethylphosphine))-di- rhenium (III)","","- C12 H36 Cl6 P4 Re2 -","- C12 H36 Cl6 P4 Re2 -","- C48 H144 Cl24 P16 Re8 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride Phosphine Complexes of Dirhenium Cores. 1. New Reactions and Unprecedented Structures Involving Trimethylphosphine","Journal of the American Chemical Society","1997","119","","12541","12549","10.1021/ja9733245","","","0.71073","MoKα","","0.0311","0.0256","","0.0728","0.0591","","","","1.16","1.159","1.159","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117097","9.101","0.002","14.526","0.003","9.3519","0.0009","90","","91.24","0.01","90","","1236","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tetrachloro-tetrakis(trimethylphosphine)-di-rhenium (II)","Bis(dichloro-bis(trimethylphosphine))-di-rhenium (II)","","- C12 H36 Cl4 P4 Re2 -","- C12 H36 Cl4 P4 Re2 -","- C24 H72 Cl8 P8 Re4 -","2","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride Phosphine Complexes of Dirhenium Cores. 1. New Reactions and Unprecedented Structures Involving Trimethylphosphine","Journal of the American Chemical Society","1997","119","","12541","12549","10.1021/ja9733245","","","0.71073","MoKα","","0.0466","0.0377","","0.1042","0.0967","","","","1.081","1.117","1.117","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117098","12.3336","0.0009","12.3336","0.0009","12.3336","0.0009","90","","90","","90","","1876.2","0.2","213","2","213","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Hexachloro-bis(trimethylphosphine)-di-rhenium (III)","Bis(trichloro-trimethylphosphine)-di-rhenium (III)","","- C6 H18 Cl6 P2 Re2 -","- C6 H18 Cl6 P2 Re1.98 -","- C24 H72 Cl24 P8 Re7.92 -","4","0.166667","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride Phosphine Complexes of Dirhenium Cores. 1. New Reactions and Unprecedented Structures Involving Trimethylphosphine","Journal of the American Chemical Society","1997","119","","12541","12549","10.1021/ja9733245","","","0.71073","MoKα","","0.0237","0.0237","","0.0469","0.0469","","","","1.24","1.241","1.241","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117099","9.7929","0.0008","20.9698","0.0015","8.8836","0.0006","101.143","0.003","102.256","0.004","86.064","0.002","1748.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Tetrakis(triphenylphosphine oxide)-diethynylbenzene-bis(water) clathrate","","","- C82 H70 O6 P4 -","- C82 H70 O6 P4 -","- C82 H70 O6 P4 -","1","0.5","","Benson M. Kariuki; Kenneth D. M. Harris; Douglas Philp; James M. A. Robinson","A Triphenylphoshine Oxide-Water Aggregate Facilitates an Exceptionally Short C-H...O Hydrogen Bond","Journal of the American Chemical Society","1997","119","","12679","12680","10.1021/ja973506z","","","0.71069","MoKα","","0.0514","0.048","","0.1141","0.1115","","","","1.126","1.135","1.135","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4123933","27.96","","17.877","","32.13","","90","","90.28","","90","","16059.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(H3 O)12 ((H2 O) Mo O2.5 (Mo36 O108 (N O)4 (H2 O)16) O2.5 Mo (H2 O)) (H2 O)44","","- H160 Mo38 N4 O191 -","- Mo38 N4 O191 -","- Mo152 N16 O764 -","4","0.5","","Zhang, S.-W.; Wei, Y.-G.; Yu, Q.; Shao, M.-C.; Tang, Y.-Q.","Toward quantum line-self-assembly process of nanomolecular building blocks leading to a novel one-dimensional nanomolecular polymer: single-crystal X-ray structure of ((H3 O)(+)12 ((H2 O) Mo O2.5 (Mo 36 O108 (N O)4 (H2 O)16) O2.5 Mo (H2 O))(12-)","Journal of the American Chemical Society","1997","119","","6440","6441","","","","","","","","","","","","","","","","","","","","","","has coordinates","141208","2020-10-21","18:00:00",""
"5000279","8.574","0.001","11.434","0.001","12.702","0.001","114.14","0.01","92.33","0.01","103.39","0.01","1092.53","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O7 Se -","- C22 H22 N2 O7 Se -","- C44 H44 N4 O14 Se2 -","2","1","","Burton, Jonathan W.; Clark, J. Stephen; Derrer, Sam; Stork, Thomas C.; Bendall, Justin G.; Holmes, Andrew B.","Synthesis of Medium Ring Ethers. 5. The Synthesis of (+)-Laurencin","Journal of the American Chemical Society","1997","119","32","7483","7498","10.1021/ja9709132","","","","","","","","","","","","","","","","","","","","","has coordinates","277867","2022-09-15","08:51:10",""
"5000376","18.744","0.003","17.87","0.003","18.608","0.003","90","","95.48","0.01","90","","6204.4","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H59 B F25 O P2 Ru -","- C57 H59 B F25 O P2 Ru -","- C228 H236 B4 F100 O4 P8 Ru4 -","4","0.5","","Huang, Dejian; Huffman, John C.; Bollinger, John C.; Eisenstein, Odile; Caulton, Kenneth G.","The First η^2^-CH~2~Cl~2~ Adduct of Ru(II):[RuH(η^2^-CH~2~Cl~2~)(CO)(P^t^Bu~2~Me)~2~][BAr'~4~] (Ar' = 3,5-C~6~H~3~(CF~3~)~2~) and Its RuH(CO)(P^t^Bu~2~Me)~2~ + Precursor","Journal of the American Chemical Society","1997","119","31","7398","7399","10.1021/ja970240n","","","0.71073","MoKα","","0.1632","0.0789","","0.155","0.13","","","","1.264","1.533","1.533","","","","","has coordinates,has disorder","175474","2020-10-21","18:00:00",""