# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T04:34:53+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 = 141 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
"4127220","28.951","0.003","6.0992","0.0006","11.9821","0.0012","90","","92.266","0.002","90","","2114.1","0.4","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Ag Bi I8 N4 S4 -","- C24 H36 Ag Bi I8 N4 S4 -","- C48 H72 Ag2 Bi2 I16 N8 S8 -","2","0.25","","Jana, Manoj K.; Janke, Svenja M.; Dirkes, David J.; Dovletgeldi, Seyitliyev; Liu, Chi; Qin, Xixi; Gundogdu, Kenan; You, Wei; Blum, Volker; Mitzi, David B.","Direct-Bandgap 2D Silver-Bismuth Iodide Double Perovskite: The Structure-Directing Influence of an Oligothiophene Spacer Cation.","Journal of the American Chemical Society","2019","141","19","7955","7964","10.1021/jacs.9b02909","","","0.71073","MoKα","","0.0665","0.049","","","0.1339","0.1484","","","","","","1.085","","","","has coordinates,has disorder","223198","2020-10-21","18:00:00",""
"4127221","29.3654","0.0014","6.1473","0.0003","12.0494","0.0006","90","","92.7321","0.0012","90","","2172.66","0.18","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Ag Bi I8 N4 S4 -","- C24 H36 Ag Bi I8 N4 S4 -","- C48 H72 Ag2 Bi2 I16 N8 S8 -","2","0.25","","Jana, Manoj K.; Janke, Svenja M.; Dirkes, David J.; Dovletgeldi, Seyitliyev; Liu, Chi; Qin, Xixi; Gundogdu, Kenan; You, Wei; Blum, Volker; Mitzi, David B.","Direct-Bandgap 2D Silver-Bismuth Iodide Double Perovskite: The Structure-Directing Influence of an Oligothiophene Spacer Cation.","Journal of the American Chemical Society","2019","141","19","7955","7964","10.1021/jacs.9b02909","","","0.71073","MoKα","","0.0662","0.0555","","","0.1634","0.1778","","","","","","1.097","","","","has coordinates,has disorder","223198","2020-10-21","18:00:00",""
"4127222","9.1723","0.0006","13.1708","0.0009","20.2598","0.0014","90","","90","","90","","2447.5","0.3","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 O8 -","- C25 H40 O8 -","- C100 H160 O32 -","4","1","","Turlik, Aneta; Chen, Yifeng; Scruse, Anthony C.; Newhouse, Timothy R.","Convergent Total Synthesis of Principinol D, a Rearranged Kaurane Diterpenoid.","Journal of the American Chemical Society","2019","141","20","8088","8092","10.1021/jacs.9b03751","","","1.54178","CuKα","","0.028","0.0253","","","0.0654","0.0665","","","","","","1.054","","","","has coordinates","223188","2020-10-21","18:00:00",""
"4127223","16.497","0.002","8.9713","0.001","20.61","0.002","90","","105.159","0.004","90","","2944.1","0.6","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C34 H52 N P -","- C34 H52 N P -","- C136 H208 N4 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Kim, Youngsuk; Stephan, Douglas W.","Reversible Intramolecular Cycloaddition of Phosphaalkene to an Arene Ring.","Journal of the American Chemical Society","2019","141","20","8083","8087","10.1021/jacs.9b03721","","","0.71073","MoKα","","0.0976","0.0515","","","0.1107","0.1269","","","","","","1.075","","","","has coordinates","223189","2020-10-21","18:00:00",""
"4127224","11.104","0.019","15.85","0.02","14.68","0.02","90","","95.94","0.05","90","","2570","6","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 N P -","- C28 H46 N P -","- C112 H184 N4 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Kim, Youngsuk; Stephan, Douglas W.","Reversible Intramolecular Cycloaddition of Phosphaalkene to an Arene Ring.","Journal of the American Chemical Society","2019","141","20","8083","8087","10.1021/jacs.9b03721","","","0.71073","MoKα","","0.0827","0.0614","","","0.1551","0.1703","","","","","","1.079","","","","has coordinates","223189","2020-10-21","18:00:00",""
"4127225","10.144","0.0005","16.2799","0.0007","20.1295","0.0007","90","","104.252","0.002","90","","3221.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H59 N P S -","- C36.5 H59 N P S -","- C146 H236 N4 P4 S4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Kim, Youngsuk; Stephan, Douglas W.","Reversible Intramolecular Cycloaddition of Phosphaalkene to an Arene Ring.","Journal of the American Chemical Society","2019","141","20","8083","8087","10.1021/jacs.9b03721","","","0.71073","MoKα","","0.1178","0.0615","","","0.1441","0.1705","","","","","","1.032","","","","has coordinates,has disorder","223189","2020-10-21","18:00:00",""
"4127226","11.096","0.007","11.353","0.009","16.047","0.011","76.64","0.02","69.873","0.014","79.271","0.019","1834","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H57 F4 N O3 P S -","- C39 H57 F4 N O3 P S -","- C78 H114 F8 N2 O6 P2 S2 -","2","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Kim, Youngsuk; Stephan, Douglas W.","Reversible Intramolecular Cycloaddition of Phosphaalkene to an Arene Ring.","Journal of the American Chemical Society","2019","141","20","8083","8087","10.1021/jacs.9b03721","","","0.71073","MoKα","","0.0786","0.0496","","","0.116","0.1285","","","","","","1.054","","","","has coordinates,has disorder","223189","2020-10-21","18:00:00",""
"4127227","18.4913","0.0002","20.3554","0.0003","24.9867","0.0003","90","","90","","90","","9404.9","0.2","170","2","170.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H73 Co N3 O -","- C52 H73 Co N3 O -","- C416 H584 Co8 N24 O8 -","8","1","","Wang, Dongyang; Leng, Xuebing; Ye, Shengfa; Deng, Liang","Substrate Redox Non-innocence Inducing Stepwise Oxidative Addition Reaction: Nitrosoarene C-N Bond Cleavage on Low-Coordinate Cobalt(0) Species.","Journal of the American Chemical Society","2019","141","19","7731","7735","10.1021/jacs.9b03726","","","1.34139","GaKα","","0.0792","0.0683","","","0.1888","0.1984","","","","","","1.054","","","","has coordinates","223199","2020-10-21","18:00:00",""
"4127228","28.843","0.0007","11.3664","0.0002","20.0835","0.0005","90","","101.489","0.002","90","","6452.3","0.3","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H94 Co N4 O2 -","- C63 H94 Co N4 O2 -","- C252 H376 Co4 N16 O8 -","4","1","","Wang, Dongyang; Leng, Xuebing; Ye, Shengfa; Deng, Liang","Substrate Redox Non-innocence Inducing Stepwise Oxidative Addition Reaction: Nitrosoarene C-N Bond Cleavage on Low-Coordinate Cobalt(0) Species.","Journal of the American Chemical Society","2019","141","19","7731","7735","10.1021/jacs.9b03726","","","1.34139","GaKα","","0.0862","0.0566","","","0.1444","0.1586","","","","","","1.074","","","","has coordinates","223199","2020-10-21","18:00:00",""
"4127229","15.999","0.003","17.341","0.004","25.848","0.005","90","","106.54","0.03","90","","6874","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C81 H70 B F4 Fe2 N5.5 O0.5 S4 -","- C81 H70 B F4 Fe2 N5.5 O0.5 S4 -","- C324 H280 B4 F16 Fe8 N22 O2 S16 -","4","1","","Wang, Lianke; Gennari, Marcello; Cantú Reinhard, Fabián G; Gutiérrez, Javier; Morozan, Adina; Philouze, Christian; Demeshko, Serhiy; Artero, Vincent; Meyer, Franc; de Visser, Sam P.; Duboc, Carole","A Non-Heme Diiron Complex for (Electro)catalytic Reduction of Dioxygen: Tuning the Selectivity through Electron Delivery.","Journal of the American Chemical Society","2019","141","20","8244","8253","10.1021/jacs.9b02011","","x-ray","0.71073","MoKα","","0.062","0.044","","","0.099","0.1121","","","","","","1.144","","","","has coordinates,has disorder","223190","2020-10-21","18:00:00",""
"4127230","13.8502","0.0002","16.6927","0.0003","23.0193","0.0003","90.251","0.001","90.387","0.001","112.097","0.002","4930.84","0.15","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C94 H150 B2 K2 N8 O14 -","- C94 H150 B2 K2 N8 O14 -","- C188 H300 B4 K4 N16 O28 -","2","2","","Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon","An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond.","Journal of the American Chemical Society","2019","141","20","8073","8077","10.1021/jacs.9b03600","","","1.54184","CuKα","","0.0644","0.0551","","","0.1437","0.1516","","","","","","1.041","","","","has coordinates,has disorder","223191","2020-10-21","18:00:00",""
"4127231","13.0099","0.0003","15.9376","0.0004","16.4118","0.0004","80.367","0.002","86.833","0.002","86.675","0.002","3345.71","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H96 B K N4 O6 S -","- C68 H96 B K N4 O6 S -","- C136 H192 B2 K2 N8 O12 S2 -","2","1","","Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon","An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond.","Journal of the American Chemical Society","2019","141","20","8073","8077","10.1021/jacs.9b03600","","","1.54184","CuKα","","0.0429","0.0386","","","0.101","0.1051","","","","","","1.029","","","","has coordinates,has disorder","223191","2020-10-21","18:00:00",""
"4127232","15.5333","0.0003","16.3399","0.0003","27.911","0.0007","85.492","0.002","89.509","0.002","61.864","0.002","6224.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C125 H165 B4 K4 N8 S4 -","- C125 H165 B4 K4 N8 S4 -","- C250 H330 B8 K8 N16 S8 -","2","1","","Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon","An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond.","Journal of the American Chemical Society","2019","141","20","8073","8077","10.1021/jacs.9b03600","","","1.54184","CuKα","","0.09","0.068","","","0.1853","0.2101","","","","","","1.016","","","","has coordinates,has disorder","223191","2020-10-21","18:00:00",""
"4127233","11.8476","0.0002","13.6268","0.0002","19.9995","0.0003","90","","94.496","0.001","90","","3218.88","0.09","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 B F3 N3 O3 S -","- C32 H41 B F3 N3 O3 S -","- C128 H164 B4 F12 N12 O12 S4 -","4","1","","Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon","An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond.","Journal of the American Chemical Society","2019","141","20","8073","8077","10.1021/jacs.9b03600","","","1.54184","CuKα","","0.052","0.0395","","","0.0978","0.1065","","","","","","1.029","","","","has coordinates,has disorder","223191","2020-10-21","18:00:00",""
"4127234","12.2444","0.0001","15.9465","0.0002","30.3954","0.0003","90","","92.74","0.001","90","","5928.08","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H86 B K N6 O7 -","- C59 H86 B K N6 O7 -","- C236 H344 B4 K4 N24 O28 -","4","1","","Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon","An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond.","Journal of the American Chemical Society","2019","141","20","8073","8077","10.1021/jacs.9b03600","","","1.54184","CuKα","","0.0507","0.0422","","","0.1084","0.1156","","","","","","1.03","","","","has coordinates","223191","2020-10-21","18:00:00",""
"4127235","6.008","0.0015","6.008","0.0015","46.843","0.015","90","","90","","90","","1690.8","0.8","390","2","390","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C8 H32 Br10 N4 Pb3 -","- C8 H32.96 Br10 N4 Pb3 -","- C16 H65.92 Br20 N8 Pb6 -","2","0.0625","","Wang, Sasa; Liu, Xitao; Li, Lina; Ji, Chengmin; Sun, Zhihua; Wu, Zhenyue; Hong, Maochun; Luo, Junhua","An Unprecedented Biaxial Trilayered Hybrid Perovskite Ferroelectric with Directionally Tunable Photovoltaic Effects.","Journal of the American Chemical Society","2019","141","19","7693","7697","10.1021/jacs.9b02558","","","0.71073","MoKα","","0.0623","0.0475","","","0.1375","0.1518","","","","","","1.078","","","","has coordinates","223200","2020-10-21","18:00:00",""
"4127236","8.4247","0.0003","46.305","0.003","8.4256","0.0003","90","","90","","90","","3286.9","0.3","280","2","280","2","","","","","","","","5","C 2 e b","C -2ac 2","41","","","","- C8 H32 Br10 N4 Pb3 -","- C8 H32 Br10 N4 Pb3 -","- C32 H128 Br40 N16 Pb12 -","4","0.5","","Wang, Sasa; Liu, Xitao; Li, Lina; Ji, Chengmin; Sun, Zhihua; Wu, Zhenyue; Hong, Maochun; Luo, Junhua","An Unprecedented Biaxial Trilayered Hybrid Perovskite Ferroelectric with Directionally Tunable Photovoltaic Effects.","Journal of the American Chemical Society","2019","141","19","7693","7697","10.1021/jacs.9b02558","","","0.71073","MoKα","","0.1602","0.1094","","","0.1926","0.2189","","","","","","1.113","","","","has coordinates","223200","2020-10-21","18:00:00",""
"4127237","19.8397","0.0006","16.8728","0.0005","19.6562","0.0007","90","","90","","90","","6579.9","0.4","193","","","","","","","","","","see text","2","P b c n","-P 2n 2ab","60","","","","- C78 H48 -","- C78 H48 -","- C312 H192 -","4","0.5","","Xu, Kun; Urgel, José I; Eimre, Kristjan; Di Giovannantonio, Marco; Keerthi, Ashok; Komber, Hartmut; Wang, Shiyong; Narita, Akimitsu; Berger, Reinhard; Ruffieux, Pascal; Pignedoli, Carlo A.; Liu, Junzhi; Müllen, Klaus; Fasel, Roman; Feng, Xinliang","On-Surface Synthesis of a Nonplanar Porous Nanographene.","Journal of the American Chemical Society","2019","141","19","7726","7730","10.1021/jacs.9b03554","","x-ray","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","223201","2020-10-21","18:00:00",""
"4127238","19.107","0.0014","12.1469","0.0008","17.3938","0.0011","90","","90","","90","","4036.9","0.5","130","2","130","2","","","","","","","","7","P n a 21","P 2c -2n","33","","2a","","- C39 H41 F6 Mo N3 O7 S2 -","- C39 H41 F6 Mo N3 O7 S2 -","- C156 H164 F24 Mo4 N12 O28 S8 -","4","1","","Herz, Katharina; Podewitz, Maren; Stöhr, Laura; Wang, Dongren; Frey, Wolfgang; Liedl, Klaus R.; Sen, Suman; Buchmeiser, Michael R.","Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes.","Journal of the American Chemical Society","2019","141","20","8264","8276","10.1021/jacs.9b02092","","","0.71073","MoKα","","0.0576","0.0353","","","0.0587","0.063","","","","","","1.02","","","","has coordinates","223203","2020-10-21","18:00:00",""
"4127239","22.397","0.0012","18.0764","0.001","11.9381","0.0007","90","","90","","90","","4833.2","0.5","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","5","","- C44 H51 Cl2 F6 Mo N3 O6 S2 -","- C44 H51 Cl2 F6 Mo N3 O6 S2 -","- C176 H204 Cl8 F24 Mo4 N12 O24 S8 -","4","1","","Herz, Katharina; Podewitz, Maren; Stöhr, Laura; Wang, Dongren; Frey, Wolfgang; Liedl, Klaus R.; Sen, Suman; Buchmeiser, Michael R.","Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes.","Journal of the American Chemical Society","2019","141","20","8264","8276","10.1021/jacs.9b02092","","","0.71073","MoKα","","0.0519","0.0437","","","0.1142","0.1202","","","","","","1.042","","","","has coordinates","223203","2020-10-21","18:00:00",""
"4127240","12.6134","0.0007","13.4666","0.0007","16.8383","0.001","85.916","0.003","73.747","0.002","75.819","0.002","2662.2","0.3","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","6a","","- C46 H47 Cl2 F8 Mo N3 O5 S -","- C46 H47 Cl2 F8 Mo N3 O5 S -","- C92 H94 Cl4 F16 Mo2 N6 O10 S2 -","2","1","","Herz, Katharina; Podewitz, Maren; Stöhr, Laura; Wang, Dongren; Frey, Wolfgang; Liedl, Klaus R.; Sen, Suman; Buchmeiser, Michael R.","Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes.","Journal of the American Chemical Society","2019","141","20","8264","8276","10.1021/jacs.9b02092","","","0.71073","MoKα","","0.0503","0.0357","","","0.0889","0.0944","","","","","","1.034","","","","has coordinates","223203","2020-10-21","18:00:00",""
"4127241","15.1332","0.0018","15.1","0.0018","6.5509","0.0008","90","","90","","90","","1497","0.3","173","2","173","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","0.5","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.0639","0.0388","","","0.084","0.0969","","","","","","1.032","","","","has coordinates,has disorder","223192","2020-10-21","18:00:00",""
"4127242","19.898","0.004","20.674","0.004","7.2318","0.0013","90","","91.89","0.002","90","","2973.3","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C128 H120 N24 O32 -","8","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.1196","0.0634","","","0.1567","0.1993","","","","","","0.968","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127243","7.3582","0.0008","9.6426","0.001","23.096","0.002","90","","94.383","0.001","90","","1633.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.0884","0.06","","","0.1567","0.1842","","","","","","1.059","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127244","16.43","0.002","6.9255","0.0011","15.304","0.002","90","","92.064","0.002","90","","1740.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C72 H80 N16 O16 -","4","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.0993","0.0524","","","0.1183","0.1466","","","","","","1.025","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127245","15.4094","0.0002","6.7356","0.0001","15.5716","0.0002","90","","109.499","0.001","90","","1523.51","0.04","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C64 H60 N12 O16 -","4","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127246","17.0954","0.0016","12.4698","0.0012","7.1665","0.0007","90","","98.801","0.001","90","","1509.7","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.0455","0.0392","","","0.0919","0.0977","","","","","","1.054","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127247","21.686","0.005","17.836","0.004","7.2977","0.0018","90","","90","","90","","2822.7","1.1","","","","","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127249","31.1172","0.0002","59.4899","0.0003","49.3791","0.0006","90","","92.154","0.001","90","","91344","1.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C317.33 H285.48 B34.92 Cs0.36 F2.7 Fe4 N37.58 O8.8 S0.9 -","- C314.15 H285.475 B38.1 Cs0.3645 F2.7 Fe4 N37.575 O8.8 S0.9 -","- C2513.2 H2283.8 B304.8 Cs2.916 F21.6 Fe32 N300.6 O70.4 S7.2 -","8","2","","Zhang, Dawei; Ronson, Tanya K.; Greenfield, Jake L.; Brotin, Thierry; Berthault, Patrick; Léonce, Estelle; Zhu, Jun-Long; Xu, Lin; Nitschke, Jonathan R.","Enantiopure [Cs<sup>+</sup>/Xe⊂Cryptophane]⊂Fe<sup>II</sup><sub>4</sub>L<sub>4</sub> Hierarchical Superstructures.","Journal of the American Chemical Society","2019","141","20","8339","8345","10.1021/jacs.9b02866","","","0.6889","Synchrotron","","0.1864","0.1183","","","0.3178","0.3703","","","","","","1.096","","","","has coordinates,has disorder","223193","2020-10-21","18:00:00",""
"4127250","19.568","0.003","13.466","0.0019","36.178","0.005","90","","90","","90","","9533","2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40.67 H22.33 B12 F20 N4 -","- C40.675 H22.325 B12 F20 N4 -","- C325.4 H178.6 B96 F160 N32 -","8","2","","Liu, Yizhen; Su, Bo; Dong, Weishi; Li, Zhen Hua; Wang, Huadong","Structural Characterization of a Boron(III) η<sup>2</sup>-σ-Silane-Complex.","Journal of the American Chemical Society","2019","141","20","8358","8363","10.1021/jacs.9b03213","","","0.71073","MoKα","","0.1082","0.0623","","","0.1549","0.184","","","","","","0.932","","","","has coordinates","223195","2020-10-21","18:00:00",""
"4127251","11.1361","0.0003","19.7611","0.0005","23.9982","0.0006","90","","93.821","0.001","90","","5269.3","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H45 B12 Br F20 N2 Si -","- C45 H45 B12 Br F20 N2 Si -","- C180 H180 B48 Br4 F80 N8 Si4 -","4","1","","Liu, Yizhen; Su, Bo; Dong, Weishi; Li, Zhen Hua; Wang, Huadong","Structural Characterization of a Boron(III) η<sup>2</sup>-σ-Silane-Complex.","Journal of the American Chemical Society","2019","141","20","8358","8363","10.1021/jacs.9b03213","","","1.34138","GaKα","","0.1215","0.0954","","","0.2789","0.305","","","","","","1.041","","","","has coordinates","223195","2020-10-21","18:00:00",""
"4127252","12.895","0.004","13.313","0.005","9.993","0.003","90","","90","","90","","1715.5","1","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H25 B11 N2 -","- C9 H25 B11 N2 -","- C36 H100 B44 N8 -","4","0.5","","Liu, Yizhen; Su, Bo; Dong, Weishi; Li, Zhen Hua; Wang, Huadong","Structural Characterization of a Boron(III) η<sup>2</sup>-σ-Silane-Complex.","Journal of the American Chemical Society","2019","141","20","8358","8363","10.1021/jacs.9b03213","","","0.71073","MoKα","","0.1059","0.0927","","","0.2138","0.2206","","","","","","1.14","","","","has coordinates","223195","2020-10-21","18:00:00",""
"4127253","15.9671","0.0016","22.041","0.002","18.9148","0.0018","90","","106.561","0.002","90","","6380.6","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H33.5 Br0.5 Co0.5 N -","- C42 H33.5 Br0.5 Co0.5 N -","- C336 H268 Br4 Co4 N8 -","8","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.1577","0.0887","","","0.1894","0.2186","","","","","","1.112","","","","has coordinates,has disorder","223202","2020-10-21","18:00:00",""
"4127254","12.594","0.009","14.092","0.01","20.413","0.016","75.348","0.011","84.047","0.01","64.97","0.012","3176","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H67 Co N2 -","- C84 H67 Co N2 -","- C168 H134 Co2 N4 -","2","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.1082","0.0849","","","0.2532","0.2734","","","","","","1.042","","","","has coordinates,has disorder","223202","2020-10-21","18:00:00",""
"4127255","11.9404","0.001","16.2194","0.0013","16.2288","0.0014","87.845","0.002","87.553","0.002","72.424","0.002","2992.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H70 Co N3 -","- C79 H70 Co N3 -","- C158 H140 Co2 N6 -","2","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.1455","0.0725","","","0.138","0.1628","","","","","","1.022","","","","has coordinates,has disorder","223202","2020-10-21","18:00:00",""
"4127256","12.0205","0.0016","16.024","0.002","16.411","0.002","87.612","0.003","72.643","0.003","88.139","0.003","3013.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H68 Co N3 -","- C74 H68 Co N3 -","- C148 H136 Co2 N6 -","2","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.2465","0.0895","","","0.1843","0.2349","","","","","","0.956","","","","has coordinates","223202","2020-10-21","18:00:00",""
"4127257","16.068","0.001","16.5966","0.001","24.9849","0.0015","74.791","0.002","73.522","0.002","85.35","0.002","6165.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C166 H144 Co2 N6 -","- C166 H144 Co2 N6 -","- C332 H288 Co4 N12 -","2","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.2475","0.1113","","","0.1773","0.2265","","","","","","1.01","","","","has coordinates,has disorder","223202","2020-10-21","18:00:00",""
"4127258","12.7287","0.0007","16.217","0.0009","33.8667","0.0019","90","","95.843","0.002","90","","6954.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H79 Co N6 -","- C80 H79 Co N6 -","- C320 H316 Co4 N24 -","4","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.0733","0.0489","","","0.1044","0.1166","","","","","","1.062","","","","has coordinates","223202","2020-10-21","18:00:00",""
"4127259","13.4875","0.0007","16.1414","0.0008","33.4198","0.0017","90","","98.765","0.002","90","","7190.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H97 Co N6 -","- C88 H97 Co N6 -","- C352 H388 Co4 N24 -","4","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.129","0.0734","","","0.1422","0.1676","","","","","","1.066","","","","has coordinates,has disorder","223202","2020-10-21","18:00:00",""
"4127260","47.858","0.01","18.405","0.004","18.553","0.004","90","","103.82","0.03","90","","15869","6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C86 H79 Co N6 -","- C86 H79 Co N6 -","- C688 H632 Co8 N48 -","8","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.0638","0.044","","","0.0968","0.1053","","","","","","1.048","","","","has coordinates","223202","2020-10-21","18:00:00",""
"4127262","13.3439","0.0011","13.9184","0.0011","25.1806","0.0019","93.843","0.005","90.086","0.005","109.902","0.005","4386","0.6","100","2","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H126 B Br Fe O6 P3 -","- C96 H126 B Br Fe O6 P3 -","- C192 H252 B2 Br2 Fe2 O12 P6 -","2","1","","Nesbit, Mark A.; Oyala, Paul H.; Peters, Jonas C.","Characterization of the Earliest Intermediate of Fe-N<sub>2</sub> Protonation: CW and Pulse EPR Detection of an Fe-NNH Species and Its Evolution to Fe-NNH<sub>2</sub><sup/>.","Journal of the American Chemical Society","2019","141","20","8116","8127","10.1021/jacs.8b12082","","","1.54178","CuKα","","0.1526","0.1122","","","0.2578","0.2874","","","","","","1.05","","","","has coordinates","223194","2020-10-21","18:00:00",""
"4127263","11.8779","0.0008","14.7827","0.0009","27.0968","0.0017","86.055","0.003","81.569","0.003","89.245","0.003","4695.3","0.5","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C101 H138 B Fe N2 O6 P3 -","- C101 H138 B Fe N2 O6 P3 -","- C202 H276 B2 Fe2 N4 O12 P6 -","2","1","","Nesbit, Mark A.; Oyala, Paul H.; Peters, Jonas C.","Characterization of the Earliest Intermediate of Fe-N<sub>2</sub> Protonation: CW and Pulse EPR Detection of an Fe-NNH Species and Its Evolution to Fe-NNH<sub>2</sub><sup/>.","Journal of the American Chemical Society","2019","141","20","8116","8127","10.1021/jacs.8b12082","","","0.71073","MoKα","","0.1263","0.0695","","","0.1409","0.1623","","","","","","1.038","","","","has coordinates","223194","2020-10-21","18:00:00",""
"4127264","7.9408","0.0003","8.7181","0.0003","10.1314","0.0003","94.734","0.003","99.553","0.003","102.843","0.003","669.13","0.04","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Br N2 P4 Re -","- C20 H48 Br N2 P4 Re -","- C20 H48 Br N2 P4 Re -","1","0.5","","Shanahan, James P.; Szymczak, Nathaniel K.","Hydrogen Bonding to a Dinitrogen Complex at Room Temperature: Impacts on N<sub>2</sub> Activation.","Journal of the American Chemical Society","2019","141","21","8550","8556","10.1021/jacs.9b02288","","x-ray","1.54184","CuKα","","0.0389","0.0389","","","0.1087","0.1087","","","","","","1.124","","","","has coordinates,has disorder","223211","2020-10-21","18:00:00",""
"4127265","7.6915","0.0003","13.4945","0.0006","16.2687","0.0007","90","","90","","90","","1688.58","0.12","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O8 S -","- C14 H18 N2 O8 S -","- C56 H72 N8 O32 S4 -","4","1","","Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian","Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.","Journal of the American Chemical Society","2019","141","21","8509","8515","10.1021/jacs.9b01862","","","1.54178","CuKα","","0.0469","0.045","","","0.1146","0.1211","","","","","","1.125","","","","has coordinates","223208","2020-10-21","18:00:00",""
"4127266","6.3115","0.0001","6.3115","0.0001","6.3115","0.0001","90","","90","","90","","251.419","0.007","293","","293","","","","","","","","","6","P m -3 m","-P 4 2 3","221","20% ethylenediamonium formamidinium methylamonium lead tin iodide","","","- C H0 I3 N2.503 Pb0.388 Sn0.412 -","- C I3 N2.52 Pb0.3885 Sn0.4124 -","- C I3 N2.52 Pb0.3885 Sn0.4124 -","1","0.0208333","","Ke, Weijun; Spanopoulos, Ioannis; Tu, Qing; Hadar, Ido; Li, Xiaotong; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Ethylenediammonium-Based ""Hollow"" Pb/Sn Perovskites with Ideal Band Gap Yield Solar Cells with Higher Efficiency and Stability.","Journal of the American Chemical Society","2019","141","21","8627","8637","10.1021/jacs.9b03662","","x-ray","0.71073","MoKα","","0.0434","0.0432","","","0.1181","0.1182","","","","4.47","4.47","4.43","","","","has coordinates","223210","2020-10-21","18:00:00",""
"4127267","6.3063","0.0004","6.3063","0.0004","6.3063","0.0004","90","","90","","90","","250.8","0.03","293","","293","","","","","","","","","6","P m -3 m","-P 4 2 3","221","5% ethylenediamonium formamidinium methylamonium lead tin iodide","","","- C H0 I3 N0.96 Pb0.524 Sn0.433 -","- C I3 N0.96 Pb0.5236 Sn0.433 -","- C I3 N0.96 Pb0.5236 Sn0.433 -","1","0.0208333","","Ke, Weijun; Spanopoulos, Ioannis; Tu, Qing; Hadar, Ido; Li, Xiaotong; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Ethylenediammonium-Based ""Hollow"" Pb/Sn Perovskites with Ideal Band Gap Yield Solar Cells with Higher Efficiency and Stability.","Journal of the American Chemical Society","2019","141","21","8627","8637","10.1021/jacs.9b03662","","x-ray","0.71073","MoKα","","0.0231","0.0231","","","0.069","0.069","","","","2.51","2.51","2.51","","","","has coordinates","223210","2020-10-21","18:00:00",""
"4127268","6.1765","0.0001","9.2268","0.0001","24.6586","0.0002","90","","90","","90","","1405.28","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O3 S -","- C13 H21 N O3 S -","- C52 H84 N4 O12 S4 -","4","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-Type Alkaloids: Total Syntheses of (-)-Daphlongamine H and (-)-Isodaphlongamine H.","Journal of the American Chemical Society","2019","141","21","8431","8435","10.1021/jacs.9b03576","","","1.54184","CuKα","","0.0249","0.0249","","","0.066","0.066","","","","","","1.047","","","","has coordinates","223207","2020-10-21","18:00:00",""
"4127269","27.458","0.003","36.623","0.004","21.558","0.003","90","","116.955","0.002","90","","19324","4","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C288 H378 Co18 N8 O103 -","- C288 H66 Co18 N8 O103 -","- C576 H132 Co36 N16 O206 -","2","0.25","","Hu, Xiangquan; Chai, Jie; Zhang, Chen; Lang, Jinxin; Kelley, Steven P.; Feng, Sisi; Liu, Bin; Atwood, David A.; Atwood, Jerry L.","Biomimetic Self-Assembly of Co<sup>II</sup>-Seamed Hexameric Metal-Organic Nanocapsules.","Journal of the American Chemical Society","2019","141","23","9151","9154","10.1021/jacs.9b02857","","","0.71073","MoKα","","0.153","0.1176","","","0.3582","0.3891","","","","","","1.627","","","","has coordinates,has disorder","223204","2020-10-21","18:00:00",""
"4127270","10.769","0.002","42.392","0.009","21.858","0.005","90","","92.984","0.003","90","","9965","4","93","","93","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H100 N36 Ni8 O48.5 -","- C48 H100 N36 Ni8 O48.5 -","- C192 H400 N144 Ni32 O194 -","4","1","","Miyake, Ryosuke; Ando, Akira; Ueno, Manami; Muraoka, Takahiro","Formation of Giant and Small Cyclic Complexes from a Flexible Tripeptide Ligand Controlled by Metal Coordination and Hydrogen Bonds.","Journal of the American Chemical Society","2019","141","22","8675","8679","10.1021/jacs.9b01541","","","0.71073","MoKα","","0.1135","0.0712","","","0.1501","0.1681","","","","","","0.996","","","","has coordinates","223196","2020-10-21","18:00:00",""
"4127271","19.2821","0.0004","19.3677","0.0004","34.7903","0.0005","88.3916","0.0013","86.2435","0.0013","85.6543","0.0015","12923.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C216 H180 Ag32 Cd12 Se36 -","- C216 H180 Ag32 Cd12 Se36 -","- C432 H360 Ag64 Cd24 Se72 -","2","1","","Bootharaju, Megalamane S.; Chang, Hogeun; Deng, Guocheng; Malola, Sami; Baek, Woonhyuk; Häkkinen, Hannu; Zheng, Nanfeng; Hyeon, Taeghwan","Cd<sub>12</sub>Ag<sub>32</sub>(SePh)<sub>36</sub>: Non-Noble Metal Doped Silver Nanoclusters.","Journal of the American Chemical Society","2019","141","21","8422","8425","10.1021/jacs.9b03257","","x-ray","1.54184","CuKα","","0.0741","0.063","","","0.1565","0.1666","","","","","","1.075","","","","has coordinates","223205","2020-10-21","18:00:00",""
"4127272","9.786","0.002","18.799","0.005","18.955","0.005","90","","90.261","0.005","90","","3487.1","1.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H51 Ag N2 -","- C39 H51 Ag N2 -","- C156 H204 Ag4 N8 -","4","2","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0631","0.0415","","","0.0799","0.0869","","","","","","1.011","","","","has coordinates","223206","2020-10-21","18:00:00",""
"4127273","9.17","0.002","15.012","0.003","9.662","0.002","90","","93.909","0.004","90","","1327","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H43 Ag Cl N -","- C27 H43 Ag Cl N -","- C54 H86 Ag2 Cl2 N2 -","2","1","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0379","0.0342","","","0.0814","0.0838","","","","","","1.043","","","","has coordinates","223206","2020-10-21","18:00:00",""
"4127274","9.808","0.0005","18.5499","0.0009","18.9205","0.001","90","","91.464","0.001","90","","3441.2","0.3","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H51 Au N2 -","- C39 H51 Au N2 -","- C156 H204 Au4 N8 -","4","1","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0267","0.0206","","","0.0413","0.0428","","","","","","1.056","","","","has coordinates","223206","2020-10-21","18:00:00",""
"4127275","13.575","0.009","23.606","0.015","12.982","0.011","90","","113.56","0.03","90","","3813","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 Au N3 O -","- C42 H50 Au N3 O -","- C168 H200 Au4 N12 O4 -","4","0.5","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0127","0.0121","","","0.0308","0.031","","","","","","1.074","","","","has coordinates,has disorder","223206","2020-10-21","18:00:00",""
"4127276","13.63","0.03","23.89","0.04","12.85","0.03","90","","113.92","0.03","90","","3825","14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C42H51AgN3O","","","- C42 H50 Ag N3 O -","- C42 H50 Ag N3 O -","- C168 H200 Ag4 N12 O4 -","4","0.5","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0738","0.0646","","","0.1721","0.181","","","","","","1.119","","","","has coordinates,has disorder","223206","2020-10-21","18:00:00",""
"4127277","5.7759","0.0002","10.3846","0.0004","11.5759","0.0004","76.493","0.002","89.622","0.003","78.571","0.002","661.16","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 F2 N O -","- C15 H17 F2 N O -","- C30 H34 F4 N2 O2 -","2","1","","Flodén, Nils J; Trowbridge, Aaron; Willcox, Darren; Walton, Scarlett M.; Kim, Yongjoon; Gaunt, Matthew J.","Streamlined Synthesis of C(sp<sup>3</sup>)-Rich N-Heterospirocycles Enabled by Visible-Light-Mediated Photocatalysis.","Journal of the American Chemical Society","2019","141","21","8426","8430","10.1021/jacs.9b03372","","","1.54178","CuKα","","0.0703","0.0463","","","0.0976","0.1076","","","","","","1.046","","","","has coordinates","223209","2020-10-21","18:00:00",""
"4127278","16.556","0.003","5.9897","0.0011","17.839","0.002","90","","92.033","0.011","90","","1767.9","0.5","180","2","180","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C76 H104 N8 O8 -","4","1","","Flodén, Nils J; Trowbridge, Aaron; Willcox, Darren; Walton, Scarlett M.; Kim, Yongjoon; Gaunt, Matthew J.","Streamlined Synthesis of C(sp<sup>3</sup>)-Rich N-Heterospirocycles Enabled by Visible-Light-Mediated Photocatalysis.","Journal of the American Chemical Society","2019","141","21","8426","8430","10.1021/jacs.9b03372","","","1.54178","CuKα","","0.1315","0.075","","","0.1728","0.2021","","","","","","1.045","","","","has coordinates","223209","2020-10-21","18:00:00",""
"4127279","11.443","0.0004","14.658","0.0004","16.1254","0.0005","90","","90","","90","","2704.74","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 N2 O3 S -","- C29 H34 N2 O3 S -","- C116 H136 N8 O12 S4 -","4","1","","Devannah, Vijayarajan; Sharma, Rajgopal; Watson, Donald A.","Nickel-Catalyzed Asymmetric C-Alkylation of Nitroalkanes: Synthesis of Enantioenriched β-Nitroamides.","Journal of the American Chemical Society","2019","141","21","8436","8440","10.1021/jacs.9b04175","","","1.54178","CuKα","","0.0744","0.0647","","","0.1775","0.1898","","","","","","1.181","","","","has coordinates","223212","2020-10-21","18:00:00",""
"4127280","9.7516","0.0003","13.2713","0.0004","15.4202","0.0005","90","","90","","90","","1995.63","0.11","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Devannah, Vijayarajan; Sharma, Rajgopal; Watson, Donald A.","Nickel-Catalyzed Asymmetric C-Alkylation of Nitroalkanes: Synthesis of Enantioenriched β-Nitroamides.","Journal of the American Chemical Society","2019","141","21","8436","8440","10.1021/jacs.9b04175","","","1.54178","CuKα","","0.0431","0.0415","","","0.1138","0.1145","","","","","","1.02","","","","has coordinates","223212","2020-10-21","18:00:00",""
"4127281","9.4957","0.0003","12.3869","0.0004","12.5187","0.0004","90","","90","","90","","1472.48","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Devannah, Vijayarajan; Sharma, Rajgopal; Watson, Donald A.","Nickel-Catalyzed Asymmetric C-Alkylation of Nitroalkanes: Synthesis of Enantioenriched β-Nitroamides.","Journal of the American Chemical Society","2019","141","21","8436","8440","10.1021/jacs.9b04175","","","1.54178","CuKα","","0.0297","0.0293","","","0.079","0.0796","","","","","","1.071","","","","has coordinates","223212","2020-10-21","18:00:00",""
"4127296","10","0.002","11.94","0.002","19.829","0.011","90","","90","","90","","2367.6","1.5","100","2","100","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C18 H10 O40 Zr6 -","- C18 H10 O40 Zr6 -","- C36 H20 O80 Zr12 -","2","0.125","","Wang, Sujing; Xhaferaj, Nertil; Wahiduzzaman, Mohammad; Oyekan, Kolade; Li, Xiao; Wei, Kevin; Zheng, Bin; Tissot, Antoine; Marrot, Jérôme; Shepard, William; Martineau-Corcos, Charlotte; Filinchuk, Yaroslav; Tan, Kui; Maurin, Guillaume; Serre, Christian","Engineering Structural Dynamics of Zirconium Metal-Organic Frameworks Based on Natural C4 Linkers.","Journal of the American Chemical Society","2019","141","43","17207","17216","10.1021/jacs.9b07816","","","0.8266","synchrotron","","0.1329","0.1086","","","0.3028","0.3548","","","","","","1.17","","","","has coordinates","223197","2020-10-21","18:00:00",""
"4127338","13.2016","0.0002","13.2016","0.0002","20.4473","0.0006","90","","90","","120","","3086.17","0.11","293","2","293","2","","","","","","","","3","P 65","P 65","170","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C120 H144 O30 -","6","1","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","1.54184","CuKα","","0.0419","0.0374","","","0.101","0.105","","","","","","1.053","","","","has coordinates","220623","2020-10-21","18:00:00",""
"4127339","13.1614","0.0014","13.9623","0.0018","32.099","0.005","90","","96.405","0.012","90","","5861.8","1.3","179.97","0.13","179.97","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H48 O4 Si2 -","- C25 H48 O4 Si2 -","- C200 H384 O32 Si16 -","8","2","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","0.71073","MoKα","","0.1571","0.1193","","","0.2466","0.2644","","","","","","1.027","","","","has coordinates","220624","2020-10-21","18:00:00",""
"4127340","6.0694","0.0001","12.5162","0.0003","19.1277","0.0004","73.301","0.002","83.663","0.002","87.804","0.002","1383.24","0.05","179.98","0.1","179.98","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","2","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","","0.71073","MoKα","","0.0608","0.0444","","","0.1148","0.1229","","","","","","1.061","","","","has coordinates","220625","2020-10-21","18:00:00",""
"4127341","7.4362","0.0002","42.8598","0.0011","10.2836","0.0003","90","","91.457","0.002","90","","3276.47","0.15","180.1","0.3","180.1","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 O5 Si2 -","- C30 H54 O5 Si2 -","- C120 H216 O20 Si8 -","4","1","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","0.71073","MoKα","","0.0717","0.0603","","","0.1327","0.1374","","","","","","1.035","","","","has coordinates","220626","2020-10-21","18:00:00",""
"4127342","21.1666","0.001","7.7501","0.0003","12.954","0.0005","90","","108.914","0.004","90","","2010.28","0.15","180","0.1","180","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C80 H112 O32 -","8","1","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","0.71073","MoKα","","0.0354","0.0337","","","0.0941","0.0958","","","","","","1.032","","","","has coordinates","220627","2020-10-21","18:00:00",""
"4127343","14.9673","0.0004","10.4532","0.0003","20.7264","0.0007","90","","93.571","0.003","90","","3236.48","0.17","180","0.2","180","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C144 H176 O40 -","8","2","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","0.71073","MoKα","","0.0786","0.0578","","","0.1475","0.1607","","","","","","1.029","","","","has coordinates,has disorder","220628","2020-10-21","18:00:00",""
"4127344","6.5809","0.0003","19.9485","0.0012","10.8622","0.0005","90","","103.053","0.005","90","","1389.13","0.13","180.1","0.4","180.1","0.4","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","0.71073","MoKα","","0.0681","0.0508","","","0.1276","0.135","","","","","","1.042","","","","has coordinates","220629","2020-10-21","18:00:00",""
"4127345","28.23","0.0003","28.23","0.0003","28.23","0.0003","90","","90","","90","","22497.4","0.4","250","","250","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C10.62 H7 Hf0.75 O5 V0.1 -","- C10.625 H7 Hf0.75 O5 V0.1 -","- C255 H168 Hf18 O120 V2.4 -","24","0.5","","Wang, Xingjie; Zhang, Xuan; Li, Peng; Otake, Ken-Ichi; Cui, Yuexing; Lyu, Jiafei; Krzyaniak, Matthew D.; Zhang, Yuanyuan; Li, Zhanyong; Liu, Jian; Buru, Cassandra T.; Islamoglu, Timur; Wasielewski, Michael R.; Li, Zhong; Farha, Omar K.","Vanadium Catalyst on Isostructural Transition Metal, Lanthanide, and Actinide Based Metal-Organic Frameworks for Alcohol Oxidation.","Journal of the American Chemical Society","2019","141","20","8306","8314","10.1021/jacs.9b02603","","x-ray","1.54178","CuKα","","0.215","0.1894","","","0.6168","0.6381","","","","","","3.04","","","","has coordinates,has disorder","220630","2020-10-21","18:00:00",""
"4127346","28.0224","0.0008","28.0224","0.0008","28.0224","0.0008","90","","90","","90","","22004.7","1.1","100","","100","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C40 H28 Hf3 O16 -","- C40 H28 Hf3 O16 -","- C240 H168 Hf18 O96 -","6","0.125","","Wang, Xingjie; Zhang, Xuan; Li, Peng; Otake, Ken-Ichi; Cui, Yuexing; Lyu, Jiafei; Krzyaniak, Matthew D.; Zhang, Yuanyuan; Li, Zhanyong; Liu, Jian; Buru, Cassandra T.; Islamoglu, Timur; Wasielewski, Michael R.; Li, Zhong; Farha, Omar K.","Vanadium Catalyst on Isostructural Transition Metal, Lanthanide, and Actinide Based Metal-Organic Frameworks for Alcohol Oxidation.","Journal of the American Chemical Society","2019","141","20","8306","8314","10.1021/jacs.9b02603","","x-ray","0.71073","MoKα","","0.0967","0.0605","","","0.1393","0.1739","","","","","","1.066","","","","has coordinates,has disorder","220631","2020-10-21","18:00:00",""
"4127347","28.2644","0.0004","28.2644","0.0004","28.2644","0.0004","90","","90","","90","","22579.8","0.6","200","","200","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C10.62 H7 O5.2 V0.1 Zr0.75 -","- C10.625 H7 O5.2 V0.1 Zr0.75 -","- C255 H168 O124.8 V2.4 Zr18 -","24","0.5","","Wang, Xingjie; Zhang, Xuan; Li, Peng; Otake, Ken-Ichi; Cui, Yuexing; Lyu, Jiafei; Krzyaniak, Matthew D.; Zhang, Yuanyuan; Li, Zhanyong; Liu, Jian; Buru, Cassandra T.; Islamoglu, Timur; Wasielewski, Michael R.; Li, Zhong; Farha, Omar K.","Vanadium Catalyst on Isostructural Transition Metal, Lanthanide, and Actinide Based Metal-Organic Frameworks for Alcohol Oxidation.","Journal of the American Chemical Society","2019","141","20","8306","8314","10.1021/jacs.9b02603","","","1.54178","CuKα","","0.1608","0.1458","","","0.5059","0.559","","","","","","2.692","","","","has coordinates,has disorder","220632","2020-10-21","18:00:00",""
"4127348","17.0704","0.0003","17.0704","0.0003","32.8329","0.0006","90","","90","","90","","9567.5","0.3","100","2","100","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C144 H188 N76 Ni14 O12 -","- C144 H188 N76 Ni14 O12 -","- C288 H376 N152 Ni28 O24 -","2","0.25","","Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.","Journal of the American Chemical Society","2019","141","29","11621","11627","10.1021/jacs.9b04520","","","1.54178","CuKα","","0.055","0.0458","","","0.1206","0.1274","","","","","","1.05","","","","has coordinates","220633","2020-10-21","18:00:00",""
"4127349","25.8521","0.0006","25.8521","0.0006","16.8589","0.0006","90","","90","","90","","11267.3","0.5","293","2","293","2","","","","","","","","5","P 4 2 2","P 4 2","89","","","","- C144 H192 N76 Ni14 O12 -","- C144 H192 N76 Ni14 O12 -","- C288 H384 N152 Ni28 O24 -","2","0.25","","Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.","Journal of the American Chemical Society","2019","141","29","11621","11627","10.1021/jacs.9b04520","","","1.54178","CuKα","","0.0863","0.0516","","","0.1147","0.1336","","","","","","0.937","","","","has coordinates","220633","2020-10-21","18:00:00",""
"4127350","17.00574","0.00007","17.00574","0.00007","33.0599","0.0002","90","","90","","90","","9560.76","0.08","100","2","100","2","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C144 H192 Cu6 N76 Ni8 O12 -","- C144 H192 Cu6 N76 Ni8 O12 -","- C288 H384 Cu12 N152 Ni16 O24 -","2","0.25","","Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.","Journal of the American Chemical Society","2019","141","29","11621","11627","10.1021/jacs.9b04520","","","1.54184","CuKα","","0.0662","0.0638","","","0.1831","0.1867","","","","","","1.06","","","","has coordinates","220633","2020-10-21","18:00:00",""
"4127351","13.2775","0.0005","12.4308","0.0004","15.8978","0.0007","90","","98.606","0.004","90","","2594.39","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 N11 Ni O6 -","- C18 H27 N11 Ni O6 -","- C72 H108 N44 Ni4 O24 -","4","1","","Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.","Journal of the American Chemical Society","2019","141","29","11621","11627","10.1021/jacs.9b04520","","","1.54178","CuKα","","0.0696","0.0575","","","0.1737","0.1856","","","","","","1.028","","","","has coordinates","220633","2020-10-21","18:00:00",""
"4127352","12.84","0.003","45.11","0.009","20.49","0.004","90","","96.9","0.03","90","","11782","4","133","2","133.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24.25 H38.75 K0.75 Mn0.75 N3.75 O3.25 P1.5 -","- C24.25 H38.75 K0.75 Mn0.75 N3.75 O3.25 P1.5 -","- C388 H620 K12 Mn12 N60 O52 P24 -","16","4","","Freitag, Frederik; Irrgang, Torsten; Kempe, Rhett","Mechanistic Studies of Hydride Transfer to Imines from a Highly Active and Chemoselective Manganate Catalyst.","Journal of the American Chemical Society","2019","141","29","11677","11685","10.1021/jacs.9b05024","","","0.71073","MoKα","","0.1474","0.0983","","","0.2702","0.328","","","","","","1.06","","","","has coordinates,has disorder","220634","2020-10-21","18:00:00",""
"4127353","24.5951","0.0005","25.8919","0.0004","33.0285","0.0004","82.294","0.001","80.788","0.001","67.08","0.001","19063","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C295 H187.5 Ag12 Cl2 F60 N72.5 O48 S20 -","- C278.4 H187.5 Ag12 Cl2 F10.2 N64.2 O14.8 S3.4 -","- C556.8 H375 Ag24 Cl4 F20.4 N128.4 O29.6 S6.8 -","2","1","","Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Anion Pairs Template a Trigonal Prism with Disilver Vertices.","Journal of the American Chemical Society","2019","141","29","11409","11413","10.1021/jacs.9b05432","","","0.6889","Synchrotron","","0.1255","0.0919","","","0.2812","0.3151","","","","","","1.01","","","","has coordinates,has disorder","220635","2020-10-21","18:00:00",""
"4127354","23.3103","0.0003","27.5339","0.0003","34.0879","0.0004","87.797","0.001","79.35","0.001","70.874","0.001","20308.9","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C275.5 H186.75 Ag12 F69 N62.25 O3 P11 S -","- C275.5 H186.75 Ag12 F53.8998 N62.25 O3 P8.4833 S -","- C551 H373.5 Ag24 F107.8 N124.5 O6 P16.9666 S2 -","2","1","","Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Anion Pairs Template a Trigonal Prism with Disilver Vertices.","Journal of the American Chemical Society","2019","141","29","11409","11413","10.1021/jacs.9b05432","","","0.6889","Synchrotron","","0.1185","0.0845","","","0.27","0.2943","","","","","","1.03","","","","has coordinates,has disorder","220636","2020-10-21","18:00:00",""
"4127355","43.3421","0.0004","32.8367","0.0002","27.6735","0.0002","90","","93.269","0.001","90","","39321.2","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C325 H242 Ag12 F60 N83 O49.5 S22 -","- C320.6 H225.702 Ag12 F46.8 N80.8 O40.708 S17.6 -","- C1282.4 H902.808 Ag48 F187.2 N323.2 O162.832 S70.4 -","4","0.5","","Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Anion Pairs Template a Trigonal Prism with Disilver Vertices.","Journal of the American Chemical Society","2019","141","29","11409","11413","10.1021/jacs.9b05432","","","0.6889","Synchrotron","","0.1192","0.0888","","","0.2773","0.3047","","","","","","1.117","","","","has coordinates,has disorder","220637","2020-10-21","18:00:00",""
"4127356","42.8029","0.0007","32.731","0.0004","27.8538","0.0005","90","","93.412","0.001","90","","38953.5","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C314 H216 Ag12 F60 N82 O48 S22 -","- C308.2 H216 Ag12 F42.6 N79.1 O36.4 S16.2 -","- C1232.8 H864 Ag48 F170.4 N316.4 O145.6 S64.8 -","4","0.5","","Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Anion Pairs Template a Trigonal Prism with Disilver Vertices.","Journal of the American Chemical Society","2019","141","29","11409","11413","10.1021/jacs.9b05432","","","0.6889","Synchrotron","","0.1175","0.0872","","","0.2573","0.2907","","","","","","1.044","","","","has coordinates,has disorder","220638","2020-10-21","18:00:00",""
"4127357","43.6194","0.0003","32.4028","0.0003","27.3509","0.0002","90","","92.564","0.001","90","","38618.8","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C337 H260 Ag12 F60 N88 O48 S22 -","- C337.004 H230.5 Ag12 F60.012 N88.002 O48.008 S22.004 -","- C1348.02 H922 Ag48 F240.048 N352.008 O192.032 S88.016 -","4","0.5","","Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Anion Pairs Template a Trigonal Prism with Disilver Vertices.","Journal of the American Chemical Society","2019","141","29","11409","11413","10.1021/jacs.9b05432","","","0.6889","Synchrotron","","0.1007","0.0666","","","0.198","0.2239","","","","","","1.014","","","","has coordinates,has disorder","220639","2020-10-21","18:00:00",""
"4127358","10.45","0.0005","4.7965","0.0002","17.7602","0.0008","90","","90","","90","","890.2","0.07","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cesium lead triiodoplumbate","","- Cs I3 Pb -","- Cs I3 Pb -","- Cs4 I12 Pb4 -","4","0.5","","Straus, Daniel B.; Guo, Shu; Cava, Robert J.","Kinetically Stable Single Crystals of Perovskite-Phase CsPbI<sub>3</sub>.","Journal of the American Chemical Society","2019","141","29","11435","11439","10.1021/jacs.9b06055","","","0.71073","MoKα","","0.029","0.0202","","","0.0313","0.033","","","","","","1.107","","","","has coordinates","220640","2020-10-21","18:00:00",""
"4127359","8.8637","0.0008","12.4838","0.0012","8.5783","0.0008","90","","90","","90","","949.21","0.15","295","2","295.03","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs I3 Pb -","- Cs I3 Pb -","- Cs4 I12 Pb4 -","4","0.5","","Straus, Daniel B.; Guo, Shu; Cava, Robert J.","Kinetically Stable Single Crystals of Perovskite-Phase CsPbI<sub>3</sub>.","Journal of the American Chemical Society","2019","141","29","11435","11439","10.1021/jacs.9b06055","","","0.71073","MoKα","","0.0645","0.0349","","","0.0599","0.0679","","","","","","1.047","","","","has coordinates","220641","2020-10-21","18:00:00",""
"4127360","23.8076","0.0011","23.8076","0.0011","19.7236","0.001","90","","90","","90","","11179.4","0.9","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C80 H60 O38 Th6 -","- C80 H60 O38 Th6 -","- C160 H120 O76 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0408","0.0318","","","0.0836","0.0893","","","","","","1.043","","","","has coordinates","220642","2020-10-21","18:00:00",""
"4127361","23.8372","0.0009","23.8372","0.0009","19.7212","0.0008","90","","90","","90","","11205.8","0.8","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C80 H60 O38 Th6 -","- C80 H60 O38 Th6 -","- C160 H120 O76 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0578","0.0463","","","0.1295","0.1424","","","","","","1.072","","","","has coordinates","220643","2020-10-21","18:00:00",""
"4127362","23.8841","0.0016","23.8841","0.0016","19.6378","0.0014","90","","90","","90","","11202.4","1.3","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C102 H76 O38 Th6 -","- C102 H76 O38 Th6 -","- C204 H152 O76 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0341","0.029","","","0.0764","0.0803","","","","","","1.058","","","","has coordinates","220644","2020-10-21","18:00:00",""
"4127363","25.5223","0.0017","25.5223","0.0017","14.6275","0.0011","90","","90","","90","","9528.2","1.1","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O34 Th6 -","- C64 H48 O34 Th6 -","- C128 H96 O68 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.1223","0.0895","","","0.2378","0.2657","","","","","","1.049","","","","has coordinates","220645","2020-10-21","18:00:00",""
"4127364","25.114","0.003","25.114","0.003","15.2262","0.0016","90","","90","","90","","9603.4","1.9","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O34 U6 -","- C64 H48 O34 U6 -","- C128 H96 O68 U12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.1441","0.103","","","0.2896","0.3499","","","","","","1.304","","","","has coordinates","220646","2020-10-21","18:00:00",""
"4127365","24.0205","0.0008","24.0205","0.0008","19.7574","0.0006","90","","90","","90","","11399.7","0.6","301","2","301","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C80 H60 O37 Th6 -","- C80 H60 O37 Th6 -","- C160 H120 O74 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0527","0.0316","","","0.0802","0.086","","","","","","1.082","","","","has coordinates,has disorder","220647","2020-10-21","18:00:00",""
"4127366","27.8788","0.001","27.8788","0.001","27.8788","0.001","90","","90","","90","","21668.2","1.3","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C102 H90 N6 O38 Th6 -","- C102 H90 N6 O38 Th6 -","- C408 H360 N24 O152 Th24 -","4","0.0208333","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0272","0.0226","","","0.0586","0.0615","","","","","","1.166","","","","has coordinates","220648","2020-10-21","18:00:00",""
"4127367","25.142","0.0015","25.142","0.0015","15.1163","0.0009","90","","90","","90","","9555.3","1","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O34 U6 -","- C64 H48 O34 U6 -","- C128 H96 O68 U12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0787","0.0559","","","0.1479","0.171","","","","","","1.035","","","","has coordinates","220649","2020-10-21","18:00:00",""
"4127368","23.8341","0.0016","23.8341","0.0016","19.7558","0.0014","90","","90","","90","","11222.6","1.3","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C70 H40 O38 Th6 -","- C70 H40 O38 Th6 -","- C140 H80 O76 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0391","0.029","","","0.0788","0.0836","","","","","","1.05","","","","has coordinates","220650","2020-10-21","18:00:00",""
"4127369","23.9422","0.001","23.9422","0.001","19.4231","0.001","90","","90","","90","","11133.9","0.9","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O38 Th6 -","- C64 H48 O38 Th6 -","- C128 H96 O76 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.072","0.0581","","","0.1469","0.1645","","","","","","1.047","","","","has coordinates","220651","2020-10-21","18:00:00",""
"4127370","23.6374","0.001","23.6374","0.001","19.3363","0.0009","90","","90","","90","","10803.7","0.8","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C84 H60 F6 O34 U6 -","- C84 H60 F6 O34 U6 -","- C168 H120 F12 O68 U12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0671","0.048","","","0.1233","0.1359","","","","","","1.035","","","","has coordinates","220652","2020-10-21","18:00:00",""
"4127371","23.7918","0.0008","23.7918","0.0008","19.6923","0.0007","90","","90","","90","","11146.8","0.7","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C80 H60 N2 O40 Th6 -","- C80 H60 N2 O40 Th6 -","- C160 H120 N4 O80 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0544","0.0438","","","0.1131","0.1211","","","","","","1.042","","","","has coordinates","220653","2020-10-21","18:00:00",""
"4127372","12.7477","0.0003","13.0092","0.0003","19.8574","0.0004","92.3462","0.0017","90.9972","0.0016","96.6033","0.0017","3267.7","0.13","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H68 B F24 P2 Rh -","- C62 H68 B F24 P2 Rh -","- C124 H136 B2 F48 P4 Rh2 -","2","1","","McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S.","Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes.","Journal of the American Chemical Society","2019","141","29","11700","11712","10.1021/jacs.9b05577","","x-ray","1.54184","CuKα","","0.0553","0.0511","","","0.1475","0.1509","","","","","","1.096","","","","has coordinates,has disorder","220654","2020-10-21","18:00:00",""
"4127373","19.1238","0.0003","34.6204","0.0005","19.5735","0.0003","90","","90.624","0.002","90","","12958.3","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 B F24 P2 Rh -","- C62 H70 B F24 P2 Rh -","- C496 H560 B8 F192 P16 Rh8 -","8","2","","McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S.","Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes.","Journal of the American Chemical Society","2019","141","29","11700","11712","10.1021/jacs.9b05577","","x-ray","1.54184","CuKα","","0.1054","0.0949","","","0.2456","0.2543","","","","","","1.059","","","","has coordinates,has disorder","220654","2020-10-21","18:00:00",""
"4127374","12.7582","0.0016","12.9595","0.0015","19.8097","0.0008","92.028","0.006","90.685","0.007","96.23","0.001","3253.5","0.6","150.01","0.11","150.01","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C62 H68 B F24 P2 Rh -","- C62 H68 B F24 P2 Rh -","- C124 H136 B2 F48 P4 Rh2 -","2","1","","McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S.","Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes.","Journal of the American Chemical Society","2019","141","29","11700","11712","10.1021/jacs.9b05577","","x-ray","1.54184","CuKα","","0.1346","0.1095","","","0.2956","0.3237","","","","","","1.139","","","","has coordinates,has disorder","220654","2020-10-21","18:00:00",""
"4127375","19.2893","0.0002","17.2828","0.0001","20.2622","0.0001","90","","91.149","0.001","90","","6753.51","0.09","249.99","0.1","249.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H68 B F24 P2 Rh -","- C64 H68 B F24 P2 Rh -","- C256 H272 B4 F96 P8 Rh4 -","4","0.5","","McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S.","Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes.","Journal of the American Chemical Society","2019","141","29","11700","11712","10.1021/jacs.9b05577","","x-ray","1.54178","CuKα","","0.0597","0.0548","","","0.1653","0.1709","","","","","","1.076","","","","has coordinates,has disorder","220654","2020-10-21","18:00:00",""
"4127376","19.1736","0.0008","17.6512","0.0008","19.7601","0.0012","90","","91.086","0.005","90","","6686.3","0.6","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H72 B F24 P2 Rh -","- C64 H72 B F24 P2 Rh -","- C256 H288 B4 F96 P8 Rh4 -","4","0.5","","McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S.","Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes.","Journal of the American Chemical Society","2019","141","29","11700","11712","10.1021/jacs.9b05577","","x-ray","1.54184","CuKα","","0.1082","0.1031","","","0.212","0.2141","","","","","","1.082","","","","has coordinates,has disorder","220654","2020-10-21","18:00:00",""
"4127377","8.0473","0.0007","5.7982","0.0007","15.2584","0.0016","90","","104.905","0.008","90","","688","0.13","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H15 F3 -","- C17 H15 F3 -","- C34 H30 F6 -","2","1","","Trost, Barry M.; Gholami, Hadi; Zell, Daniel","Palladium-Catalyzed Asymmetric Allylic Fluoroalkylation/Trifluoromethylation.","Journal of the American Chemical Society","2019","141","29","11446","11451","10.1021/jacs.9b06231","","","1.54178","CuKα","","0.0381","0.0348","","","0.0831","0.0846","","","","","","1.061","","","","has coordinates,has disorder","220655","2020-10-21","18:00:00",""
"4127378","6.699","0.001","9.902","0.0013","12.655","0.008","90","","105.339","0.01","90","","809.5","0.5","296.1","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H13 N5 Ni O S4 -","- C11 H13 N5 Ni O S4 -","- C22 H26 N10 Ni2 O2 S8 -","2","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.55981","Synchrotron(SPring-8BL02B1)","","","0.0633","","","","0.1311","","","","","","1.086","","","","has coordinates","220656","2020-10-21","18:00:00",""
"4127379","9.291","0.001","11.504","0.0015","10.88","0.001","90","","104.696","0.007","90","","1124.9","0.2","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 N6 Pt S4 -","- C18 H16 N6 Pt S4 -","- C36 H32 N12 Pt2 S8 -","2","0.5","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.55981","Synchrotron(SPring-8BL02B1)","","","0.0625","","","","0.1904","","","","","","1.149","","","","has coordinates","220657","2020-10-21","18:00:00",""
"4127380","7.7723","0.0007","20.4416","0.0018","14.1183","0.0012","90","","96.37","0.001","90","","2229.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H76 N6 Ni S4 -","- C40 H76 N6 Ni S4 -","- C80 H152 N12 Ni2 S8 -","2","0.5","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.71075","MoKα","","0.0335","0.0319","","","0.0817","0.0831","","","","","","1.03","","","","has coordinates","220658","2020-10-21","18:00:00",""
"4127381","6.576","0.002","24.36","0.008","9.895","0.003","90","","90.107","0.004","90","","1585.1","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C11 H13 N5 Ni O S4 -","- C11 H13 N5 Ni O S4 -","- C44 H52 N20 Ni4 O4 S16 -","4","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.71075","MoKα","","0.0747","0.0466","","","0.0778","0.0847","","","","","","1","","","","has coordinates","220659","2020-10-21","18:00:00",""
"4127382","9.8084","0.0013","10.0948","0.0013","15.219","0.002","72.721","0.001","79.401","0.001","89.378","0.001","1412.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H41 N5 Ni S4 -","- C24 H41 N5 Ni S4 -","- C48 H82 N10 Ni2 S8 -","2","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.71069","MoKα","","0.042","0.0402","","","0.0969","0.0975","","","","","","1.391","","","","has coordinates","220660","2020-10-21","18:00:00",""
"4127383","9.116","0.0007","11.69","0.0009","10.82","0.0005","90","","104.803","0.004","90","","1114.78","0.13","296.1","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 N6 Pd S4 -","- C18 H16 N6 Pd S4 -","- C36 H32 N12 Pd2 S8 -","2","0.5","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.55981","Synchrotron(SPring-8BL02B1)","","","0.0472","","","","0.1398","","","","","","1.131","","","","has coordinates","220661","2020-10-21","18:00:00",""
"4127384","9.2903","0.0012","18.511","0.002","16.684","0.002","90","","95.773","0.002","90","","2854.6","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 N5 Ni S4 -","- C24 H40 N5 Ni S4 -","- C96 H160 N20 Ni4 S16 -","4","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.71073","MoKα","","","0.0411","","","","0.1","","","","","","1.012","","","","has coordinates","220662","2020-10-21","18:00:00",""
"4127385","9.9538","0.0013","10.2166","0.0013","15.106","0.002","72.181","0.001","80.224","0.001","89.566","0.001","1439.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H41 N5 Pt S4 -","- C24 H41 N5 Pt S4 -","- C48 H82 N10 Pt2 S8 -","2","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.71069","MoKα","","0.038","0.037","","","0.0973","0.0976","","","","","","1.371","","","","has coordinates","220663","2020-10-21","18:00:00",""
"4127386","10.012","0.0018","18.468","0.003","21.823","0.004","90","","92.408","0.004","90","","4031.5","1.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H90 Cu2 F8 O P6 -","- C86 H90 Cu2 F8 O P6 -","- C172 H180 Cu4 F16 O2 P12 -","2","0.5","","Andrella, Nicholas O.; Xu, Nancy; Gabidullin, Bulat M.; Ehm, Christian; Baker, R. Tom","Selective Copper Complex-Catalyzed Hydrodefluorination of Fluoroalkenes and Allyl Fluorides: A Tale of Two Mechanisms.","Journal of the American Chemical Society","2019","141","29","11506","11521","10.1021/jacs.9b03101","","","0.71073","MoKα","","0.0638","0.0389","","","0.0974","0.1141","","","","","","1.06","","","","has coordinates,has disorder","220664","2020-10-21","18:00:00",""
"4127387","9.098","0.006","10.652","0.003","13.365","0.006","90","","103.019","0.019","90","","1261.9","1.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H41 N O4 S -","- C28 H41 N O4 S -","- C56 H82 N2 O8 S2 -","2","1","","Guo, Lian-Dong; Hou, Jieping; Tu, Wentong; Zhang, Yan; Zhang, Yue; Chen, Louxi; Xu, Jing","Total Synthesis of Dapholdhamine B and Dapholdhamine B Lactone.","Journal of the American Chemical Society","2019","141","29","11713","11720","10.1021/jacs.9b05641","","x-ray","0.71073","MoKα","","0.0503","0.0474","","","0.1189","0.1216","","","","","","1.044","","","","has coordinates","220665","2020-10-21","18:00:00",""
"4127388","8.2356","0.001","14.7564","0.0017","14.756","","90","","90","","90","","1793.3","0.3","100","2","99.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 N O2 -","- C21 H33 N O2 -","- C84 H132 N4 O8 -","4","1","","Guo, Lian-Dong; Hou, Jieping; Tu, Wentong; Zhang, Yan; Zhang, Yue; Chen, Louxi; Xu, Jing","Total Synthesis of Dapholdhamine B and Dapholdhamine B Lactone.","Journal of the American Chemical Society","2019","141","29","11713","11720","10.1021/jacs.9b05641","","","1.54178","CuKα","","0.0434","0.042","","","0.1167","0.118","","","","","","1.062","","","","has coordinates","220666","2020-10-21","18:00:00",""
"4127389","38.5549","0.0016","38.5549","0.0016","14.8445","0.0007","90","","90","","120","","19109.8","1.4","100","","100","","","","","","","","","5","P 62","P 62","171","","","","- C36 H41 N O7 S -","- C36 H41 N O7 S -","- C864 H984 N24 O168 S24 -","24","4","","Guo, Lian-Dong; Hou, Jieping; Tu, Wentong; Zhang, Yan; Zhang, Yue; Chen, Louxi; Xu, Jing","Total Synthesis of Dapholdhamine B and Dapholdhamine B Lactone.","Journal of the American Chemical Society","2019","141","29","11713","11720","10.1021/jacs.9b05641","","x-ray","0.71073","MoKα","","0.0787","0.0542","","","0.0952","0.102","","","","","","1.121","","","","has coordinates,has disorder","220667","2020-10-21","18:00:00",""
"4127390","8.32811","0.00006","10.96364","0.00007","16.54433","0.00009","90","","90","","90","","1510.6","0.017","140.01","0.1","140.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Wu, Hua; Wang, Qian; Zhu, Jieping","Catalytic Enantioselective Pinacol and Meinwald Rearrangements for the Construction of Quaternary Stereocenters.","Journal of the American Chemical Society","2019","141","29","11372","11377","10.1021/jacs.9b04551","","x-ray","1.54184","CuKα","","0.0252","0.025","","","0.0663","0.0666","","","","","","1.06","","","","has coordinates","220668","2020-10-21","18:00:00",""
"4127391","19.4978","0.0009","15.492","0.0008","15.3385","0.0007","116.236","0.002","108.509","0.002","93.369","0.002","3831.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H81.9 Cd2 N8 O14 -","- C84 H81.894 Cd2 N8 O14 -","- C168 H163.788 Cd4 N16 O28 -","2","1","","Claassens, Isabella E.; Barbour, Leonard J.; Haynes, Delia A.","A Multistimulus Responsive Porous Coordination Polymer: Temperature-Mediated Control of Solid-State [2+2] Cycloaddition.","Journal of the American Chemical Society","2019","141","29","11425","11429","10.1021/jacs.9b05961","","","0.71073","MoKα","","0.0554","0.0393","","","0.0774","0.0865","","","","","","1.039","","","","has coordinates,has disorder","220669","2020-10-21","18:00:00",""
"4127392","19.811","0.002","15.4443","0.0016","15.0786","0.0014","115.954","0.003","108.416","0.003","94.546","0.003","3805.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H66 Cd2 N6 O12 -","- C76 H66 Cd2 N6 O12 -","- C152 H132 Cd4 N12 O24 -","2","1","","Claassens, Isabella E.; Barbour, Leonard J.; Haynes, Delia A.","A Multistimulus Responsive Porous Coordination Polymer: Temperature-Mediated Control of Solid-State [2+2] Cycloaddition.","Journal of the American Chemical Society","2019","141","29","11425","11429","10.1021/jacs.9b05961","","","0.71073","MoKα","","0.0577","0.0419","","","0.0887","0.0972","","","","","","1.025","","","","has coordinates,has disorder","220669","2020-10-21","18:00:00",""
"4127393","20.0731","0.0012","15.4449","0.0009","15.1647","0.0008","114.71","0.002","107.275","0.002","95.625","0.002","3942.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H66 Cd2 N6 O12 -","- C76 H66 Cd2 N6 O12 -","- C152 H132 Cd4 N12 O24 -","2","1","","Claassens, Isabella E.; Barbour, Leonard J.; Haynes, Delia A.","A Multistimulus Responsive Porous Coordination Polymer: Temperature-Mediated Control of Solid-State [2+2] Cycloaddition.","Journal of the American Chemical Society","2019","141","29","11425","11429","10.1021/jacs.9b05961","","","0.71073","MoKα","","0.0951","0.0565","","","0.1071","0.1253","","","","","","1.017","","","","has coordinates,has disorder","220669","2020-10-21","18:00:00",""
"4127394","5.1729","0.0002","10.545","0.0004","35.9696","0.0011","90","","90","","90","","1962.08","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Bendelsmith, Andrew J.; Kim, Seohyun Chris; Wasa, Masayuki; Roche, Stéphane P; Jacobsen, Eric N.","Enantioselective Synthesis of α-Allyl Amino Esters via Hydrogen-Bond-Donor Catalysis.","Journal of the American Chemical Society","2019","141","29","11414","11419","10.1021/jacs.9b05556","","","1.54178","CuKα","","0.0384","0.0369","","","0.0857","0.0862","","","","","","1.098","","","","has coordinates,has disorder","220670","2020-10-21","18:00:00",""
"4127395","9.4527","0.0003","25.1917","0.0008","27.5943","0.0009","90","","90","","90","","6571","0.4","172","2","172","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Co I N2 O3 P -","- C30 H33 Co I N2 O3 P -","- C240 H264 Co8 I8 N16 O24 P8 -","8","2","","Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination.","Journal of the American Chemical Society","2019","141","29","11430","11434","10.1021/jacs.9b06035","","","1.54178","CuKα","","0.0663","0.0555","","","0.1446","0.1531","","","","","","1.021","","","","has coordinates","220671","2020-10-21","18:00:00",""
"4127396","12.3076","0.0004","11.2515","0.0004","14.7336","0.0005","90","","99.185","0.001","90","","2014.13","0.12","223","2","223","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H44 B2 Co F8 N5 O2 P -","- C36 H44 B2 Co F8 N5 O2 P -","- C72 H88 B4 Co2 F16 N10 O4 P2 -","2","1","","Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination.","Journal of the American Chemical Society","2019","141","29","11430","11434","10.1021/jacs.9b06035","","","1.54178","CuKα","","0.0555","0.0539","","","0.1573","0.1589","","","","","","1.027","","","","has coordinates","220672","2020-10-21","18:00:00",""
"4127397","9.7764","0.0018","10.02","0.002","10.928","0.002","112.897","0.014","98.386","0.015","93.96","0.02","966.3","0.3","223","2","223","2","","","","","","","","8","P 1","P 1","1","","","","- C35 H41 B2 Co F8 N4 O3 P -","- C35 H41 B2 Co F8 N4 O3 P -","- C35 H41 B2 Co F8 N4 O3 P -","1","1","","Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination.","Journal of the American Chemical Society","2019","141","29","11430","11434","10.1021/jacs.9b06035","","","1.54178","CuKα","","0.042","0.04","","","0.1054","0.11","","","","","","1.009","","","","has coordinates","220673","2020-10-21","18:00:00",""
"4127398","8.3713","0.0011","9.4586","0.0012","17.695","0.003","90","","90","","90","","1401.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 N2 O -","- C14 H20 N2 O -","- C56 H80 N8 O4 -","4","1","","Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination.","Journal of the American Chemical Society","2019","141","29","11430","11434","10.1021/jacs.9b06035","","","1.54178","CuKα","","0.0606","0.0517","","","0.1463","0.1586","","","","","","1.007","","","","has coordinates","220674","2020-10-21","18:00:00",""
"4127399","17.635","0.0015","22.345","0.002","22.944","0.002","90","","90","","90","","9041.2","1.4","150","2","150","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C21 H15 N2 O5 Zn -","- C21 H15 N2 O5 Zn -","- C336 H240 N32 O80 Zn16 -","16","1","","Rouhani, Farzaneh; Rafizadeh-Masuleh, Fatemeh; Morsali, Ali","Highly Electroconductive Metal-Organic Framework: Tunable by Metal Ion Sorption Quantity.","Journal of the American Chemical Society","2019","141","28","11173","11182","10.1021/jacs.9b04173","","","0.71073","MoKα","","0.0719","0.0448","","","0.108","0.1323","","","","","","1.103","","","","has coordinates","220675","2020-10-21","18:00:00",""
"4127400","15.9057","0.0006","15.2617","0.0005","19.1797","0.0007","90","","93.394","0.002","90","","4647.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SVK5_38_2","SVK5_56","","- C49 H69 Mo N O4 -","- C49 H69 Mo N O4 -","- C196 H276 Mo4 N4 O16 -","4","1","","von Kugelgen, Stephen; Piskun, Ilya; Griffin, James H.; Eckdahl, Christopher T.; Jarenwattananon, Nanette N.; Fischer, Felix R.","Templated Synthesis of End-Functionalized Graphene Nanoribbons through Living Ring-Opening Alkyne Metathesis Polymerization.","Journal of the American Chemical Society","2019","141","28","11050","11058","10.1021/jacs.9b01805","","","0.71073","MoKα","","0.045","0.0382","","","0.0908","0.0966","","","","","","1.078","","","","has coordinates,has disorder","220677","2020-10-21","18:00:00",""
"4127401","5.5153","0.0002","15.9898","0.0007","20.1319","0.0005","87.836","0.003","86.477","0.003","89.047","0.004","1770.6","0.11","100","2","100","2","","","","","","","","2","P -1","-P 1","2","SVK4_120","SVK4_173","","- C28 H16 -","- C28 H16 -","- C112 H64 -","4","2","","von Kugelgen, Stephen; Piskun, Ilya; Griffin, James H.; Eckdahl, Christopher T.; Jarenwattananon, Nanette N.; Fischer, Felix R.","Templated Synthesis of End-Functionalized Graphene Nanoribbons through Living Ring-Opening Alkyne Metathesis Polymerization.","Journal of the American Chemical Society","2019","141","28","11050","11058","10.1021/jacs.9b01805","","x-ray","1.54184","CuKα","","0.0645","0.0496","","","0.1378","0.1496","","","","","","1.076","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4127402","13.492","0.005","6.731","0.002","16.668","0.006","90","","113.874","0.003","90","","1384.2","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Gandelman332b (Andreii)","","","- C23 H27 F3 O10 S -","- C23 H27 F3 O10 S -","- C46 H54 F6 O20 S2 -","2","1","","Varenikov, Andrii; Gandelman, Mark","Organotitanium Nucleophiles in Asymmetric Cross-Coupling Reaction: Stereoconvergent Synthesis of Chiral α-CF<sub>3</sub> Thioethers.","Journal of the American Chemical Society","2019","141","28","10994","10999","10.1021/jacs.9b05671","","","0.71073","MoKα","","0.0753","0.041","","","0.0756","0.0848","","","","","","0.848","","","","has coordinates","220679","2020-10-21","18:00:00",""
"4127403","10.2316","0.0009","6.1453","0.0005","16.0261","0.0014","90","","92.615","0.002","90","","1006.61","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Gandelman335b (Andreii)","","","- C24 H21 F3 S -","- C24 H21 F3 S -","- C48 H42 F6 S2 -","2","1","","Varenikov, Andrii; Gandelman, Mark","Organotitanium Nucleophiles in Asymmetric Cross-Coupling Reaction: Stereoconvergent Synthesis of Chiral α-CF<sub>3</sub> Thioethers.","Journal of the American Chemical Society","2019","141","28","10994","10999","10.1021/jacs.9b05671","","","0.71073","MoKα","","0.0375","0.0341","","","0.0793","0.0806","","","","","","1.003","","","","has coordinates","220680","2020-10-21","18:00:00",""
"4127404","15.419","0.001","15.516","0.001","20.404","0.002","90","","110.38","0.01","90","","4575.9","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H18 Gd3 N3 -","- C88 H18 Gd3 N3 -","- C352 H72 Gd12 N12 -","4","0.5","","Semivrazhskaya, Olesya; Romero-Rivera, Adrian; Aroua, Safwan; Troyanov, Sergey I.; Garcia-Borràs, Marc; Stevenson, Steven; Osuna, Sílvia; Yamakoshi, Yoko","Structures of Gd<sub>3</sub>N@C<sub>80</sub> Prato Bis-Adducts: Crystal Structure, Thermal Isomerization, and Computational Study.","Journal of the American Chemical Society","2019","141","28","10988","10993","10.1021/jacs.9b05603","","","0.895","synchrotron","","0.1958","0.1632","","","0.3732","0.3901","","","","","","1.062","","","","has coordinates","220681","2020-10-21","18:00:00",""
"4127405","14.6746","0.001","12.851","0.0006","39.91","0.002","90","","93.387","0.006","90","","7513.2","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77 H110 Al Cl2 K N4 O7 -","- C77 H110 Al Cl2 K N4 O7 -","- C308 H440 Al4 Cl8 K4 N16 O28 -","4","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.1585","0.0803","","","0.171","0.227","","","","","","0.995","","","","has coordinates,has disorder","220682","2020-10-21","18:00:00",""
"4127406","16.515","0.0001","19.7342","0.0001","25.2426","0.0001","90","","97.22","","90","","8161.59","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H119 Al K N4 O7 -","- C86 H119 Al K N4 O7 -","- C344 H476 Al4 K4 N16 O28 -","4","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.0448","0.0418","","","0.1124","0.1155","","","","","","1.036","","","","has coordinates","220683","2020-10-21","18:00:00",""
"4127407","12.0844","0.0003","15.1299","0.0005","18.6922","0.0005","68.703","0.003","89.157","0.002","89.394","0.002","3183.82","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C146 H180 Al2 K2 N4 O2 -","- C146 H180 Al2 K2 N4 O2 -","- C146 H180 Al2 K2 N4 O2 -","1","0.5","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.0534","0.0479","","","0.1312","0.1371","","","","","","1.025","","","","has coordinates,has disorder","220684","2020-10-21","18:00:00",""
"4127408","12.7012","0.0005","15.1963","0.0007","46.196","0.002","90","","90.502","0.004","90","","8916","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H127 Al K N4 O7 -","- C96 H127 Al K N4 O7 -","- C384 H508 Al4 K4 N16 O28 -","4","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.1262","0.0852","","","0.1986","0.2295","","","","","","1.036","","","","has coordinates,has disorder","220685","2020-10-21","18:00:00",""
"4127409","18.8947","0.0002","13.245","0.0001","29.8151","0.0003","90","","94.621","0.001","90","","7437.28","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H110 Al K N4 O7 -","- C77 H110 Al K N4 O7 -","- C308 H440 Al4 K4 N16 O28 -","4","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.0534","0.0409","","","0.1032","0.1139","","","","","","1.022","","","","has coordinates,has disorder","220686","2020-10-21","18:00:00",""
"4127410","6.626","0.0004","19.1358","0.001","24.4346","0.001","90","","90","","90","","3098.2","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H18 Cl2 Sn2 -","- C10 H18 Cl2 Sn2 -","- C80 H144 Cl16 Sn16 -","8","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.0933","0.0504","","","0.1187","0.1665","","","","","","1.005","","","","has coordinates","220687","2020-10-21","18:00:00",""
"4127411","20.5108","0.0002","12.9151","0.0001","29.5577","0.0003","90","","93.09","0.001","90","","7818.42","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83 H116 Al K N4 O7 -","- C83 H116 Al K N4 O7 -","- C332 H464 Al4 K4 N16 O28 -","4","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.062","0.0448","","","0.1125","0.1231","","","","","","1.028","","","","has coordinates,has disorder","220688","2020-10-21","18:00:00",""
"4127412","10.3691","0.0005","17.1035","0.0008","11.0229","0.0005","90","","97.966","0.002","90","","1936.02","0.16","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39.87 H53.87 Cl2.62 N O4 -","- C39.874 H53.874 Cl2.622 N O4 -","- C79.748 H107.748 Cl5.244 N2 O8 -","2","1","","Wen, Saishuai; Boyce, Jonathan H.; Kandappa, Sunil K.; Sivaguru, Jayaraman; Porco, Jr, John A","Regiodivergent Photocyclization of Dearomatized Acylphloroglucinols: Asymmetric Syntheses of (-)-Nemorosone and (-)-6-<i>epi</i>-Garcimultiflorone A.","Journal of the American Chemical Society","2019","141","28","11315","11321","10.1021/jacs.9b05600","","","1.54178","CuKα","","0.0437","0.042","","","0.1177","0.1193","","","","","","1.04","","","","has coordinates,has disorder","220689","2020-10-21","18:00:00",""
"4127413","33.1205","0.001","11.3921","0.0003","25.2617","0.0013","90","","129.951","0.002","90","","7306.8","0.5","100","1","100","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C41 H57 N O4 -","- C41 H57 N O4 -","- C328 H456 N8 O32 -","8","2","","Wen, Saishuai; Boyce, Jonathan H.; Kandappa, Sunil K.; Sivaguru, Jayaraman; Porco, Jr, John A","Regiodivergent Photocyclization of Dearomatized Acylphloroglucinols: Asymmetric Syntheses of (-)-Nemorosone and (-)-6-<i>epi</i>-Garcimultiflorone A.","Journal of the American Chemical Society","2019","141","28","11315","11321","10.1021/jacs.9b05600","","","1.54178","CuKα","","0.0492","0.0411","","","0.1042","0.1095","","","","","","1.058","","","","has coordinates,has disorder","220690","2020-10-21","18:00:00",""
"4127414","10.04169","0.00013","31.9979","0.0003","17.15695","0.00014","90","","98.8434","0.001","90","","5447.22","0.1","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60.82 H58.82 B Cl1.13 Co N7.82 O -","- C60.818 H58.818 B Cl1.13 Co N7.818 O -","- C243.272 H235.272 B4 Cl4.52 Co4 N31.272 O4 -","4","1","","Kumar, Praveen; Lindeman, Sergey V.; Fiedler, Adam T.","Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O<sub>2</sub>.","Journal of the American Chemical Society","2019","141","28","10984","10987","10.1021/jacs.9b05320","","x-ray","1.54184","CuKα","","0.0576","0.0537","","","0.1304","0.1324","","","","","","1.163","","","","has coordinates,has disorder","220691","2020-10-21","18:00:00",""
"4127415","14.9078","0.00014","9.95186","0.00011","37.7389","0.0004","90","","92.4141","0.0009","90","","5593.99","0.1","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61.18 H55.18 B Cl2.2 Co N7.54 O -","- C61.1769 H55.1818 B Cl2.2022 Co N7.538 O -","- C244.708 H220.727 B4 Cl8.8088 Co4 N30.152 O4 -","4","1","","Kumar, Praveen; Lindeman, Sergey V.; Fiedler, Adam T.","Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O<sub>2</sub>.","Journal of the American Chemical Society","2019","141","28","10984","10987","10.1021/jacs.9b05320","","x-ray","1.54184","CuKα","","0.0616","0.0583","","","0.1577","0.1609","","","","","","1.055","","","","has coordinates,has disorder","220691","2020-10-21","18:00:00",""
"4127416","7.63615","0.00004","18.95826","0.00009","26.67111","0.00012","90","","96.6314","0.0004","90","","3835.29","0.03","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 B Co N10 O -","- C35 H53 B Co N10 O -","- C140 H212 B4 Co4 N40 O4 -","4","1","","Kumar, Praveen; Lindeman, Sergey V.; Fiedler, Adam T.","Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O<sub>2</sub>.","Journal of the American Chemical Society","2019","141","28","10984","10987","10.1021/jacs.9b05320","","x-ray","1.54184","CuKα","","0.0335","0.0334","","","0.0863","0.0865","","","","","","1.036","","","","has coordinates","220691","2020-10-21","18:00:00",""
"4127417","9.6841","0.0003","9.7745","0.0003","20.6176","0.0006","87.688","0.002","87.32","0.002","66.582","0.003","1788.39","0.1","100.05","0.1","100.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C33 H49 B Co N9 O3 -","- C33 H49 B Co N9 O3 -","- C66 H98 B2 Co2 N18 O6 -","2","1","","Kumar, Praveen; Lindeman, Sergey V.; Fiedler, Adam T.","Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O<sub>2</sub>.","Journal of the American Chemical Society","2019","141","28","10984","10987","10.1021/jacs.9b05320","","x-ray","1.54184","CuKα","","0.0359","0.0344","","","0.0889","0.0904","","","","","","1.015","","","","has coordinates","220691","2020-10-21","18:00:00",""
"4127418","7.7385","0.0002","10.0689","0.0003","22.2625","0.0006","84.589","0.002","87.358","0.002","68.153","0.003","1602.78","0.08","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H45 B Co N7 O2 -","- C31 H45 B Co N7 O2 -","- C62 H90 B2 Co2 N14 O4 -","2","1","","Kumar, Praveen; Lindeman, Sergey V.; Fiedler, Adam T.","Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O<sub>2</sub>.","Journal of the American Chemical Society","2019","141","28","10984","10987","10.1021/jacs.9b05320","","x-ray","1.54184","CuKα","","0.0285","0.0273","","","0.0694","0.0704","","","","","","1.055","","","","has coordinates","220691","2020-10-21","18:00:00",""
"4127419","22.966","0.0004","22.9639","0.0003","19.8929","0.0003","90","","98.229","0.001","90","","10383.3","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As32 Ga22 Sr15 -","- As32 Ga22 Sr14.9987 -","- As192 Ga132 Sr89.992 -","6","0.75","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.0793","0.0365","","","0.0642","0.0765","","","","","","1.011","","","","has coordinates","220692","2020-10-21","18:00:00",""
"4127420","22.8204","0.0007","22.8257","0.0007","19.7972","0.0006","90","","98.237","0.001","90","","10205.8","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As32 Eu15 Ga22 -","- As32 Eu15 Ga22 -","- As192 Eu90 Ga132 -","6","0.75","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.0926","0.0724","","","0.1573","0.1674","","","","","","1.085","","","","has coordinates","220693","2020-10-21","18:00:00",""
"4127421","23.703","0.002","23.702","0.002","22.337","0.002","90","","113.473","0.002","90","","11510.7","1.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As32 Eu15 In22 -","- As32 Eu15 In22 -","- As192 Eu90 In132 -","6","0.75","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.0749","0.0553","","","0.1499","0.164","","","","","","1.059","","","","has coordinates","220694","2020-10-21","18:00:00",""
"4127422","22.8363","0.0013","22.8335","0.0013","26.8169","0.0015","90","","108.613","0.002","90","","13251.8","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As8 Ga6 Sr3 -","- As8 Ga6 Sr3 -","- As256 Ga192 Sr96 -","32","4","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.1884","0.1159","","","0.3198","0.3773","","","","","","1.067","","","","has coordinates","220695","2020-10-21","18:00:00",""
"4127423","22.74","0.003","22.747","0.003","25.505","0.003","90","","96.393","0.002","90","","13111","3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As8 Eu3 Ga6 -","- As8 Eu3 Ga6 -","- As256 Eu96 Ga192 -","32","4","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.1663","0.1306","","","0.289","0.312","","","","","","1.177","","","","has coordinates","220696","2020-10-21","18:00:00",""
"4127424","23.838","0.005","23.818","0.004","20.763","0.004","90","","98.244","0.006","90","","11667","4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As32 In22 Sr15 -","- As32 In22 Sr15.0027 -","- As192 In132 Sr90.016 -","6","0.75","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.0535","0.0403","","","0.0853","0.0912","","","","","","1.044","","","","has coordinates","220697","2020-10-21","18:00:00",""
"4127425","9.648","0.003","13.538","0.004","17.653","0.005","73.166","0.004","82.859","0.004","79.983","0.004","2166.6","1.1","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H63 F5 Mn N11 O4 -","- C35 H63 F5 Mn N11 O4 -","- C70 H126 F10 Mn2 N22 O8 -","2","1","","Barman, Suman K.; Jones, Jason R.; Sun, Chen; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.","Regulating the Basicity of Metal-Oxido Complexes with a Single Hydrogen Bond and Its Effect on C-H Bond Cleavage.","Journal of the American Chemical Society","2019","141","28","11142","11150","10.1021/jacs.9b03688","","","0.71073","MoKα","","0.1759","0.0931","","","0.2241","0.2745","","","","","","1.039","","","","has coordinates","220698","2020-10-21","18:00:00",""
"4127426","14.9408","0.001","14.9961","0.001","20.1209","0.0013","99.7945","0.0009","105.665","0.0008","94.1267","0.0009","4244.3","0.5","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H103 K4 Mn2 N17 O15 -","- C57 H101 K4 Mn2 N17 O15 -","- C114 H202 K8 Mn4 N34 O30 -","2","1","","Barman, Suman K.; Jones, Jason R.; Sun, Chen; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.","Regulating the Basicity of Metal-Oxido Complexes with a Single Hydrogen Bond and Its Effect on C-H Bond Cleavage.","Journal of the American Chemical Society","2019","141","28","11142","11150","10.1021/jacs.9b03688","","","0.71073","MoKα","","0.1239","0.0873","","","0.2389","0.2666","","","","","","1.035","","","","has coordinates","220699","2020-10-21","18:00:00",""
"4127427","19.2243","0.0006","8.7543","0.0003","9.7102","0.0003","90","","90","","90","","1634.18","0.09","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H12 Br Cl2 N O -","- C18 H12 Br Cl2 N O -","- C72 H48 Br4 Cl8 N4 O4 -","4","1","","Cai, Lingchao; Zhang, Kui; Chen, Shuming; Lepage, Romain J.; Houk, K. N.; Krenske, Elizabeth H.; Kwon, Ohyun","Catalytic Asymmetric Staudinger-aza-Wittig Reaction for the Synthesis of Heterocyclic Amines.","Journal of the American Chemical Society","2019","141","24","9537","9542","10.1021/jacs.9b04803","","","1.54178","CuKα","","0.0175","0.0173","","","0.04","0.0401","","","","","","1.067","","","","has coordinates","220700","2020-10-21","18:00:00",""
"4127428","10.4878","0.0002","26.6111","0.0006","27.2827","0.0006","69.0039","0.0007","87.263","0.0008","89.4717","0.0008","7100.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H52 B Cu F4 N6 O0.5 -","- C33 H52 B Cu F4 N6 O0.5 -","- C264 H416 B8 Cu8 F32 N48 O4 -","8","4","","Filonenko, Georgy A.; Sun, Dapeng; Weber, Manuela; Müller, Christian; Pidko, Evgeny A.","Multicolor Organometallic Mechanophores for Polymer Imaging Driven by Exciplex Level Interactions.","Journal of the American Chemical Society","2019","141","24","9687","9692","10.1021/jacs.9b04121","","","0.71073","MoKα","","0.1098","0.0726","","","0.1747","0.1957","","","","","","1.058","","","","has coordinates","220701","2020-10-21","18:00:00",""
"4127429","13.5651","0.0001","10.4389","0.0001","37.6598","0.0003","90","","95.8111","0.0004","90","","5305.4","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H78 B Cu N6 O -","- C59 H78 B Cu N6 O -","- C236 H312 B4 Cu4 N24 O4 -","4","1","","Filonenko, Georgy A.; Sun, Dapeng; Weber, Manuela; Müller, Christian; Pidko, Evgeny A.","Multicolor Organometallic Mechanophores for Polymer Imaging Driven by Exciplex Level Interactions.","Journal of the American Chemical Society","2019","141","24","9687","9692","10.1021/jacs.9b04121","","","1.54178","CuKα","","0.1112","0.0929","","","0.1934","0.2028","","","","","","1.101","","","","has coordinates","220702","2020-10-21","18:00:00",""
"4127430","11.2381","0.0002","13.6876","0.0002","16.2529","0.0003","78.7901","0.0007","81.5124","0.0007","87.161","0.0007","2424.95","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H68 B Cu N6 -","- C55 H68 B Cu N6 -","- C110 H136 B2 Cu2 N12 -","2","1","","Filonenko, Georgy A.; Sun, Dapeng; Weber, Manuela; Müller, Christian; Pidko, Evgeny A.","Multicolor Organometallic Mechanophores for Polymer Imaging Driven by Exciplex Level Interactions.","Journal of the American Chemical Society","2019","141","24","9687","9692","10.1021/jacs.9b04121","","","0.71073","MoKα","","0.0386","0.0323","","","0.0759","0.0792","","","","","","1.05","","","","has coordinates","220703","2020-10-21","18:00:00",""
"4127431","10.7234","0.0001","45.5153","0.0004","14.3298","0.0001","90","","108.898","0.0004","90","","6617.06","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 B Cu F4 N6 -","- C31 H48 B Cu F4 N6 -","- C248 H384 B8 Cu8 F32 N48 -","8","2","","Filonenko, Georgy A.; Sun, Dapeng; Weber, Manuela; Müller, Christian; Pidko, Evgeny A.","Multicolor Organometallic Mechanophores for Polymer Imaging Driven by Exciplex Level Interactions.","Journal of the American Chemical Society","2019","141","24","9687","9692","10.1021/jacs.9b04121","","","1.54178","CuKα","","0.0699","0.0483","","","0.1069","0.1165","","","","","","1.026","","","","has coordinates","220704","2020-10-21","18:00:00",""
"4127432","8.2708","0.0012","8.2708","0.0012","24.919","0.004","90","","90","","120","","1476.2","0.4","296","2","296.15","","","","","","","","","5","P 63/m","-P 6c","176","","","","- B20 Eu9 Mg O41 S2 -","- B20 Eu9 Mg O41 S2 -","- B40 Eu18 Mg2 O82 S4 -","2","0.166667","","Chi, Yang; Xu, Jing; Xue, Huai-Guo; Zhang, Yueping; Chen, Xiaolong; Whangbo, Myung-Hwan; Guo, Sheng-Ping; Deng, Shuiquan","Triple-Kagomé-Layer Slabs of Mixed-Valence Rare-Earth Ions Exhibiting Quantum Spin Liquid Behaviors: Synthesis and Characterization of Eu<sub>9</sub>MgS<sub>2</sub>B<sub>20</sub>O<sub>41</sub>.","Journal of the American Chemical Society","2019","141","24","9533","9536","10.1021/jacs.9b04627","","","0.71073","MoKα","","0.0248","0.0244","","","0.05","0.0502","","","","","","1.014","","","","has coordinates","220705","2020-10-21","18:00:00",""
"4127433","15.009","0.002","19.593","0.003","22.379","0.003","96.761","0.004","101.558","0.004","98.432","0.004","6304","1.5","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C82.24 H134.13 Ag15 Cl F17 N10.64 O19.64 S8 -","- C82.2454 H132.128 Ag15 Cl F17.0001 N10.6373 O19.6373 S8 -","- C164.491 H264.256 Ag30 Cl2 F34.0002 N21.2746 O39.2746 S16 -","2","1","","Alhilaly, Mohammad J.; Huang, Ren-Wu; Naphade, Rounak; Alamer, Badriah; Hedhili, Mohamed Nejib; Emwas, Abdul-Hamid; Maity, Partha; Yin, Jun; Shkurenko, Aleksander; Mohammed, Omar F.; Eddaoudi, Mohamed; Bakr, Osman M.","Assembly of Atomically Precise Silver Nanoclusters into Nanocluster-Based Frameworks.","Journal of the American Chemical Society","2019","141","24","9585","9592","10.1021/jacs.9b02486","","","0.71073","MoKα","","0.0737","0.0688","","","0.1704","0.1729","","","","","","1.091","","","","has coordinates,has disorder","220706","2020-10-21","18:00:00",""
"4127434","14.871","0.001","15.265","0.001","31.209","0.003","76.925","0.002","88.638","0.002","61.957","0.002","6062.6","0.8","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C71 H109 Ag14 Cl F15 N7 O13 S8 -","- C71 H109 Ag14 Cl F15.003 N7 O13 S8 -","- C142 H218 Ag28 Cl2 F30.006 N14 O26 S16 -","2","1","","Alhilaly, Mohammad J.; Huang, Ren-Wu; Naphade, Rounak; Alamer, Badriah; Hedhili, Mohamed Nejib; Emwas, Abdul-Hamid; Maity, Partha; Yin, Jun; Shkurenko, Aleksander; Mohammed, Omar F.; Eddaoudi, Mohamed; Bakr, Osman M.","Assembly of Atomically Precise Silver Nanoclusters into Nanocluster-Based Frameworks.","Journal of the American Chemical Society","2019","141","24","9585","9592","10.1021/jacs.9b02486","","","0.71073","MoKα","","0.0704","0.0615","","","0.1454","0.1499","","","","","","1.034","","","","has coordinates,has disorder","220707","2020-10-21","18:00:00",""
"4127435","19.697","0.001","22.605","0.001","49.495","0.002","90","","99.406","0.001","90","","21741.4","1.7","120","0.1","120","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C62.5 H112.5 Ag16 Cl F21 N5.5 O20.5 S8 -","- C62.5 H112.5 Ag16 Cl F21 N5.5 O20.5 S8 -","- C500 H900 Ag128 Cl8 F168 N44 O164 S64 -","8","1","","Alhilaly, Mohammad J.; Huang, Ren-Wu; Naphade, Rounak; Alamer, Badriah; Hedhili, Mohamed Nejib; Emwas, Abdul-Hamid; Maity, Partha; Yin, Jun; Shkurenko, Aleksander; Mohammed, Omar F.; Eddaoudi, Mohamed; Bakr, Osman M.","Assembly of Atomically Precise Silver Nanoclusters into Nanocluster-Based Frameworks.","Journal of the American Chemical Society","2019","141","24","9585","9592","10.1021/jacs.9b02486","","","0.71073","MoKα","","0.0722","0.0689","","","0.1678","0.1701","","","","","","1.167","","","","has coordinates,has disorder","220708","2020-10-21","18:00:00",""
"4127436","5.9675","0.0003","11.0636","0.0005","16.9266","0.0008","80.064","0.002","89.981","0.002","75.078","0.002","1062.5","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20.15 H27.88 Cl1.42 N O5 S -","- C20.152 H27.88 Cl1.424 N O5 S -","- C40.304 H55.76 Cl2.848 N2 O10 S2 -","2","1","","Ma, Rulin; Young, Jonathon; Promontorio, Rossella; Dannheim, Friederike M.; Pattillo, Christopher C.; White, M. Christina","Synthesis of anti-1,3 Amino Alcohol Motifs via Pd(II)/SOX Catalysis with the Capacity for Stereodivergence.","Journal of the American Chemical Society","2019","141","24","9468","9473","10.1021/jacs.9b02690","","","0.71073","MoKα","","0.0715","0.0644","","","0.1853","0.1951","","","","","","1.057","","","","has coordinates,has disorder","220709","2020-10-21","18:00:00",""
"4127437","5.9677","0.0003","11.8753","0.0006","15.0703","0.0007","106.578","0.002","100.198","0.002","104.47","0.002","954.99","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C32 H42 N2 O8 S2 -","2","1","","Ma, Rulin; Young, Jonathon; Promontorio, Rossella; Dannheim, Friederike M.; Pattillo, Christopher C.; White, M. Christina","Synthesis of anti-1,3 Amino Alcohol Motifs via Pd(II)/SOX Catalysis with the Capacity for Stereodivergence.","Journal of the American Chemical Society","2019","141","24","9468","9473","10.1021/jacs.9b02690","","","0.71073","MoKα","","0.0469","0.0388","","","0.0963","0.1008","","","","","","1.068","","","","has coordinates","220710","2020-10-21","18:00:00",""
"4127438","9.4161","0.0002","14.164","0.0002","15.0633","0.0003","90","","90","","90","","2008.99","0.07","170","2","169.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Wang, Qiang; Cai, Zhong-Jian; Liu, Chen-Xu; Gu, Qing; You, Shu-Li","Rhodium-Catalyzed Atroposelective C-H Arylation: Efficient Synthesis of Axially Chiral Heterobiaryls.","Journal of the American Chemical Society","2019","141","24","9504","9510","10.1021/jacs.9b03862","","","1.34139","GaKα","","0.0347","0.0335","","","0.085","0.0861","","","","","","1.075","","","","has coordinates","220711","2020-10-21","18:00:00",""
"4127439","9.8196","0.0016","16.119","0.003","18.203","0.003","105.095","0.006","92.986","0.006","98.258","0.005","2740.8","0.8","150.02","","150.02","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H80 N6 O -","- C63 H80 N6 O -","- C126 H160 N12 O2 -","2","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0714","0.0514","","","0.1356","0.1486","","","","","","1.035","","","","has coordinates,has disorder","220712","2020-10-21","18:00:00",""
"4127440","20.8294","0.0012","9.35","0.0005","19.8493","0.0017","90","","117.348","0.002","90","","3433.7","0.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N -","- C20 H28 N -","- C160 H224 N8 -","8","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.046","0.0417","","","0.109","0.1124","","","","","","1.054","","","","has coordinates","220713","2020-10-21","18:00:00",""
"4127441","8.8369","0.0006","34.229","0.002","16.6943","0.0011","90","","101.045","0.002","90","","4956.1","0.6","99.98","","99.98","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C29 H35 N3 -","- C29 H35 N3 -","- C232 H280 N24 -","8","2","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","1.54178","CuKα","","0.032","0.0311","","","0.1029","0.1094","","","","","","1.071","","","","has coordinates","220714","2020-10-21","18:00:00",""
"4127442","27.636","0.008","9.669","0.003","15.648","0.006","90","","91.294","0.013","90","","4180","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C47 H65 N3 O -","- C47 H65 N3 O -","- C188 H260 N12 O4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0715","0.0682","","","0.1856","0.1886","","","","","","1.047","","","","has coordinates,has disorder","220715","2020-10-21","18:00:00",""
"4127443","22.9103","0.0012","16.2048","0.0008","8.2525","0.0005","90","","92.611","0.002","90","","3060.6","0.3","99.97","","99.97","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 N3 -","- C36 H41 N3 -","- C144 H164 N12 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.044","0.0407","","","0.1093","0.112","","","","","","1.031","","","","has coordinates,has disorder","220716","2020-10-21","18:00:00",""
"4127444","18.13","0.009","18.914","0.007","13.58","0.005","90","","106.596","0.016","90","","4463","3","99.97","","99.97","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H55 F6 N3 O0.5 Sb -","- C50 H55 F6 N3 O0.5 Sb -","- C200 H220 F24 N12 O2 Sb4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0436","0.0304","","","0.0652","0.0705","","","","","","1.024","","","","has coordinates,has disorder","220717","2020-10-21","18:00:00",""
"4127445","9.1359","0.0015","15.748","0.003","16.691","0.003","103.818","0.005","96.832","0.005","96.26","0.005","2291.7","0.7","100.02","","100.02","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H63 N3 O3 -","- C55 H63 N3 O3 -","- C110 H126 N6 O6 -","2","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0493","0.0465","","","0.1296","0.1325","","","","","","1.045","","","","has coordinates","220718","2020-10-21","18:00:00",""
"4127446","9.8395","0.0006","18.5942","0.001","15.5356","0.0007","90","","108.171","0.002","90","","2700.6","0.3","99.97","","99.97","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 F6 N3 Sb -","- C27 H31 F6 N3 Sb -","- C108 H124 F24 N12 Sb4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0301","0.0281","","","0.0639","0.0651","","","","","","1.072","","","","has coordinates,has disorder","220719","2020-10-21","18:00:00",""
"4127447","19.391","0.01","10.649","0.004","21.807","0.008","90","","107.848","0.015","90","","4286","3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H59 N3 O -","- C52 H59 N3 O -","- C208 H236 N12 O4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0801","0.0555","","","0.1417","0.1572","","","","","","1.029","","","","has coordinates,has disorder","220720","2020-10-21","18:00:00",""
"4127448","11.7476","0.0008","16.1366","0.0013","20.0336","0.0017","86.506","0.003","74.026","0.003","81.296","0.003","3608.3","0.5","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H90 F12 N6 O3.5 Sb2 -","- C69 H90 F12 N6 O3.5 Sb2 -","- C138 H180 F24 N12 O7 Sb4 -","2","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0645","0.0579","","","0.1529","0.1582","","","","","","1.07","","","","has coordinates,has disorder","220721","2020-10-21","18:00:00",""
"4127449","14.307","0.001","16.3038","0.0009","17.6125","0.0012","90","","97.746","0.002","90","","4070.8","0.5","99.99","","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H40 F9 N3 Sb -","- C45 H40 F9 N3 Sb -","- C180 H160 F36 N12 Sb4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0248","0.023","","","0.0604","0.062","","","","","","1.056","","","","has coordinates,has disorder","220722","2020-10-21","18:00:00",""
"4127450","18.9227","0.0005","15.8869","0.0005","23.304","0.0006","90","","90","","90","","7005.7","0.3","99.99","","99.99","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C41 H51 N3 -","- C41 H51 N3 -","- C328 H408 N24 -","8","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","1.54178","CuKα","","0.0379","0.035","","","0.088","0.0903","","","","","","1.026","","","","has coordinates,has disorder","220723","2020-10-21","18:00:00",""
"4127451","12.2157","0.0013","23.396","0.003","28.355","0.003","90","","90.759","0.004","90","","8103.1","1.6","200","","200","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C49 H60 N2 -","- C49 H60 N2 -","- C392 H480 N16 -","8","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0665","0.0512","","","0.1335","0.144","","","","","","1.03","","","","has coordinates","220724","2020-10-21","18:00:00",""
"4127452","17.1588","0.0007","13.8404","0.0006","22.8193","0.0012","90","","108.372","0.001","90","","5143","0.4","100.03","","100.03","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H67 F12 N3 O4 Sb2 -","- C45 H67 F12 N3 O4 Sb2 -","- C180 H268 F48 N12 O16 Sb8 -","4","0.5","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0236","0.0226","","","0.0601","0.0609","","","","","","1.071","","","","has coordinates,has disorder","220725","2020-10-21","18:00:00",""
"4127453","15.9721","0.0018","18.65","0.002","17.0396","0.0017","90","","100.96","0.003","90","","4983.2","0.9","100.04","","99.95","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H70 N6 O -","- C58 H70 N6 O -","- C232 H280 N24 O4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0595","0.0469","","","0.1354","0.1472","","","","","","1.026","","","","has coordinates,has disorder","220726","2020-10-21","18:00:00",""
"4127454","10.0127","0.0002","13.6575","0.0002","30.8925","0.0005","90","","90","","90","","4224.5","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 I N3 O2 Rh -","- C42 H33 I N3 O2 Rh -","- C168 H132 I4 N12 O8 Rh4 -","4","1","","Tian, Miaomiao; Bai, Dachang; Zheng, Guangfan; Chang, Junbiao; Li, Xingwei","Rh(III)-Catalyzed Asymmetric Synthesis of Axially Chiral Biindolyls by Merging C-H Activation and Nucleophilic Cyclization.","Journal of the American Chemical Society","2019","141","24","9527","9532","10.1021/jacs.9b04711","","","0.71073","MoKα","","0.0827","0.0484","","","0.1536","0.1837","","","","","","0.646","","","","has coordinates","220727","2020-10-21","18:00:00",""
"4127455","9.417","0.0003","10.9955","0.0004","15.6189","0.0006","90","","102.744","0.001","90","","1577.41","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H30 N4 O2 S -","- C40 H30 N4 O2 S -","- C80 H60 N8 O4 S2 -","2","1","","Tian, Miaomiao; Bai, Dachang; Zheng, Guangfan; Chang, Junbiao; Li, Xingwei","Rh(III)-Catalyzed Asymmetric Synthesis of Axially Chiral Biindolyls by Merging C-H Activation and Nucleophilic Cyclization.","Journal of the American Chemical Society","2019","141","24","9527","9532","10.1021/jacs.9b04711","","","0.71073","MoKα","","0.045","0.0358","","","0.0857","0.0925","","","","","","1.021","","","","has coordinates","220728","2020-10-21","18:00:00",""
"4127456","9.8876","0.0005","13.0506","0.0007","18.7229","0.001","69.6938","0.0016","89.6815","0.0015","80.3472","0.0015","2230.1","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Heptabenzo[a,d,g,j,m,p,s][7]circulene","","- C58.5 H30.5 Cl7.5 -","- C58.5 H29 Cl7.5 -","- C117 H58 Cl15 -","2","1","","Pun, Sai Ho; Wang, Yujing; Chu, Ming; Chan, Chi Kit; Li, Yuke; Liu, Zhifeng; Miao, Qian","Synthesis, Structures, and Properties of Heptabenzo[7]circulene and Octabenzo[8]circulene.","Journal of the American Chemical Society","2019","141","24","9680","9686","10.1021/jacs.9b03910","","","0.71073","MoKα","","0.1234","0.0939","","","0.2571","0.2873","","","","","","1.032","","","","has coordinates,has disorder","220729","2020-10-21","18:00:00",""
"4127457","20.4908","0.0014","20.5122","0.0014","29.522","0.002","90","","96.355","0.004","90","","12332.2","1.5","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,11,18,27-Tetra(tert-butyl)octabenzo[a, d, g, j, m, p, s, v][8]circulene","","- C82 H64 S4 -","- C82 H64 S4 -","- C656 H512 S32 -","8","1","","Pun, Sai Ho; Wang, Yujing; Chu, Ming; Chan, Chi Kit; Li, Yuke; Liu, Zhifeng; Miao, Qian","Synthesis, Structures, and Properties of Heptabenzo[7]circulene and Octabenzo[8]circulene.","Journal of the American Chemical Society","2019","141","24","9680","9686","10.1021/jacs.9b03910","","","0.71073","MoKα","","0.1776","0.1505","","","0.3529","0.3719","","","","","","1.144","","","","has coordinates","220730","2020-10-21","18:00:00",""
"4127458","10.496","0.0005","13.6381","0.0008","15.8459","0.0006","90","","90","","90","","2268.27","0.19","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O4 S -","- C26 H33 N O4 S -","- C104 H132 N4 O16 S4 -","4","1","","Nie, Wei; Gong, Jing; Chen, Zhihao; Liu, Jiazhen; Tian, Di; Song, Hao; Liu, Xiao-Yu; Qin, Yong","Enantioselective Total Synthesis of (-)-Arcutinine.","Journal of the American Chemical Society","2019","141","24","9712","9718","10.1021/jacs.9b04847","","x-ray","0.71073","MoKα","","0.074","0.0467","","","0.0835","0.0927","","","","","","0.99","","","","has coordinates","220731","2020-10-21","18:00:00",""
"4127459","8.0004","0.0004","19.6229","0.0008","16.3447","0.0007","90","","90.793","0.004","90","","2565.7","0.2","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 N O6 S -","- C28 H35 N O6 S -","- C112 H140 N4 O24 S4 -","4","1","","Nie, Wei; Gong, Jing; Chen, Zhihao; Liu, Jiazhen; Tian, Di; Song, Hao; Liu, Xiao-Yu; Qin, Yong","Enantioselective Total Synthesis of (-)-Arcutinine.","Journal of the American Chemical Society","2019","141","24","9712","9718","10.1021/jacs.9b04847","","x-ray","0.71073","MoKα","","0.1113","0.0739","","","0.1542","0.1735","","","","","","1.045","","","","has coordinates","220732","2020-10-21","18:00:00",""
"4127460","13.3161","0.0012","13.3539","0.0005","15.3167","0.001","90","","110.123","0.009","90","","2557.4","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 N O6 S -","- C28 H35 N O6 S -","- C112 H140 N4 O24 S4 -","4","1","","Nie, Wei; Gong, Jing; Chen, Zhihao; Liu, Jiazhen; Tian, Di; Song, Hao; Liu, Xiao-Yu; Qin, Yong","Enantioselective Total Synthesis of (-)-Arcutinine.","Journal of the American Chemical Society","2019","141","24","9712","9718","10.1021/jacs.9b04847","","x-ray","0.71073","MoKα","","0.0903","0.0571","","","0.1382","0.1617","","","","","","1.032","","","","has coordinates","220733","2020-10-21","18:00:00",""
"4127461","13.3401","0.0007","13.3739","0.0006","15.3218","0.0008","90","","110.106","0.006","90","","2567","0.2","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 N O6 S -","- C28 H35 N O6 S -","- C112 H140 N4 O24 S4 -","4","1","","Nie, Wei; Gong, Jing; Chen, Zhihao; Liu, Jiazhen; Tian, Di; Song, Hao; Liu, Xiao-Yu; Qin, Yong","Enantioselective Total Synthesis of (-)-Arcutinine.","Journal of the American Chemical Society","2019","141","24","9712","9718","10.1021/jacs.9b04847","","x-ray","0.71073","MoKα","","0.0865","0.0542","","","0.1186","0.1371","","","","","","1.031","","","","has coordinates","220734","2020-10-21","18:00:00",""
"4127462","7.1517","0.0004","9.9719","0.0007","21.5377","0.0013","90","","98.474","0.006","90","","1519.21","0.17","292.27","0.1","292.27","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 -","- C17 H24 N2 -","- C68 H96 N8 -","4","1","","Zhang, Bo-Sheng; Li, Yuke; Zhang, Zhe; An, Yang; Wen, Yu-Hua; Gou, Xue-Ya; Quan, Si-Qi; Wang, Xin-Gang; Liang, Yong-Min","Synthesis of C4-Aminated Indoles via a Catellani and Retro-Diels-Alder Strategy.","Journal of the American Chemical Society","2019","141","24","9731","9738","10.1021/jacs.9b05009","","","0.71073","MoKα","","0.1142","0.0657","","","0.1517","0.1812","","","","","","1.076","","","","has coordinates","220735","2020-10-21","18:00:00",""
"4127463","9.9395","0.0007","11.314","0.0006","13.5788","0.0008","85.587","0.005","88.88","0.005","73.47","0.006","1459.56","0.16","292","0.1","292","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","2","","Zhang, Bo-Sheng; Li, Yuke; Zhang, Zhe; An, Yang; Wen, Yu-Hua; Gou, Xue-Ya; Quan, Si-Qi; Wang, Xin-Gang; Liang, Yong-Min","Synthesis of C4-Aminated Indoles via a Catellani and Retro-Diels-Alder Strategy.","Journal of the American Chemical Society","2019","141","24","9731","9738","10.1021/jacs.9b05009","","","0.71073","MoKα","","0.1013","0.0595","","","0.1279","0.1574","","","","","","1.056","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4127464","10.2386","0.0001","23.8719","0.0002","11.734","0.0001","90","","90","","90","","2867.96","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C30 H36 Co F6 N2 O2 -","- C30 H36 Co F6 N2 O2 -","- C120 H144 Co4 F24 N8 O8 -","4","0.5","","Ye, Ke-Yin; McCallum, Terry; Lin, Song","Bimetallic Radical Redox-Relay Catalysis for the Isomerization of Epoxides to Allylic Alcohols.","Journal of the American Chemical Society","2019","141","24","9548","9554","10.1021/jacs.9b04993","","x-ray","0.71073","MoKα","","0.0198","0.0194","","","0.0511","0.0512","","","","","","1.047","","","","has coordinates","220737","2020-10-21","18:00:00",""
"4127465","11.9919","0.0011","13.763","0.0009","25.905","0.002","89.286","0.004","87.757","0.004","79.589","0.004","4201.8","0.6","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C83.75 H76 F6 Fe4 N15 O5.5 P -","- C83.75 H76 F6 Fe4 N15 O5.5 P -","- C167.5 H152 F12 Fe8 N30 O11 P2 -","2","1","","Reed, Christopher J.; Agapie, Theodor","A Terminal Fe<sup>III</sup>-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity.","Journal of the American Chemical Society","2019","141","24","9479","9484","10.1021/jacs.9b03157","","","1.54178","CuKα","","0.082","0.0685","","","0.1738","0.1844","","","","","","1.029","","","","has coordinates,has disorder","220738","2020-10-21","18:00:00",""
"4127466","19.122","0.009","18.204","0.005","24.698","0.006","90","","90","","90","","8597","5","100","2","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C91 H99 F3 Fe4 N15 O11 S -","- C91 H99 F3 Fe4 N15 O11 S -","- C364 H396 F12 Fe16 N60 O44 S4 -","4","1","","Reed, Christopher J.; Agapie, Theodor","A Terminal Fe<sup>III</sup>-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity.","Journal of the American Chemical Society","2019","141","24","9479","9484","10.1021/jacs.9b03157","","","1.54178","CuKα","","0.0942","0.073","","","0.1346","0.144","","","","","","1.061","","","","has coordinates","220738","2020-10-21","18:00:00",""
"4127467","14.1115","0.0011","15.0509","0.0011","21.1556","0.0016","70.794","0.003","86.911","0.003","70.57","0.003","3993.7","0.5","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H88 Fe4 N15 O5 -","- C90 H88 Fe4 N15 O5 -","- C180 H176 Fe8 N30 O10 -","2","1","","Reed, Christopher J.; Agapie, Theodor","A Terminal Fe<sup>III</sup>-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity.","Journal of the American Chemical Society","2019","141","24","9479","9484","10.1021/jacs.9b03157","","","0.71073","MoKα","","0.0606","0.0412","","","0.098","0.1079","","","","","","1.019","","","","has coordinates","220738","2020-10-21","18:00:00",""
"4127468","12.3162","0.0013","15.5743","0.0015","21.6599","0.0015","102.37","0.006","94.445","0.004","102.897","0.009","3921.5","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H87 Fe4 N15 O5 -","- C90 H87 Fe4 N15 O5 -","- C180 H174 Fe8 N30 O10 -","2","1","","Reed, Christopher J.; Agapie, Theodor","A Terminal Fe<sup>III</sup>-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity.","Journal of the American Chemical Society","2019","141","24","9479","9484","10.1021/jacs.9b03157","","","1.54178","CuKα","","0.0509","0.04","","","0.0954","0.1018","","","","","","1.012","","","","has coordinates,has disorder","220738","2020-10-21","18:00:00",""
"4127469","12.15","0.002","14.975","0.005","23.386","0.006","95.271","0.014","90.124","0.012","104.174","0.019","4106.7","1.9","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C80 H76 F6 Fe4 N15 O11 S2 -","- C80 H76 F6 Fe4 N15 O11 S2 -","- C160 H152 F12 Fe8 N30 O22 S4 -","2","1","","Reed, Christopher J.; Agapie, Theodor","A Terminal Fe<sup>III</sup>-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity.","Journal of the American Chemical Society","2019","141","24","9479","9484","10.1021/jacs.9b03157","","","1.54178","CuKα","","0.0422","0.0375","","","0.0941","0.0963","","","","","","1.057","","","","has coordinates,has disorder","220738","2020-10-21","18:00:00",""
"4127470","9.33848","0.00014","7.41455","0.00012","9.7064","0.00015","90","","91.6489","0.0014","90","","671.799","0.018","150","0.1","150","0.1","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","(S)-11a-hydroxy-7-methoxy-1,2,3,10,11,11a-hexahydro-5H- dibenzo[a,d][7]annulen-5-one","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","","Mato, Raquel; Manzano, Rubén; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Vicario, Jose L.","Catalytic Enantioselective Transannular Morita-Baylis-Hillman Reaction.","Journal of the American Chemical Society","2019","141","24","9495","9499","10.1021/jacs.9b03679","","","1.54184","CuKα","","0.0246","0.0244","","","0.0643","0.0644","","","","","","1.022","","","","has coordinates","220739","2020-10-21","18:00:00",""
"4127471","5.36038","0.0001","7.31242","0.0001","12.53807","0.00018","90","","90.2082","0.0015","90","","491.456","0.013","150","0.1","150","0.1","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","(R,Z)-7-methylcyclodec-2-ene-1,6-dione","","- C11 H16 O2 -","- C11 H16 O2 -","- C22 H32 O4 -","2","1","","Mato, Raquel; Manzano, Rubén; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Vicario, Jose L.","Catalytic Enantioselective Transannular Morita-Baylis-Hillman Reaction.","Journal of the American Chemical Society","2019","141","24","9495","9499","10.1021/jacs.9b03679","","","1.54184","CuKα","","0.0312","0.0307","","","0.0796","0.0801","","","","","","1.056","","","","has coordinates","220740","2020-10-21","18:00:00",""
"4127472","7.12324","0.00007","8.00568","0.00007","17.09534","0.00015","90","","90","","90","","974.885","0.015","150","0.1","150","0.1","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","(8S,8aS)-8a-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydroazulen-4(1H)-one","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","","Mato, Raquel; Manzano, Rubén; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Vicario, Jose L.","Catalytic Enantioselective Transannular Morita-Baylis-Hillman Reaction.","Journal of the American Chemical Society","2019","141","24","9495","9499","10.1021/jacs.9b03679","","","1.54184","CuKα","","0.0285","0.0279","","","0.0732","0.0737","","","","","","1.026","","","","has coordinates","220741","2020-10-21","18:00:00",""
"4127473","14.26268","0.00013","17.70163","0.00018","21.97679","0.00018","90","","91.5652","0.0008","90","","5546.47","0.09","140.01","0.1","140.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H162 K2 O26 Si6 U2 -","- C73 H162 K2 O26 Si6 U2 -","- C146 H324 K4 O52 Si12 U4 -","2","0.5","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.0556","0.0532","","","0.143","0.146","","","","","","1.038","","","","has coordinates,has disorder","220742","2020-10-21","18:00:00",""
"4127474","13.5015","0.0003","18.6524","0.0005","45.9564","0.0012","90","","90","","90","","11573.4","0.5","140","0.1","140","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75 H163 K2 O31 Si6 U2 -","- C75 H163 K2 O31 Si6 U2 -","- C300 H652 K8 O124 Si24 U8 -","4","1","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.0873","0.0582","","","0.1267","0.1432","","","","","","0.964","","","","has coordinates,has disorder","220743","2020-10-21","18:00:00",""
"4127475","23.8521","0.0007","13.9941","0.0004","33.379","0.0008","90","","94.406","0.002","90","","11108.6","0.5","139.99","0.1","139.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H170 K2 N2 O25 Si6 U2 -","- C76 H170 K2 N2 O25 Si6 U2 -","- C304 H680 K8 N8 O100 Si24 U8 -","4","1","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.1268","0.0976","","","0.2384","0.2647","","","","","","1.08","","","","has coordinates,has disorder","220744","2020-10-21","18:00:00",""
"4127476","14.203","0.0003","17.5377","0.0004","25.3851","0.0004","78.8955","0.0018","88.5451","0.0015","68.93","0.002","5783.3","0.2","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C79 H172 K2 O25 Si6 U2 -","- C79 H172 K2 O25 Si6 U2 -","- C158 H344 K4 O50 Si12 U4 -","2","1","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.0465","0.0435","","","0.129","0.1311","","","","","","1.048","","","","has coordinates,has disorder","220745","2020-10-21","18:00:00",""
"4127477","13.9751","0.0002","18.1064","0.0003","22.0854","0.0005","90","","93.337","0.002","90","","5578.99","0.18","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H166 K2 O26 Si6 U2 -","- C73 H166 K2 O26 Si6 U2 -","- C146 H332 K4 O52 Si12 U4 -","2","1","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.0477","0.0454","","","0.1192","0.1221","","","","","","1.042","","","","has coordinates,has disorder","220746","2020-10-21","18:00:00",""
"4127478","16.496","0.003","16.181","0.003","34.167","0.005","90","","92.685","0.002","90","","9110","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H27 N4 O13 Ti3.5 -","- C50 H27 N4 O13 Ti3.5 -","- C200 H108 N16 O52 Ti14 -","4","1","","Lan, Guangxu; Ni, Kaiyuan; Veroneau, Samuel S.; Feng, Xuanyu; Nash, Geoffrey T.; Luo, Taokun; Xu, Ziwan; Lin, Wenbin","Titanium-Based Nanoscale Metal-Organic Framework for Type I Photodynamic Therapy.","Journal of the American Chemical Society","2019","141","10","4204","4208","10.1021/jacs.8b13804","","x-ray","0.41328","synchrotron","","0.1532","0.1439","","","0.3692","0.3767","","","","","","1.062","","","","has coordinates","220747","2020-10-21","18:00:00",""
"4127479","7.5724","0.0004","11.7573","0.0006","29.8975","0.0014","90","","91.0303","0.0016","90","","2661.4","0.2","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H12.5 B10 F3.5 N O -","- C4 H12.5 B10 F3.5 N O -","- C32 H100 B80 F28 N8 O8 -","8","1","","Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei","Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via ""Cage-Walking"" Strategy.","Journal of the American Chemical Society","2019","141","10","4219","4224","10.1021/jacs.9b00302","","","0.71073","MoKα","","0.071","0.0566","","","0.1541","0.1655","","","","","","1.04","","","","has coordinates","220748","2020-10-21","18:00:00",""
"4127480","7.259","0.002","13.814","0.004","15.014","0.005","81.928","0.008","80.42","0.009","83.744","0.009","1464.2","0.8","172","2","172","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H29 B10 F3 N4 O4 Pd S -","- C21 H29 B10 F3 N4 O4 Pd S -","- C42 H58 B20 F6 N8 O8 Pd2 S2 -","2","1","","Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei","Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via ""Cage-Walking"" Strategy.","Journal of the American Chemical Society","2019","141","10","4219","4224","10.1021/jacs.9b00302","","","0.71073","MoKα","","0.0873","0.0702","","","0.1625","0.1781","","","","","","1.108","","","","has coordinates","220749","2020-10-21","18:00:00",""
"4127481","18.0714","0.0015","18.635","0.0015","21.9499","0.0019","111.875","0.002","92.237","0.003","118.324","0.002","5823.9","0.9","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 B10 Cl3 N O -","- C22 H24 B10 Cl3 N O -","- C176 H192 B80 Cl24 N8 O8 -","8","4","","Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei","Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via ""Cage-Walking"" Strategy.","Journal of the American Chemical Society","2019","141","10","4219","4224","10.1021/jacs.9b00302","","","0.71073","MoKα","","0.1712","0.0861","","","0.2824","0.3306","","","","","","1.073","","","","has coordinates,has disorder","220750","2020-10-21","18:00:00",""
"4127482","10.2815","0.0006","12.6911","0.0007","13.9103","0.0008","92.039","0.003","109.668","0.003","104.582","0.003","1639.64","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H18 B10 Cl N O -","- C10 H18 B10 Cl N O -","- C40 H72 B40 Cl4 N4 O4 -","4","2","","Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei","Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via ""Cage-Walking"" Strategy.","Journal of the American Chemical Society","2019","141","10","4219","4224","10.1021/jacs.9b00302","","","0.71073","MoKα","","0.0658","0.0508","","","0.1338","0.1458","","","","","","1.048","","","","has coordinates","220751","2020-10-21","18:00:00",""
"4127483","13.1958","0.0007","13.599","0.0007","17.6921","0.001","106.695","0.0015","90.9955","0.0017","92.0205","0.0016","3037.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H23 B10 N O -","- C12 H23 B10 N O -","- C72 H138 B60 N6 O6 -","6","3","","Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei","Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via ""Cage-Walking"" Strategy.","Journal of the American Chemical Society","2019","141","10","4219","4224","10.1021/jacs.9b00302","","","0.71073","MoKα","","0.1202","0.0832","","","0.2171","0.2401","","","","","","1.058","","","","has coordinates","220752","2020-10-21","18:00:00",""
"4127484","17.735","0.01","12.563","0.006","13.175","0.008","90","","131.204","0.009","90","","2209","2","113","","113","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C18 H28 Cl N2 P2 V -","- C18 H28 Cl N2 P2 V -","- C72 H112 Cl4 N8 P8 V4 -","4","1","","Kawakita, Kento; Beaumier, Evan P.; Kakiuchi, Yuya; Tsurugi, Hayato; Tonks, Ian A.; Mashima, Kazushi","Bis(imido)vanadium(V)-Catalyzed [2+2+1] Coupling of Alkynes and Azobenzenes Giving Multisubstituted Pyrroles.","Journal of the American Chemical Society","2019","141","10","4194","4198","10.1021/jacs.8b13390","","","0.71075","MoKα","","0.0507","0.0346","","","0.0548","0.0592","","","","","","1.054","","","","has coordinates","220753","2020-10-21","18:00:00",""
"4127485","5.1733","0.0007","21.213","0.003","17.838","0.002","90","","97.186","0.003","90","","1942.2","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N O2 -","- C22 H24 Br N O2 -","- C88 H96 Br4 N4 O8 -","4","2","","Cao, Min; Yesilcimen, Ahmet; Wasa, Masayuki","Enantioselective Conia-Ene-Type Cyclizations of Alkynyl Ketones through Cooperative Action of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>, N-Alkylamine and a Zn-Based Catalyst.","Journal of the American Chemical Society","2019","141","10","4199","4203","10.1021/jacs.8b13757","","","1.54178","CuKα","","0.0221","0.022","","","0.0569","0.057","","","","","","1.08","","","","has coordinates","220754","2020-10-21","18:00:00",""
"4127486","12.42","0.0006","12.666","0.0006","14.5678","0.0008","77.775","0.002","89.028","0.002","86.844","0.002","2236.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H52.73 Au B Cl2 F4 N4 O7.37 -","- C38 H52 Au B Cl2 F4 N4 O7.372 -","- C76 H104 Au2 B2 Cl4 F8 N8 O14.744 -","2","1","","Kim, Suhong; Toste, F. Dean","Mechanism of Photoredox-Initiated C-C and C-N Bond Formation by Arylation of IPrAu(I)-CF<sub>3</sub> and IPrAu(I)-Succinimide.","Journal of the American Chemical Society","2019","141","10","4308","4315","10.1021/jacs.8b11273","","","0.71073","MoKα","","0.0308","0.026","","","0.0552","0.0566","","","","","","1.053","","","","has coordinates,has disorder","220755","2020-10-21","18:00:00",""
"4127487","10.0952","0.0002","13.0588","0.0003","31.2002","0.0008","90","","90","","90","","4113.16","0.16","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Au B Cl2 F7 N3 O5 -","- C35 H48 Au B Cl2 F7 N3 O5 -","- C140 H192 Au4 B4 Cl8 F28 N12 O20 -","4","1","","Kim, Suhong; Toste, F. Dean","Mechanism of Photoredox-Initiated C-C and C-N Bond Formation by Arylation of IPrAu(I)-CF<sub>3</sub> and IPrAu(I)-Succinimide.","Journal of the American Chemical Society","2019","141","10","4308","4315","10.1021/jacs.8b11273","","","0.71073","MoKα","","0.0245","0.0228","","","0.0484","0.0488","","","","","","1.03","","","","has coordinates","220756","2020-10-21","18:00:00",""
"4127488","7.622","0.0005","6.488","0.0003","9.5948","0.0007","90","","112.474","0.008","90","","438.44","0.05","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H9 Cl3 F Mn N -","- C4 H9 Cl3 F Mn N -","- C8 H18 Cl6 F2 Mn2 N2 -","2","1","","Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","Fluorine Substitution Induced High T<sub>c</sub> of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","10","4474","4479","10.1021/jacs.9b00886","","","0.71073","MoKα","","0.0457","0.044","","","0.1317","0.1344","","","","","","1.158","","","","has coordinates","220757","2020-10-21","18:00:00",""
"4127489","7.6244","0.0005","6.493","0.0003","9.591","0.0007","90","","112.397","0.008","90","","438.99","0.05","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H9 Cl3 F Mn N -","- C4 H9 Cl3 F Mn N -","- C8 H18 Cl6 F2 Mn2 N2 -","2","1","","Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","Fluorine Substitution Induced High T<sub>c</sub> of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","10","4474","4479","10.1021/jacs.9b00886","","","0.71073","MoKα","","0.0463","0.0388","","","0.1103","0.1166","","","","","","0.99","","","","has coordinates","220758","2020-10-21","18:00:00",""
"4127490","7.6808","0.0006","17.7492","0.0014","6.4998","0.0005","90","","90","","90","","886.11","0.12","363","2","363","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H9 Cl3 F Mn N -","- C4 H9 Cl3 F Mn N -","- C16 H36 Cl12 F4 Mn4 N4 -","4","0.5","","Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","Fluorine Substitution Induced High T<sub>c</sub> of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","10","4474","4479","10.1021/jacs.9b00886","","","0.71073","MoKα","","0.0548","0.0511","","","0.1523","0.1572","","","","","","1.054","","","","has coordinates","220759","2020-10-21","18:00:00",""
"4127491","7.6727","0.0005","17.7337","0.0011","6.5009","0.0003","90","","90","","90","","884.55","0.09","363","2","363","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H9 Cl3 F Mn N -","- C4 H9 Cl3 F Mn N -","- C16 H36 Cl12 F4 Mn4 N4 -","4","0.5","","Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","Fluorine Substitution Induced High T<sub>c</sub> of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","10","4474","4479","10.1021/jacs.9b00886","","","0.71073","MoKα","","0.0563","0.0453","","","0.133","0.1418","","","","","","1.102","","","","has coordinates","220760","2020-10-21","18:00:00",""
"4127492","9.138","0.0002","18.3287","0.0004","16.6855","0.0004","90","","99.23","0.003","90","","2758.43","0.11","180","0.2","180","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 Cl Cr P -","- C31 H34 Cl Cr P -","- C124 H136 Cl4 Cr4 P4 -","4","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0288","0.0261","","","0.0706","0.0725","","","","","","1.023","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127493","10.8191","0.0003","16.785","0.0003","16.1306","0.0004","90","","99.642","0.003","90","","2887.91","0.12","179.99","0.14","179.99","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H46 Cl Cr P -","- C31 H46 Cl Cr P -","- C124 H184 Cl4 Cr4 P4 -","4","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0765","0.0656","","","0.1782","0.1855","","","","","","1.044","","","","has coordinates,has disorder","220762","2020-10-21","18:00:00",""
"4127494","8.4943","0.0002","17.3964","0.0005","17.6923","0.0005","74.282","0.002","84.815","0.002","86.464","0.002","2504.45","0.12","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H38 Cl Cr P -","- C25 H38 Cl Cr P -","- C100 H152 Cl4 Cr4 P4 -","4","2","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.045","0.0348","","","0.0899","0.0946","","","","","","1.048","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127495","17.3686","0.001","23.3588","0.0014","26.4874","0.0015","90","","90","","90","","10746.2","1.1","179.99","0.1","179.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C93 H102 Cr3 N8 P3 -","- C93 H102 Cr3 N8 P3 -","- C372 H408 Cr12 N32 P12 -","4","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0726","0.0469","","","0.0976","0.1058","","","","","","1.041","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127496","15.2595","0.0004","16.1681","0.0004","26.5072","0.0006","90","","90","","90","","6539.8","0.3","180","0.1","180","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H92 Cr2 N6 P2 -","- C62 H92 Cr2 N6 P2 -","- C248 H368 Cr8 N24 P8 -","4","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0668","0.0581","","","0.1543","0.1632","","","","","","1.09","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127497","20.6373","0.0003","17.5541","0.0002","28.8861","0.0003","90","","92.318","0.001","90","","10456","0.2","180","0.1","180","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C49 H82 Cr K N6 O6 P -","- C49 H82 Cr K N6 O6 P -","- C392 H656 Cr8 K8 N48 O48 P8 -","8","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0359","0.0321","","","0.0846","0.0868","","","","","","1.036","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127498","13.175","0.0002","14.4943","0.0002","15.6898","0.0002","115.098","0.001","97.038","0.001","94.806","0.001","2661.94","0.07","179.99","0.1","179.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C49 H82 Cr N6 O6 P Rb -","- C49 H82 Cr N6 O6 P Rb -","- C98 H164 Cr2 N12 O12 P2 Rb2 -","2","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0329","0.027","","","0.0693","0.0711","","","","","","1.048","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127499","25.3634","0.0004","18.6014","0.0003","24.164","0.0004","90","","93.673","0.002","90","","11377","0.3","179.99","0.1","179.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H82 Cr Cs N6 O6 P -","- C49 H82 Cr Cs N6 O6 P -","- C392 H656 Cr8 Cs8 N48 O48 P8 -","8","2","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0334","0.0303","","","0.0758","0.0783","","","","","","1.028","","","","has coordinates,has disorder","220762","2020-10-21","18:00:00",""
"4127500","10.8222","0.0004","11.3035","0.0004","16.5127","0.0003","90.867","0.002","101.725","0.003","103.42","0.003","1919.7","0.11","180","0.1","180","0.1","","","","","","","","6","P 1","P 1","1","","","","- C37 H64 Cr N2 P Si2 -","- C37 H64 Cr N2 P Si2 -","- C74 H128 Cr2 N4 P2 Si4 -","2","2","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0692","0.0659","","","0.1819","0.1846","","","","","","1.052","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127501","7.7553","0.0009","8.2119","0.001","8.3575","0.001","77.75","0.005","69.61","0.004","66.847","0.005","456.97","0.1","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C20 H24 O8 -","2","1","","Fan, Jie; Liao, Ge; Kindinger, Florian; Ludwig-Radtke, Lena; Yin, Wen-Bing; Li, Shu-Ming","Peniphenone and Penilactone Formation in Penicillium crustosum via 1,4-Michael Additions of ortho-Quinone Methide from Hydroxyclavatol to γ-Butyrolactones from Crustosic Acid.","Journal of the American Chemical Society","2019","141","10","4225","4229","10.1021/jacs.9b00110","","","1.54178","CuKα","","0.0542","0.0535","","","0.1801","0.1834","","","","","","1.589","","","","has coordinates","220763","2020-10-21","18:00:00",""
"4127502","13.714","0.0005","21.0582","0.0007","27.161","0.001","90","","90","","90","","7843.9","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C90 H120 O12 -","- C90 H120 O12 -","- C360 H480 O48 -","4","1","","Jia, Fei; Hupatz, Henrik; Yang, Liu-Pan; Schröder, Hendrik V; Li, Dong-Hao; Xin, Shan; Lentz, Dieter; Witte, Felix; Xie, Xiaojiang; Paulus, Beate; Schalley, Christoph A.; Jiang, Wei","Naphthocage: A Flexible yet Extremely Strong Binder for Singly Charged Organic Cations.","Journal of the American Chemical Society","2019","141","10","4468","4473","10.1021/jacs.9b00445","","","1.54178","CuKα","","0.2011","0.1852","","","0.3843","0.3918","","","","","","1.246","","","","has coordinates","220764","2020-10-21","18:00:00",""
"4127503","15.076","0.0004","15.076","0.0004","6.6648","0.0002","90","","90","","120","","1311.87","0.06","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C12 H33 Cd2 Cl7 F3 N3 -","- C12 H33 Cd2 Cl7 F3 N3 -","- C24 H66 Cd4 Cl14 F6 N6 -","2","0.333333","","Wang, Zhong-Xia; Zhang, Yi; Tang, Yuan-Yuan; Li, Peng-Fei; Xiong, Ren-Gen","Fluoridation Achieved Antiperovskite Molecular Ferroelectric in [(CH<sub>3</sub>)<sub>2</sub>(F-CH<sub>2</sub>CH<sub>2</sub>)NH]<sub>3</sub>(CdCl<sub>3</sub>)(CdCl<sub>4</sub>).","Journal of the American Chemical Society","2019","141","10","4372","4378","10.1021/jacs.8b13109","","","0.71073","MoKα","","0.0324","0.0266","","","0.0454","0.047","","","","","","1.016","","","","has coordinates","220765","2020-10-21","18:00:00",""
"4127504","15.2801","0.0003","15.2801","0.0003","6.7272","0.0002","90","","90","","120","","1360.25","0.06","373","2","373","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C12 H33 Cd2 Cl7 F3 N3 -","- C12 H33 Cd2 Cl7 F3 N3 -","- C24 H66 Cd4 Cl14 F6 N6 -","2","0.166667","","Wang, Zhong-Xia; Zhang, Yi; Tang, Yuan-Yuan; Li, Peng-Fei; Xiong, Ren-Gen","Fluoridation Achieved Antiperovskite Molecular Ferroelectric in [(CH<sub>3</sub>)<sub>2</sub>(F-CH<sub>2</sub>CH<sub>2</sub>)NH]<sub>3</sub>(CdCl<sub>3</sub>)(CdCl<sub>4</sub>).","Journal of the American Chemical Society","2019","141","10","4372","4378","10.1021/jacs.8b13109","","","0.71073","MoKα","","0.1427","0.139","","","0.4192","0.4201","","","","","","1.146","","","","has coordinates","220766","2020-10-21","18:00:00",""
"4127505","15.2403","0.0005","15.2403","0.0005","6.7047","0.0003","90","","90","","120","","1348.64","0.09","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C12 H33 Cd2 Cl7 F3 N3 -","- C12 H33 Cd2 Cl7 F3 N3 -","- C24 H66 Cd4 Cl14 F6 N6 -","2","0.333333","","Wang, Zhong-Xia; Zhang, Yi; Tang, Yuan-Yuan; Li, Peng-Fei; Xiong, Ren-Gen","Fluoridation Achieved Antiperovskite Molecular Ferroelectric in [(CH<sub>3</sub>)<sub>2</sub>(F-CH<sub>2</sub>CH<sub>2</sub>)NH]<sub>3</sub>(CdCl<sub>3</sub>)(CdCl<sub>4</sub>).","Journal of the American Chemical Society","2019","141","10","4372","4378","10.1021/jacs.8b13109","","","0.71073","MoKα","","0.0373","0.0295","","","0.0754","0.0794","","","","","","1.068","","","","has coordinates","220767","2020-10-21","18:00:00",""
"4127506","6.7388","0.0003","15.1099","0.0007","10.4269","0.0007","90","","118.749","0.004","90","","930.82","0.09","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cd Cl3 N -","- C4 H12 Cd Cl3 N -","- C16 H48 Cd4 Cl12 N4 -","4","1","","Wang, Zhong-Xia; Zhang, Yi; Tang, Yuan-Yuan; Li, Peng-Fei; Xiong, Ren-Gen","Fluoridation Achieved Antiperovskite Molecular Ferroelectric in [(CH<sub>3</sub>)<sub>2</sub>(F-CH<sub>2</sub>CH<sub>2</sub>)NH]<sub>3</sub>(CdCl<sub>3</sub>)(CdCl<sub>4</sub>).","Journal of the American Chemical Society","2019","141","10","4372","4378","10.1021/jacs.8b13109","","","0.71073","MoKα","","0.0852","0.0683","","","0.1604","0.1678","","","","","","1.018","","","","has coordinates","220768","2020-10-21","18:00:00",""
"4127507","14.838","0.005","16.122","0.005","20.858","0.006","102.267","0.004","91.596","0.004","108.174","0.006","4609","2","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C150 H170 Cu6 F24 N6 P16 -","- C150 H170 Cu6 F24 N6 P16 -","- C150 H170 Cu6 F24 N6 P16 -","1","0.5","","Nakajima, Takayuki; Kamiryo, Yoshia; Kishimoto, Masayo; Imai, Kaho; Nakamae, Kanako; Ura, Yasuyuki; Tanase, Tomoaki","Synergistic Cu<sub>2</sub> Catalysts for Formic Acid Dehydrogenation.","Journal of the American Chemical Society","2019","141","22","8732","8736","10.1021/jacs.9b03532","","","0.71075","MoKα","","0.1079","0.0699","","","0.1788","0.2283","","","","","","1.093","","","","has coordinates","220769","2020-10-21","18:00:00",""
"4127508","20.1652","0.0001","22.4654","0.0002","24.3771","0.0001","70.24","0.003","69.104","0.003","86.578","0.004","9686.2","0.3","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C162 H182 Cu6 F24 N8 P16 -","- C162 H182 Cu6 F24 N8 P16 -","- C324 H364 Cu12 F48 N16 P32 -","2","1","","Nakajima, Takayuki; Kamiryo, Yoshia; Kishimoto, Masayo; Imai, Kaho; Nakamae, Kanako; Ura, Yasuyuki; Tanase, Tomoaki","Synergistic Cu<sub>2</sub> Catalysts for Formic Acid Dehydrogenation.","Journal of the American Chemical Society","2019","141","22","8732","8736","10.1021/jacs.9b03532","","","0.71075","MoKα","","0.0561","0.0475","","","0.1278","0.1387","","","","","","1.08","","","","has coordinates","220769","2020-10-21","18:00:00",""
"4127509","15.87","0.003","16.613","0.003","21.508","0.004","90","","102.508","0.002","90","","5536","1.8","153","","153","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C49 H52 Cu2 F12 N4 P6 -","- C49 H52 Cu2 F12 N4 P6 -","- C196 H208 Cu8 F48 N16 P24 -","4","1","","Nakajima, Takayuki; Kamiryo, Yoshia; Kishimoto, Masayo; Imai, Kaho; Nakamae, Kanako; Ura, Yasuyuki; Tanase, Tomoaki","Synergistic Cu<sub>2</sub> Catalysts for Formic Acid Dehydrogenation.","Journal of the American Chemical Society","2019","141","22","8732","8736","10.1021/jacs.9b03532","","","0.71075","MoKα","","0.0282","0.0257","","","0.0619","0.0631","","","","","","1.008","","","","has coordinates","220769","2020-10-21","18:00:00",""
"4127510","14.6328","0.0004","14.6409","0.0003","18.168","0.0003","94.984","0.002","112.238","0.002","90.794","0.002","3584.52","0.15","183.05","0.1","183.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H94.6 Co4 N8 O37.3 -","- C52 H52 Co4 N8 O37.3 -","- C104 H104 Co8 N16 O74.6 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0716","0.0529","","","0.133","0.1447","","","","","","1.046","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127511","23.9436","0.0004","23.9436","0.0004","23.9436","0.0004","90","","90","","90","","13726.8","0.4","183.05","0.1","183.05","0.1","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C44 H40 Cl4 Co4 N8 O10 -","- C44 H40 Cl4 Co4 N8 O10 -","- C528 H480 Cl48 Co48 N96 O120 -","12","0.25","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0297","0.0281","","","0.0687","0.0697","","","","","","1.058","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127512","12.6957","0.0004","14.2283","0.0005","15.5843","0.0004","90.19","0.002","105.029","0.003","92.381","0.003","2716.19","0.15","180","2","180","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H53 Co4 N9 O21 -","- C50 H51 Co4 N9 O21 -","- C100 H102 Co8 N18 O42 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0491","0.0361","","","0.0843","0.0911","","","","","","1.027","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127513","12.7299","0.0004","14.2087","0.0005","15.7489","0.0008","89.78","0.003","73.273","0.004","86.642","0.003","2723.1","0.2","183.05","0.1","183.05","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50 H51 B Co4 F4 N8 O17 -","- C50 H49 B Co4 F4 N8 O16 -","- C100 H98 B2 Co8 F8 N16 O32 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","","0.71073","MoKα","","0.0601","0.0441","","","0.1022","0.1111","","","","","","1.029","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127514","12.9163","0.0004","14.142","0.0003","16.2926","0.0004","89.681","0.002","72.126","0.002","86.839","0.002","2827.89","0.13","160","0.1","160","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50.5 H51 Co4 F6 N8 O16.5 P -","- C50.5 H50.913 Co4 F6 N8 O16.4565 P -","- C101 H101.826 Co8 F12 N16 O32.913 P2 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0459","0.0367","","","0.0921","0.0971","","","","","","1.043","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127515","15.4022","0.0005","24.0916","0.0006","16.0068","0.0005","90","","96.849","0.003","90","","5897.2","0.3","183","2","183","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 B2 Co4 F8 N8 O20 -","- C48 H56 B2 Co4 F8 N8 O20 -","- C192 H224 B8 Co16 F32 N32 O80 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0671","0.0415","","","0.0899","0.1032","","","","","","1.034","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127516","12.7097","0.0002","14.2447","0.0003","15.7479","0.0003","90.0964","0.0015","105.617","0.0015","92.2521","0.0014","2743.49","0.09","160","0.1","160","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H51.85 Cl Co4 N8 O20.42 -","- C50 H47 Cl Co4 N8 O20.4248 -","- C100 H94 Cl2 Co8 N16 O40.8496 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0495","0.0401","","","0.1086","0.1135","","","","","","1.033","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127517","22.6584","0.0005","12.1359","0.0003","21.1615","0.0005","90","","115.784","0.003","90","","5239.7","0.3","159.99","0.1","159.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 B2 Co4 F8 N8 O14 -","- C48 H46 B2 Co4 F8 N8 O14 -","- C192 H184 B8 Co16 F32 N32 O56 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0529","0.0484","","","0.1375","0.1422","","","","","","1.026","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127518","22.3692","0.0006","12.07776","0.00019","21.0774","0.0005","90","","115.686","0.003","90","","5131.8","0.2","160","0.1","160","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cl2 Co4 N8 O20 -","- C48 H46 Cl2 Co4 N8 O20 -","- C192 H184 Cl8 Co16 N32 O80 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0679","0.0564","","","0.1574","0.1669","","","","","","1.048","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127519","22.5898","0.0006","11.955","0.0002","21.4009","0.0006","90","","116.258","0.003","90","","5183.2","0.3","160","0.1","160","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Co4 N10 O20 -","- C48 H46 Co4 N10 O20 -","- C192 H184 Co16 N40 O80 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0571","0.0507","","","0.151","0.1572","","","","","","1.057","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127520","11.7024","0.0002","12.9555","0.0003","19.8107","0.0004","91.1275","0.0017","100.374","0.0015","106.123","0.0017","2830.48","0.1","159.99","0.1","159.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 Co4 N12 O30 -","- C44 H44 Co4 N12 O30 -","- C88 H88 Co8 N24 O60 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0609","0.0517","","","0.1501","0.1575","","","","","","1.056","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127521","12.6067","0.001","14.0325","0.0006","18.7571","0.0012","90","","106.059","0.007","90","","3188.7","0.4","184","3","184","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Co4 N8 O20 -","- C60 H71.414 Co4 N8 O20 -","- C120 H142.828 Co8 N16 O40 -","2","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0788","0.0489","","","0.1129","0.1272","","","","","","1.02","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127522","9.2864","0.0002","21.6644","0.0005","18.8463","0.0005","90","","95.987","0.002","90","","3770.9","0.16","182.9","0.7","182.9","0.7","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H37 Co2 N5 O7 -","- C40 H37 Co2 N5 O7 -","- C160 H148 Co8 N20 O28 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0442","0.0353","","","0.0784","0.0828","","","","","","1.031","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127523","11.9321","0.0001","13.3864","0.0001","23.8027","0.0002","91.281","0.001","92.085","0.001","107.581","0.001","3619.75","0.05","159.99","0.1","159.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H60.21 Co5 N15 O29.5 -","- C66 H60.212 Co5 N15 O29.5 -","- C132 H120.424 Co10 N30 O59 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0515","0.0419","","","0.1068","0.1144","","","","","","1.053","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127524","14.7712","0.0002","17.5108","0.0003","17.9137","0.0002","63.079","0.002","70.43","0.001","65.817","0.002","3704.6","0.12","160","0.1","160","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H90 Co4 N8 O37 -","- C52 H52 Co4 N8 O37 -","- C104 H104 Co8 N16 O74 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0793","0.0594","","","0.1707","0.1876","","","","","","1.014","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127525","22.7806","0.0017","12.0764","0.0005","21.2581","0.0013","90","","116.313","0.008","90","","5242.3","0.7","183.05","0.1","183.05","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 B2 Co2.3 F8 N8 Ni1.7 O14 -","- C48 H46 B2 Co2.3 F8 N8 Ni1.7 O14 -","- C192 H184 B8 Co9.2 F32 N32 Ni6.8 O56 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0647","0.0519","","","0.1478","0.1615","","","","","","1.046","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127526","22.4421","0.0009","12.016","0.0003","21.2212","0.0008","90","","116.299","0.005","90","","5130.3","0.4","183.05","0.1","183.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Cl2 Co2.3 N8 Ni1.7 O21 -","- C48 H46 Cl2 Co2.3 N8 Ni1.7 O21 -","- C192 H184 Cl8 Co9.2 N32 Ni6.8 O84 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0609","0.041","","","0.1009","0.1171","","","","","","1.067","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127527","22.7499","0.0014","12.1315","0.0006","21.164","0.0012","90","","115.903","0.008","90","","5254.2","0.6","183.05","0.1","183.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cl2 Co1.94 N8 Ni2.06 O22 -","- C48 H46 Cl2 Co1.92 N8 Ni2.08 O22 -","- C192 H184 Cl8 Co7.68 N32 Ni8.32 O88 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0723","0.053","","","0.1344","0.1511","","","","","","1.04","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127528","12.2745","0.0003","13.3722","0.0004","19.5727","0.0004","88.324","0.002","73.699","0.002","64.454","0.003","2766.35","0.15","183","0.1","183","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C48 H46 Co1.66 F12 N8 Ni2.34 O14 P2 -","- C48 H46 Co1.64 F12 N8 Ni2.36 O14 P2 -","- C96 H92 Co3.28 F24 N16 Ni4.72 O28 P4 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0734","0.0601","","","0.1749","0.1896","","","","","","1.053","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127529","11.9719","0.0003","24.6331","0.0006","21.5467","0.0005","90","","101.719","0.003","90","","6221.8","0.3","160","0.1","160","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 B Co1.54 F4 N8 Ni2.46 O25 -","- C50 H51 B Co1.52 F4 N8 Ni2.48 O25 -","- C200 H204 B4 Co6.08 F16 N32 Ni9.92 O100 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0518","0.0408","","","0.1168","0.1229","","","","","","1.054","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127530","12.2353","0.0007","17.64","0.001","27.9435","0.0014","90","","99.12","0.005","90","","5954.8","0.6","183","0.14","183","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H61 Cl Co2.34 N8 Ni1.66 O22 -","- C50 H57 Cl Co2.34 N8 Ni1.66 O22 -","- C200 H228 Cl4 Co9.36 N32 Ni6.64 O88 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0747","0.0567","","","0.1407","0.1498","","","","","","1.1","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127531","12.0091","0.0003","23.9541","0.0007","21.5009","0.0005","90","","100.068","0.002","90","","6089.9","0.3","160","0.1","160","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Cl Co2.32 N8 Ni1.68 O28 -","- C50 H67 Cl Co2.32 N8 Ni1.68 O28 -","- C200 H268 Cl4 Co9.28 N32 Ni6.72 O112 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0576","0.0366","","","0.0693","0.0746","","","","","","1.013","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127532","12.0492","0.0002","24.3545","0.0004","21.4569","0.0004","90","","100.118","0.0017","90","","6198.65","0.19","160.01","0.1","160.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Cl Co1.9 N8 Ni2.1 O29 -","- C50 H67 Cl Co1.9 N8 Ni2.1 O29 -","- C200 H268 Cl4 Co7.6 N32 Ni8.4 O116 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0422","0.037","","","0.1052","0.1076","","","","","","1.091","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127533","11.9277","0.0003","23.7667","0.0006","21.4551","0.0005","90","","99.791","0.002","90","","5993.5","0.3","160","0.1","160","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Co1.54 N9 Ni2.46 O28 -","- C50 H67 Co1.54 N9 Ni2.46 O28 -","- C200 H268 Co6.16 N36 Ni9.84 O112 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0538","0.0425","","","0.1031","0.1074","","","","","","1.041","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127534","12.105","0.0003","24.6661","0.0008","21.5614","0.0006","90","","100.632","0.002","90","","6327.3","0.3","183","0.14","183","0.14","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Co2.36 F6 N8 Ni1.64 O25 P -","- C50 H61 Co2.36 F6 N8 Ni1.64 O25 P -","- C200 H244 Co9.44 F24 N32 Ni6.56 O100 P4 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0724","0.0504","","","0.1371","0.1538","","","","","","1.033","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127535","22.5327","0.0003","11.87693","0.00011","21.4511","0.0002","90","","116.456","0.0014","90","","5139.55","0.11","160","0.1","160","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H47.6 N10 Ni4 O21.42 -","- C48 H46 N10 Ni4 O21.418 -","- C192 H184 N40 Ni16 O85.672 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0508","0.0463","","","0.1256","0.1293","","","","","","1.036","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127536","11.60874","0.00012","12.86774","0.00012","19.73943","0.00015","91.543","0.0007","99.0305","0.0008","106.203","0.0008","2788.63","0.05","160","0.1","160","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 N12 Ni4 O30 -","- C44 H44 N12 Ni4 O30 -","- C88 H88 N24 Ni8 O60 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0442","0.0403","","","0.1129","0.1162","","","","","","1.053","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127537","11.7709","0.0003","13.3769","0.0003","17.3977","0.0004","91.475","0.002","100.3","0.002","91.778","0.002","2692.6","0.11","183.1","0.3","183.1","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C46 H53 N11 Ni4 O26 -","- C46 H51 N11 Ni4 O26 -","- C92 H102 N22 Ni8 O52 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0519","0.0351","","","0.0777","0.084","","","","","","1.013","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127538","11.9815","0.0003","24.6554","0.0007","21.5499","0.0006","90","","101.629","0.003","90","","6235.4","0.3","160","0.1","160","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 B F4 N8 Ni4 O25 -","- C50 H50.508 B F4 N8 Ni4 O24.999 -","- C200 H202.032 B4 F16 N32 Ni16 O99.996 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0513","0.0393","","","0.1003","0.1061","","","","","","1.037","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127539","11.951","0.0003","24.1715","0.0005","21.506","0.0006","90","","100.333","0.002","90","","6111.8","0.3","183","0.1","183","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H68 Cl N8 Ni4 O25.5 -","- C50 H47 Cl N8 Ni4 O25.5 -","- C200 H188 Cl4 N32 Ni16 O102 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0515","0.0413","","","0.1141","0.1203","","","","","","1.03","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127540","11.9897","0.0003","23.9258","0.0005","21.4676","0.0005","90","","100.261","0.002","90","","6059.8","0.2","160","0.1","160","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Cl N8 Ni4 O28 -","- C50 H67 Cl N8 Ni4 O28 -","- C200 H268 Cl4 N32 Ni16 O112 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0699","0.0627","","","0.1572","0.1602","","","","","","1.186","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127541","12.0432","0.0002","24.3255","0.0004","21.4471","0.0004","90","","100.226","0.0018","90","","6183.27","0.19","183","1","183","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Cl N8 Ni4 O29 -","- C50 H67 Cl N8 Ni4 O29 -","- C200 H268 Cl4 N32 Ni16 O116 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0499","0.0424","","","0.1145","0.1201","","","","","","1.054","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127542","11.9474","0.0003","23.7932","0.0007","21.4982","0.0006","90","","99.884","0.003","90","","6020.5","0.3","183","0.1","183","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 N9 Ni4 O28 -","- C50 H67 N9 Ni4 O28 -","- C200 H268 N36 Ni16 O112 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0567","0.0382","","","0.0911","0.0979","","","","","","1.027","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127543","12.0535","0.0003","24.6786","0.0006","21.4781","0.0005","90","","100.613","0.002","90","","6279.7","0.3","160","0.1","160","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 F6 N8 Ni4 O25 P -","- C50 H57 F6 N8 Ni4 O25 P -","- C200 H228 F24 N32 Ni16 O100 P4 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0679","0.0596","","","0.1497","0.1532","","","","","","1.124","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127544","5.7757","0.0006","10.0831","0.0012","12.4448","0.0014","70.856","0.005","84.636","0.005","73.657","0.005","657","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 B2 O4 S2 -","- C30 H30 B2 O4 S2 -","- C30 H30 B2 O4 S2 -","1","0.5","","Farrell, Jeffrey M.; Mützel, Carina; Bialas, David; Rudolf, Maximilian; Menekse, Kaan; Krause, Ana-Maria; Stolte, Matthias; Würthner, Frank","Tunable Low-LUMO Boron-Doped Polycyclic Aromatic Hydrocarbons by General One-Pot C-H Borylations.","Journal of the American Chemical Society","2019","141","22","9096","9104","10.1021/jacs.9b04675","","","1.54178","CuKα","","0.0342","0.0333","","","0.0897","0.0906","","","","","","1.057","","","","has coordinates","220771","2020-10-21","18:00:00",""
"4127545","9.4061","0.0005","11.8145","0.0007","15.8718","0.0009","90","","95.27","0.002","90","","1756.35","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 B2 -","- C48 H40 B2 -","- C96 H80 B4 -","2","0.5","","Farrell, Jeffrey M.; Mützel, Carina; Bialas, David; Rudolf, Maximilian; Menekse, Kaan; Krause, Ana-Maria; Stolte, Matthias; Würthner, Frank","Tunable Low-LUMO Boron-Doped Polycyclic Aromatic Hydrocarbons by General One-Pot C-H Borylations.","Journal of the American Chemical Society","2019","141","22","9096","9104","10.1021/jacs.9b04675","","","1.54178","CuKα","","0.0465","0.0419","","","0.1082","0.113","","","","","","1.034","","","","has coordinates","220772","2020-10-21","18:00:00",""
"4127546","5.6393","0.0004","12.8559","0.0008","14.1348","0.0009","80.086","0.003","89.946","0.003","85.751","0.003","1006.6","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 B2 O10 -","- C48 H52 B2 O10 -","- C48 H52 B2 O10 -","1","0.5","","Farrell, Jeffrey M.; Mützel, Carina; Bialas, David; Rudolf, Maximilian; Menekse, Kaan; Krause, Ana-Maria; Stolte, Matthias; Würthner, Frank","Tunable Low-LUMO Boron-Doped Polycyclic Aromatic Hydrocarbons by General One-Pot C-H Borylations.","Journal of the American Chemical Society","2019","141","22","9096","9104","10.1021/jacs.9b04675","","","1.54178","CuKα","","0.0653","0.057","","","0.1559","0.1655","","","","","","1.055","","","","has coordinates,has disorder","220773","2020-10-21","18:00:00",""
"4127547","14.7128","0.0005","14.9182","0.0005","16.4821","0.0006","74.5203","0.0018","87.2248","0.0019","86.8565","0.0018","3479","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68.99 H46.97 B4 F20 O8.5 S4.5 -","- C68.99 H46.97 B4 F20 O8.495 S4.495 -","- C137.98 H93.94 B8 F40 O16.99 S8.99 -","2","1","","Farrell, Jeffrey M.; Mützel, Carina; Bialas, David; Rudolf, Maximilian; Menekse, Kaan; Krause, Ana-Maria; Stolte, Matthias; Würthner, Frank","Tunable Low-LUMO Boron-Doped Polycyclic Aromatic Hydrocarbons by General One-Pot C-H Borylations.","Journal of the American Chemical Society","2019","141","22","9096","9104","10.1021/jacs.9b04675","","","1.54178","CuKα","","0.0871","0.0758","","","0.205","0.2149","","","","","","1.05","","","","has coordinates,has disorder","220774","2020-10-21","18:00:00",""
"4127548","13.5878","0.0004","7.1239","0.0002","22.9259","0.0007","90","","98.4482","0.0013","90","","2195.1","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F10 -","- C30 H12 F10 -","- C120 H48 F40 -","4","1","","Farrell, Jeffrey M.; Mützel, Carina; Bialas, David; Rudolf, Maximilian; Menekse, Kaan; Krause, Ana-Maria; Stolte, Matthias; Würthner, Frank","Tunable Low-LUMO Boron-Doped Polycyclic Aromatic Hydrocarbons by General One-Pot C-H Borylations.","Journal of the American Chemical Society","2019","141","22","9096","9104","10.1021/jacs.9b04675","","","1.54178","CuKα","","0.0647","0.06","","","0.1643","0.1684","","","","","","1.083","","","","has coordinates","220775","2020-10-21","18:00:00",""
"4127549","11.4364","0.0013","15.6713","0.0018","16.661","0.002","90.509","0.006","91.262","0.007","98.341","0.006","2953.5","0.6","104","","104.57","","","","","","","","","8","P -1","-P 1","2","","","","- C51 H101 B Co I Na O6 P3 -","- C51 H101 B Co I Na O6 P3 -","- C102 H202 B2 Co2 I2 Na2 O12 P6 -","2","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","","0.71073","MoKα","","0.0784","0.0633","","","0.1419","0.1489","","","","","","1.083","","","","has coordinates,has disorder","220776","2020-10-21","18:00:00",""
"4127550","11.5244","0.0004","12.7658","0.0004","21.215","0.0007","95.296","0.001","96.883","0.001","107.287","0.001","2931.59","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","[[BP2iPr](PhSiH2)CoH2]Si[H2Co[BP3iPr]]","","- C53 H101 B2 Co2 P5 Si2 -","- C53 H101 B2 Co2 P5 Si2 -","- C106 H202 B4 Co4 P10 Si4 -","2","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","x-ray","0.7288","synchrotron","","0.0749","0.0504","","","0.105","0.1152","","","","","","1.034","","","","has coordinates,has disorder","220776","2020-10-21","18:00:00",""
"4127551","21.403","0.001","10.1831","0.0005","21.2625","0.001","90","","90","","90","","4634.1","0.4","100","2","100.15","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C44 H79 B Co N2 O P3 Si -","- C44 H79 B Co N2 O P3 Si -","- C176 H316 B4 Co4 N8 O4 P12 Si4 -","4","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","","0.7288","synchrotron","","0.0327","0.0289","","","0.0709","0.0797","","","","","","1.119","","","","has coordinates","220776","2020-10-21","18:00:00",""
"4127552","12.1123","0.0006","21.5468","0.0011","22.5752","0.0011","90","","90","","90","","5891.7","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","{[BP2]Co(dmap)}Si{H2Co[BP3[)","","- C54 H99 B2 Co2 N2 P5 Si -","- C54 H99 B2 Co2 N2 P5 Si -","- C216 H396 B8 Co8 N8 P20 Si4 -","4","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","x-ray","0.7288","synchrotron","","0.0518","0.0413","","","0.0936","0.0988","","","","","","1.023","","","","has coordinates,has disorder","220776","2020-10-21","18:00:00",""
"4127553","13.6934","0.0006","16.3703","0.0007","18.7873","0.0008","90","","97.246","0.002","90","","4177.8","0.3","98.15","","98.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H71 B Co N2 P3 -","- C41 H71 B Co N2 P3 -","- C164 H284 B4 Co4 N8 P12 -","4","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","","0.7288","synchrotron","","0.0466","0.0362","","","0.0847","0.093","","","","","","1.088","","","","has coordinates,has disorder","220776","2020-10-21","18:00:00",""
"4127554","13.211","0.0006","19.7623","0.001","13.6214","0.0007","90","","91.36","0.002","90","","3555.3","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[BP2]Co(SiHPhCH2PiPr2)H2","","- C33 H61 B Co P3 Si -","- C33 H61 B Co P3 Si -","- C132 H244 B4 Co4 P12 Si4 -","4","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","x-ray","0.7288","synchrotron","","0.054","0.0373","","","0.0775","0.0842","","","","","","1.043","","","","has coordinates","220776","2020-10-21","18:00:00",""
"4127555","10.18015","0.00005","18.14258","0.00009","13.248","0.00006","90","","96.6667","0.0004","90","","2430.28","0.02","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 B F8 N6 Ni -","- C22 H21 B F8 N6 Ni -","- C88 H84 B4 F32 N24 Ni4 -","4","1","","Bour, James R.; Ferguson, Devin M.; McClain, Edward J.; Kampf, Jeff W.; Sanford, Melanie S.","Connecting Organometallic Ni(III) and Ni(IV): Reactions of Carbon-Centered Radicals with High-Valent Organonickel Complexes.","Journal of the American Chemical Society","2019","141","22","8914","8920","10.1021/jacs.9b02411","","","1.54184","CuKα","","0.0336","0.0332","","","0.0862","0.0865","","","","","","1.069","","","","has coordinates","220777","2020-10-21","18:00:00",""
"4127556","18.20014","0.0001","10.42886","0.00005","18.97636","0.00009","90","","110.941","0.0006","90","","3363.93","0.03","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 B F8 N6 Ni -","- C13 H10 B F8 N6 Ni -","- C104 H80 B8 F64 N48 Ni8 -","8","2","","Bour, James R.; Ferguson, Devin M.; McClain, Edward J.; Kampf, Jeff W.; Sanford, Melanie S.","Connecting Organometallic Ni(III) and Ni(IV): Reactions of Carbon-Centered Radicals with High-Valent Organonickel Complexes.","Journal of the American Chemical Society","2019","141","22","8914","8920","10.1021/jacs.9b02411","","","1.54178","CuKα","","0.0301","0.0294","","","0.0807","0.0815","","","","","","1.015","","","","has coordinates","220778","2020-10-21","18:00:00",""
"4127557","16.0863","0.0011","13.4144","0.0003","7.6365","0.0001","90","","90","","90","","1647.87","0.12","85","2","85","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 B F9 N6 Ni -","- C12 H10 B F9 N6 Ni -","- C48 H40 B4 F36 N24 Ni4 -","4","0.5","","Bour, James R.; Ferguson, Devin M.; McClain, Edward J.; Kampf, Jeff W.; Sanford, Melanie S.","Connecting Organometallic Ni(III) and Ni(IV): Reactions of Carbon-Centered Radicals with High-Valent Organonickel Complexes.","Journal of the American Chemical Society","2019","141","22","8914","8920","10.1021/jacs.9b02411","","","1.54178","CuKα","","0.037","0.0364","","","0.1024","0.1031","","","","","","1.095","","","","has coordinates","220779","2020-10-21","18:00:00",""
"4127558","7.3536","0.0003","17.7538","0.0005","17.6299","0.0007","90","","95.986","0.003","90","","2289.11","0.15","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 B F9 N6 Ni O2 -","- C20 H14 B F9 N6 Ni O2 -","- C80 H56 B4 F36 N24 Ni4 O8 -","4","1","","Bour, James R.; Ferguson, Devin M.; McClain, Edward J.; Kampf, Jeff W.; Sanford, Melanie S.","Connecting Organometallic Ni(III) and Ni(IV): Reactions of Carbon-Centered Radicals with High-Valent Organonickel Complexes.","Journal of the American Chemical Society","2019","141","22","8914","8920","10.1021/jacs.9b02411","","","1.54184","CuKα","","0.0774","0.0672","","","0.1642","0.1694","","","","","","1.154","","","","has coordinates,has disorder","220780","2020-10-21","18:00:00",""
"4127559","9.5099","0.0003","9.9578","0.0003","12.0931","0.0003","98.118","0.002","92.716","0.002","106.997","0.003","1079.43","0.06","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 B F9 N6 Ni -","- C19 H14 B F9 N6 Ni -","- C38 H28 B2 F18 N12 Ni2 -","2","1","","Bour, James R.; Ferguson, Devin M.; McClain, Edward J.; Kampf, Jeff W.; Sanford, Melanie S.","Connecting Organometallic Ni(III) and Ni(IV): Reactions of Carbon-Centered Radicals with High-Valent Organonickel Complexes.","Journal of the American Chemical Society","2019","141","22","8914","8920","10.1021/jacs.9b02411","","","1.54184","CuKα","","0.0457","0.0439","","","0.1189","0.1214","","","","","","1.031","","","","has coordinates","220781","2020-10-21","18:00:00",""
"4127560","7.685","0.002","15.605","0.005","16.223","0.005","74.967","0.005","89.639","0.006","79.799","0.006","1847.6","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl Ir N2 O -","- C20 H24 Cl Ir N2 O -","- C80 H96 Cl4 Ir4 N8 O4 -","4","2","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0868","0.0506","","","0.0821","0.0915","","","","","","0.88","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127561","8.2734","0.0017","14.594","0.003","15.557","0.003","90","","93.433","0.004","90","","1875","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl Ir N2 -","- C20 H24 Cl Ir N2 -","- C80 H96 Cl4 Ir4 N8 -","4","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0493","0.0358","","","0.0682","0.0714","","","","","","0.922","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127562","13.213","0.002","22.91","0.004","7.9438","0.0012","90","","125.501","0.002","90","","1957.7","0.5","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H27 Cl N3 Rh -","- C21 H27 Cl N3 Rh -","- C84 H108 Cl4 N12 Rh4 -","4","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0255","0.0239","","","0.0485","0.049","","","","","","0.99","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127563","7.6118","0.0017","15.544","0.003","16.253","0.004","75.165","0.004","89.518","0.004","79.832","0.004","1828.4","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl N2 O Rh -","- C20 H24 Cl N2 O Rh -","- C80 H96 Cl4 N8 O4 Rh4 -","4","2","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0537","0.0387","","","0.0732","0.0784","","","","","","0.939","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127564","7.4249","0.001","20.189","0.003","27.124","0.004","90","","92.946","0.004","90","","4060.5","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H25 Cl2 N2 Rh -","- C20.5 H25 Cl2 N2 Rh -","- C164 H200 Cl16 N16 Rh8 -","8","2","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.1003","0.0557","","","0.0839","0.0948","","","","","","0.855","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4127565","7.8393","0.0015","11.816","0.002","12.944","0.002","95.293","0.003","102.089","0.003","104.111","0.003","1124","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H28 Cl F3 N2 Rh -","- C23 H28 Cl F3 N2 Rh -","- C46 H56 Cl2 F6 N4 Rh2 -","2","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0404","0.0348","","","0.0817","0.0841","","","","","","1.025","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127566","15.56","0.005","14.528","0.005","16.734","0.006","90","","90","","90","","3783","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl Ir N2 O -","- C20 H24 Cl Ir N2 O -","- C160 H192 Cl8 Ir8 N16 O8 -","8","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0585","0.0382","","","0.0757","0.0814","","","","","","0.982","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127567","15.47","0.002","14.542","0.002","16.668","0.003","90","","90","","90","","3749.7","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl N2 O Rh -","- C20 H24 Cl N2 O Rh -","- C160 H192 Cl8 N16 O8 Rh8 -","8","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0564","0.0374","","","0.0734","0.0778","","","","","","0.919","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127568","14.863","0.007","15.107","0.007","19.157","0.008","90","","102.896","0.01","90","","4193","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20.5 H22 Cl2 F3 N2 Rh -","- C20.5 H22 Cl2 F3 N2 Rh -","- C164 H176 Cl16 F24 N16 Rh8 -","8","2","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.1642","0.0738","","","0.1159","0.1411","","","","","","0.852","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4127569","7.7784","0.0017","15.378","0.003","18.919","0.004","90","","90","","90","","2263","0.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl3 N3 O2 Rh -","- C20 H23 Cl3 N3 O2 Rh -","- C80 H92 Cl12 N12 O8 Rh4 -","4","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0525","0.0454","","","0.0965","0.0992","","","","","","0.996","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127570","7.6256","0.0004","7.4766","0.0003","9.9777","0.0005","90","","108.663","0.002","90","","538.95","0.05","100","2","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C28 H24 O4 -","2","1","","Zheng, Hao; Ye, Hebo; Yu, Xiaoxia; You, Lei","Interplay between n→π* Interactions and Dynamic Covalent Bonds: Quantification and Modulation by Solvent Effects.","Journal of the American Chemical Society","2019","141","22","8825","8833","10.1021/jacs.9b01006","","","0.71073","MoKα","","0.0294","0.0269","","","0.0861","0.097","","","","","","1.294","","","","has coordinates","220783","2020-10-21","18:00:00",""
"4127571","10.53","0.004","7.555","0.003","15.466","0.006","90","","105.601","0.005","90","","1185.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O S -","- C14 H12 O S -","- C56 H48 O4 S4 -","4","1","","Zheng, Hao; Ye, Hebo; Yu, Xiaoxia; You, Lei","Interplay between n→π* Interactions and Dynamic Covalent Bonds: Quantification and Modulation by Solvent Effects.","Journal of the American Chemical Society","2019","141","22","8825","8833","10.1021/jacs.9b01006","","","0.71073","MoKα","","0.0424","0.0359","","","0.0984","0.1029","","","","","","1.049","","","","has coordinates","220783","2020-10-21","18:00:00",""
"4127572","29.482","0.006","30.095","0.006","33.669","0.007","97.35","0.03","93.16","0.03","112.74","0.03","27146","12","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C188 H88 B2 F8 N16 O16 Pd2 -","- C188 H88 B2 F8 N16 O16 Pd2 -","- C1128 H528 B12 F48 N96 O96 Pd12 -","6","3","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","0.6888","synchrotron","","0.115","0.0887","","","0.282","0.3067","","","","","","1.165","","","","has coordinates,has disorder","220784","2020-10-21","18:00:00",""
"4127573","16.884","0.003","19.386","0.004","32.974","0.007","90","","103.27","0.03","90","","10505","4","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C160 H104 B4 F16 N16 O16 Pd2 -","- C160 H104 B4 F16 N16 O16 Pd2 -","- C320 H208 B8 F32 N32 O32 Pd4 -","2","0.5","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","0.6888","synchrotron","","0.0947","0.0791","","","0.2484","0.2696","","","","","","1.074","","","","has coordinates","220785","2020-10-21","18:00:00",""
"4127574","18.628","0.004","37.428","0.008","25.814","0.005","90","","92.11","0.03","90","","17986","6","80","2","80","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C214 H126 B2 Cl2 F8 N14 O16 Pd2 -","- C214 H126 B2 Cl2 F8 N14 O16 Pd2 -","- C856 H504 B8 Cl8 F32 N56 O64 Pd8 -","4","1","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","0.6888","synchrotron","","0.1517","0.123","","","0.3579","0.3816","","","","","","1.474","","","","has coordinates,has disorder","220786","2020-10-21","18:00:00",""
"4127575","18.9931","0.0018","20.6975","0.0019","24.287","0.002","69.678","0.006","72.978","0.006","69.473","0.006","8224.3","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C192 H96 B4 F16 N18 O12 Pd2 -","- C192 H96 B4 F16 N18 O12 Pd2 -","- C384 H192 B8 F32 N36 O24 Pd4 -","2","1","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","1.54178","CuKα","","0.1412","0.0994","","","0.2438","0.2675","","","","","","1.063","","","","has coordinates,has disorder","220787","2020-10-21","18:00:00",""
"4127576","7.3461","0.0002","8.2067","0.0003","23.9093","0.0008","90","","93.499","0.002","90","","1438.74","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H26 N4 O4 -","- C40 H26 N4 O4 -","- C80 H52 N8 O8 -","2","1","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","1.54178","CuKα","","0.0321","0.029","","","0.0703","0.0717","","","","","","1.053","","","","has coordinates","220788","2020-10-21","18:00:00",""
"4127577","15.689","0.003","17.074","0.003","17.522","0.004","112.9","0.03","113.54","0.03","90.59","0.03","3887","2","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H88 B4 F16 N16 O16 Pd2 -","- C128 H88 B4 F16 N16 O16 Pd2 -","- C128 H88 B4 F16 N16 O16 Pd2 -","1","0.5","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","0.6888","synchrotron","","0.0949","0.0801","","","0.2478","0.2626","","","","","","1.049","","","","has coordinates,has disorder","220789","2020-10-21","18:00:00",""
"4127578","15.3169","0.0012","8.695","0.0007","11.702","0.0009","90","","102.131","0.0016","90","","1523.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","KZ1","","","- C16 H27 N O3 -","- C16 H27 N O3 -","- C64 H108 N4 O12 -","4","1","","Zhao, Kuo; Yamashita, Kenji; Carpenter, Joseph E.; Sherwood, Trevor C.; Ewing, William R.; Cheng, Peter T. W.; Knowles, Robert R.","Catalytic Ring Expansions of Cyclic Alcohols Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","141","22","8752","8757","10.1021/jacs.9b03973","","","0.71073","MoKα","","0.0507","0.0421","","","0.1099","0.115","","","","","","1.063","","","","has coordinates","220790","2020-10-21","18:00:00",""
"4127579","6.6727","0.0001","17.8456","0.0004","12.3622","0.0003","90","","98.4333","0.0007","90","","1456.15","0.05","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","KZ3","","","- C14 H25 N O3 -","- C14 H25 N O3 -","- C56 H100 N4 O12 -","4","1","","Zhao, Kuo; Yamashita, Kenji; Carpenter, Joseph E.; Sherwood, Trevor C.; Ewing, William R.; Cheng, Peter T. W.; Knowles, Robert R.","Catalytic Ring Expansions of Cyclic Alcohols Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","141","22","8752","8757","10.1021/jacs.9b03973","","","1.54178","CuKα","","0.0225","0.0222","","","0.0548","0.0549","","","","","","1.074","","","","has coordinates","220791","2020-10-21","18:00:00",""
"4127580","12.564","0.0005","9.2554","0.0004","12.341","0.0005","90","","91.5498","0.0012","90","","1434.55","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","KZ-I-417","","","- C14 H25 N O3 -","- C14 H25 N O3 -","- C56 H100 N4 O12 -","4","1","","Zhao, Kuo; Yamashita, Kenji; Carpenter, Joseph E.; Sherwood, Trevor C.; Ewing, William R.; Cheng, Peter T. W.; Knowles, Robert R.","Catalytic Ring Expansions of Cyclic Alcohols Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","141","22","8752","8757","10.1021/jacs.9b03973","","","1.54178","CuKα","","0.035","0.0337","","","0.0796","0.0806","","","","","","1.034","","","","has coordinates","220792","2020-10-21","18:00:00",""
"4127581","6.7263","0.0005","9.6206","0.0007","10.0133","0.0007","114.987","0.002","102.242","0.002","94.169","0.002","564.26","0.07","100","2","100","2","","","","","","","","3","P 1","P 1","1","KY1-Mo","","","- C28 H40 O2 -","- C28 H40 O2 -","- C28 H40 O2 -","1","1","","Zhao, Kuo; Yamashita, Kenji; Carpenter, Joseph E.; Sherwood, Trevor C.; Ewing, William R.; Cheng, Peter T. W.; Knowles, Robert R.","Catalytic Ring Expansions of Cyclic Alcohols Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","141","22","8752","8757","10.1021/jacs.9b03973","","","0.71073","MoKα","","0.0347","0.032","","","0.0876","0.0899","","","","","","1.028","","","","has coordinates","220793","2020-10-21","18:00:00",""
"4127582","23.0932","0.0015","8.0164","0.0004","20.0514","0.0018","90","","105.212","0.008","90","","3581.9","0.5","200","","200","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C21 H12 N12 O6 -","- C21 H12 N12 O6 -","- C84 H48 N48 O24 -","4","0.5","","Han, Bin; Wang, Hailong; Wang, Chiming; Wu, Hui; Zhou, Wei; Chen, Banglin; Jiang, Jianzhuang","Postsynthetic Metalation of a Robust Hydrogen-Bonded Organic Framework for Heterogeneous Catalysis.","Journal of the American Chemical Society","2019","141","22","8737","8740","10.1021/jacs.9b03766","","","1.54178","CuKα","","0.0862","0.074","","","0.2145","0.2254","","","","","","1.061","","","","has coordinates","220794","2020-10-21","18:00:00",""
"4127583","8.5938","0.0003","12.6025","0.0005","18.7895","0.0007","90.27","0.002","98.808","0.002","103.186","0.002","1956.29","0.13","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Cl F12 N5 P2 -","- C30 H42 Cl F12 N5 P2 -","- C60 H84 Cl2 F24 N10 P4 -","2","1","","Plajer, Alex J.; Zhu, Jinbo; Proehm, Patrick; Bond, Andrew D.; Keyser, Ulrich F.; Wright, Dominic S.","Tailoring the Binding Properties of Phosphazane Anion Receptors and Transporters.","Journal of the American Chemical Society","2019","141","22","8807","8815","10.1021/jacs.9b00504","","","1.54178","CuKα","","0.0752","0.0524","","","0.1161","0.1289","","","","","","1.038","","","","has coordinates,has disorder","220795","2020-10-21","18:00:00",""
"4127584","12.5792","0.0004","12.9314","0.0004","15.3966","0.0005","102.596","0.0014","96.241","0.002","113.505","0.0013","2187.18","0.13","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H47 Cl F12 N5 O0.5 P2 Se2 -","- C30 H42 Cl F12 N5 P2 Se2 -","- C60 H84 Cl2 F24 N10 P4 Se4 -","2","1","","Plajer, Alex J.; Zhu, Jinbo; Proehm, Patrick; Bond, Andrew D.; Keyser, Ulrich F.; Wright, Dominic S.","Tailoring the Binding Properties of Phosphazane Anion Receptors and Transporters.","Journal of the American Chemical Society","2019","141","22","8807","8815","10.1021/jacs.9b00504","","","1.54178","CuKα","","0.0598","0.0431","","","0.0996","0.1078","","","","","","1.019","","","","has coordinates","220796","2020-10-21","18:00:00",""
"4127585","12.4964","0.0004","13.1178","0.0004","15.3713","0.0005","87.935","0.002","82.314","0.002","67.01","0.002","2298.41","0.13","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cl F24 N5 P2 -","- C38 H30 Cl F24 N5 P2 -","- C76 H60 Cl2 F48 N10 P4 -","2","1","","Plajer, Alex J.; Zhu, Jinbo; Proehm, Patrick; Bond, Andrew D.; Keyser, Ulrich F.; Wright, Dominic S.","Tailoring the Binding Properties of Phosphazane Anion Receptors and Transporters.","Journal of the American Chemical Society","2019","141","22","8807","8815","10.1021/jacs.9b00504","","","1.54178","CuKα","","0.0792","0.0632","","","0.1583","0.1733","","","","","","1.037","","","","has coordinates,has disorder","220797","2020-10-21","18:00:00",""
"4127586","13.9922","0.0004","14.11","0.0004","21.4076","0.0006","90","","93.5574","0.0014","90","","4218.4","0.2","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Au2 Cl3 F12 N5 P2 -","- C30 H42 Au2 Cl3 F12 N5 P2 -","- C120 H168 Au8 Cl12 F48 N20 P8 -","4","1","","Plajer, Alex J.; Zhu, Jinbo; Proehm, Patrick; Bond, Andrew D.; Keyser, Ulrich F.; Wright, Dominic S.","Tailoring the Binding Properties of Phosphazane Anion Receptors and Transporters.","Journal of the American Chemical Society","2019","141","22","8807","8815","10.1021/jacs.9b00504","","","1.54178","CuKα","","0.0459","0.0296","","","0.0527","0.057","","","","","","1.013","","","","has coordinates,has disorder","220798","2020-10-21","18:00:00",""
"4127587","6.602","0.0002","21.2549","0.0006","11.3873","0.0003","90","","103.046","0.001","90","","1556.68","0.08","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 Br2 N O -","- C17 H15 Br2 N O -","- C68 H60 Br8 N4 O4 -","4","2","","Allen, Jamie R.; Bahamonde, Ana; Furukawa, Yukino; Sigman, Matthew S.","Enantioselective N-Alkylation of Indoles via an Intermolecular Aza-Wacker-Type Reaction.","Journal of the American Chemical Society","2019","141","22","8670","8674","10.1021/jacs.9b01476","","","0.71073","MoKα","","0.0422","0.0298","","","0.0615","0.0643","","","","","","1.039","","","","has coordinates,has disorder","220799","2020-10-21","18:00:00",""
"4127588","13.106","0.0006","19.2811","0.0011","25.7572","0.0014","90","","97.696","0.002","90","","6450.2","0.6","151","2","151","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H56 F20 N4 O3 Ru -","- C70 H56 F20 N4 O3 Ru -","- C280 H224 F80 N16 O12 Ru4 -","4","1","","Wang, Hai-Xu; Wan, Qingyun; Wu, Kai; Low, Kam-Hung; Yang, Chen; Zhou, Cong-Ying; Huang, Jie-Sheng; Che, Chi-Ming","Ruthenium(II) Porphyrin Quinoid Carbene Complexes: Synthesis, Crystal Structure, and Reactivity toward Carbene Transfer and Hydrogen Atom Transfer Reactions.","Journal of the American Chemical Society","2019","141","22","9027","9046","10.1021/jacs.9b03357","","","0.71073","MoKα","","0.0632","0.0395","","","0.0746","0.0829","","","","","","1.023","","","","has coordinates,has disorder","220800","2020-10-21","18:00:00",""
"4127589","10.8495","0.0006","6.8023","0.0003","16.472","0.0009","90","","107.56","0.002","90","","1159.01","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 Br2 N O2 -","- C12 H7 Br2 N O2 -","- C48 H28 Br8 N4 O8 -","4","1","","Wang, Hai-Xu; Wan, Qingyun; Wu, Kai; Low, Kam-Hung; Yang, Chen; Zhou, Cong-Ying; Huang, Jie-Sheng; Che, Chi-Ming","Ruthenium(II) Porphyrin Quinoid Carbene Complexes: Synthesis, Crystal Structure, and Reactivity toward Carbene Transfer and Hydrogen Atom Transfer Reactions.","Journal of the American Chemical Society","2019","141","22","9027","9046","10.1021/jacs.9b03357","","","0.71073","MoKα","","0.0389","0.0305","","","0.0764","0.0811","","","","","","1.083","","","","has coordinates","220801","2020-10-21","18:00:00",""
"4127590","17.3283","0.0008","18.8683","0.001","20.1718","0.001","90","","108.391","0.003","90","","6258.4","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H78 N4 O3 Ru -","- C72 H78 N4 O3 Ru -","- C288 H312 N16 O12 Ru4 -","4","1","","Wang, Hai-Xu; Wan, Qingyun; Wu, Kai; Low, Kam-Hung; Yang, Chen; Zhou, Cong-Ying; Huang, Jie-Sheng; Che, Chi-Ming","Ruthenium(II) Porphyrin Quinoid Carbene Complexes: Synthesis, Crystal Structure, and Reactivity toward Carbene Transfer and Hydrogen Atom Transfer Reactions.","Journal of the American Chemical Society","2019","141","22","9027","9046","10.1021/jacs.9b03357","","","1.54178","CuKα","","0.0862","0.0689","","","0.1803","0.202","","","","","","1.049","","","","has coordinates","220802","2020-10-21","18:00:00",""
"4127591","15.9947","0.0017","19.257","0.002","19.861","0.002","90","","95.902","0.004","90","","6085","1.1","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H64 Br2 Cl2 N4 O3 Ru -","- C63 H58 Br2 N4 O2 Ru -","- C252 H232 Br8 N16 O8 Ru4 -","4","1","","Wang, Hai-Xu; Wan, Qingyun; Wu, Kai; Low, Kam-Hung; Yang, Chen; Zhou, Cong-Ying; Huang, Jie-Sheng; Che, Chi-Ming","Ruthenium(II) Porphyrin Quinoid Carbene Complexes: Synthesis, Crystal Structure, and Reactivity toward Carbene Transfer and Hydrogen Atom Transfer Reactions.","Journal of the American Chemical Society","2019","141","22","9027","9046","10.1021/jacs.9b03357","","","1.34138","GaKα","","0.133","0.1055","","","0.2264","0.2385","","","","","","1.113","","","","has coordinates,has disorder","220803","2020-10-21","18:00:00",""
"4127592","8.2926","0.0018","8.5989","0.0018","24.551","0.006","90","","90","","90","","1750.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Ge, Yao; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Ir-Catalyzed Double Asymmetric Hydrogenation of 3,6-Dialkylidene-2,5-diketopiperazines for Enantioselective Synthesis of Cyclic Dipeptides.","Journal of the American Chemical Society","2019","141","22","8981","8988","10.1021/jacs.9b02920","","","0.71073","MoKα","","0.0561","0.0443","","","0.1064","0.1136","","","","","","1.036","","","","has coordinates","220804","2020-10-21","18:00:00",""
"4127593","15.231","0.0007","14.0585","0.0006","7.9797","0.0004","90","","100.429","0.002","90","","1680.43","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Ge, Yao; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Ir-Catalyzed Double Asymmetric Hydrogenation of 3,6-Dialkylidene-2,5-diketopiperazines for Enantioselective Synthesis of Cyclic Dipeptides.","Journal of the American Chemical Society","2019","141","22","8981","8988","10.1021/jacs.9b02920","","","0.71073","MoKα","","0.0491","0.0397","","","0.093","0.1","","","","","","1.034","","","","has coordinates","220805","2020-10-21","18:00:00",""
"4127594","11.9533","0.0004","11.9161","0.0004","12.8876","0.0004","90","","117.574","0.001","90","","1627.16","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Ge, Yao; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Ir-Catalyzed Double Asymmetric Hydrogenation of 3,6-Dialkylidene-2,5-diketopiperazines for Enantioselective Synthesis of Cyclic Dipeptides.","Journal of the American Chemical Society","2019","141","22","8981","8988","10.1021/jacs.9b02920","","","0.71073","MoKα","","0.0561","0.0418","","","0.1042","0.1154","","","","","","1.032","","","","has coordinates","220806","2020-10-21","18:00:00",""
"4127595","22.2486","0.001","7.9023","0.0004","12.0937","0.0006","90","","90","","90","","2126.26","0.18","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Ge, Yao; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Ir-Catalyzed Double Asymmetric Hydrogenation of 3,6-Dialkylidene-2,5-diketopiperazines for Enantioselective Synthesis of Cyclic Dipeptides.","Journal of the American Chemical Society","2019","141","22","8981","8988","10.1021/jacs.9b02920","","","0.71073","MoKα","","0.0634","0.0484","","","0.1174","0.1268","","","","","","0.992","","","","has coordinates","220807","2020-10-21","18:00:00",""
"4127596","10.2926","0.0002","10.4476","0.0003","12.0917","0.0003","97.2017","0.0014","108.023","0.0013","106.001","0.0013","1156.56","0.05","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","dimethyl [2,2'-bifuran]-3,4'-dicarboxylate","","- C12 H10 O6 -","- C12 H10 O6 -","- C48 H40 O24 -","4","2","","Varni, Anthony J.; Fortney, Andria; Baker, Matthew A.; Worch, Joshua C.; Qiu, Yunyan; Yaron, David; Bernhard, Stefan; Noonan, Kevin J. T.; Kowalewski, Tomasz","Photostable Helical Polyfurans.","Journal of the American Chemical Society","2019","141","22","8858","8867","10.1021/jacs.9b01567","","","0.71073","MoKα","","0.0953","0.0631","","","0.1506","0.1862","","","","","","0.799","","","","has coordinates","220808","2020-10-21","18:00:00",""
"4127597","24.92","0.02","8.848","0.008","19.069","0.016","90","","137.02","0.03","90","","2866","5","293","2","293.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H26.5 B0.5 F12 N0.5 O5.5 -","- C26 H26.5 B0.5 F12 N0.5 O5.5 -","- C104 H106 B2 F48 N2 O22 -","4","1","","Wang, Xiang; Shyshov, Oleksandr; Hanževački, Marko; Jäger, Christof M; von Delius, Max","Ammonium Complexes of Orthoester Cryptands Are Inherently Dynamic and Adaptive.","Journal of the American Chemical Society","2019","141","22","8868","8876","10.1021/jacs.9b01350","","","0.71073","MoKα","","0.0617","0.0495","","","0.1168","0.1254","","","","","","1.045","","","","has coordinates,has disorder","220809","2020-10-21","18:00:00",""
"4127598","11.1875","0.0008","7.2452","0.0005","17.2577","0.0012","90","","90","","90","","1398.83","0.17","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 Cl2 Ga N2 -","- C13 H15 Cl2 Ga N2 -","- C52 H60 Cl8 Ga4 N8 -","4","0.5","","Wan, Wang; Silva, Mayura S.; McMillen, Colin D.; Creager, Stephen E.; Smith, Rhett C.","Highly Luminescent Heavier Main Group Analogues of Boron-Dipyrromethene.","Journal of the American Chemical Society","2019","141","22","8703","8707","10.1021/jacs.9b03235","","","0.71073","MoKα","","0.0297","0.0231","","","0.0514","0.0535","","","","","","1.088","","","","has coordinates,has disorder","220810","2020-10-21","18:00:00",""
"4127599","8.6289","0.0003","13.4611","0.0006","17.3748","0.0008","109.968","0.002","97.648","0.002","96.762","0.002","1850.89","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Cl2 Ga N2 -","- C17 H23 Cl2 Ga N2 -","- C68 H92 Cl8 Ga4 N8 -","4","2","","Wan, Wang; Silva, Mayura S.; McMillen, Colin D.; Creager, Stephen E.; Smith, Rhett C.","Highly Luminescent Heavier Main Group Analogues of Boron-Dipyrromethene.","Journal of the American Chemical Society","2019","141","22","8703","8707","10.1021/jacs.9b03235","","","0.71073","MoKα","","0.1145","0.0547","","","0.1306","0.1777","","","","","","1.031","","","","has coordinates,has disorder","220810","2020-10-21","18:00:00",""
"4127600","13.1436","0.0003","38.6728","0.0006","13.8852","0.0001","90","","101.61","0.002","90","","6913.4","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C75 H105 Mg2 N6 -","- C75 H105 Mg2 N6 -","- C300 H420 Mg8 N24 -","4","1","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.1132","0.1038","","","0.2697","0.2771","","","","","","1.064","","","","has coordinates","220812","2020-10-21","18:00:00",""
"4127601","12.1084","0.0002","23.7535","0.0003","20.6189","0.0003","90","","105.161","0.002","90","","5723.94","0.16","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C61 H86 Mg2 N6 -","- C61 H86 Mg2 N6 -","- C244 H344 Mg8 N24 -","4","2","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.049","0.0451","","","0.1169","0.1199","","","","","","1.04","","","","has coordinates","220813","2020-10-21","18:00:00",""
"4127602","11.3076","0.0002","12.1875","0.0003","14.7195","0.0003","80.021","0.002","79.085","0.002","78.468","0.002","1932.18","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 Mg N5 -","- C40 H56 Mg N5 -","- C80 H112 Mg2 N10 -","2","1","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.081","0.0751","","","0.2251","0.2324","","","","","","1.054","","","","has coordinates","220814","2020-10-21","18:00:00",""
"4127603","14.87","0.003","22.51","0.005","23.06","0.005","110.59","0.03","93.04","0.03","107.64","0.03","6775","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C142 H194 Mg4 N12 O6 -","- C142 H194 Mg4 N12 O6 -","- C284 H388 Mg8 N24 O12 -","2","1","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","0.7109","Synchrotron","","0.0715","0.0542","","","0.1363","0.1471","","","","","","1.034","","","","has coordinates,has disorder","220815","2020-10-21","18:00:00",""
"4127604","12.5299","0.0002","27.8387","0.0004","13.9241","0.0002","90","","107.969","0.002","90","","4620.05","0.13","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H62 Mg2 N6 -","- C49 H62 Mg2 N6 -","- C196 H248 Mg8 N24 -","4","1","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.0641","0.0539","","","0.1362","0.1427","","","","","","1.022","","","","has coordinates","220816","2020-10-21","18:00:00",""
"4127605","19.6232","0.0001","16.9557","0.0001","20.7704","0.0001","90","","106.957","0.001","90","","6610.38","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H100.2 Mg2 N6 O0.2 -","- C72 H100.2 Mg2 N6 O0.2 -","- C288 H400.8 Mg8 N24 O0.8 -","4","1","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.0473","0.0447","","","0.1179","0.1197","","","","","","1.03","","","","has coordinates","220817","2020-10-21","18:00:00",""
"4127606","14.2869","0.0002","15.1785","0.0002","20.5089","0.0002","70.69","0.001","74.999","0.001","66.558","0.001","3808.97","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C164 H216 Mg4 N12 O6 -","- C164 H216 Mg4 N12 O6 -","- C164 H216 Mg4 N12 O6 -","1","0.5","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.041","0.0393","","","0.1039","0.1051","","","","","","1.03","","","","has coordinates","220818","2020-10-21","18:00:00",""
"4127607","12.7134","0.0009","12.8099","0.001","33.101","0.003","86.539","0.002","79.62","0.002","72.556","0.002","5058.5","0.7","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H70 Mg2 N6 -","- C53 H70 Mg2 N6 -","- C212 H280 Mg8 N24 -","4","2","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","0.71073","MoKα","","0.198","0.0741","","","0.1133","0.146","","","","","","1.001","","","","has coordinates","220819","2020-10-21","18:00:00",""
"4127608","9.6512","0.0004","13.5252","0.0004","17.6863","0.0006","90","","100.782","0.004","90","","2267.91","0.14","179.98","0.1","179.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H76 Cl2 N4 Sc2 -","- C42 H76 Cl2 N4 Sc2 -","- C84 H152 Cl4 N8 Sc4 -","2","0.5","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0392","0.0335","","","0.0844","0.0885","","","","","","1.105","","","","has coordinates,has disorder","220820","2020-10-21","18:00:00",""
"4127609","10.0734","0.0002","10.7038","0.0003","11.7518","0.0003","106.529","0.002","109.932","0.002","94.521","0.002","1120.05","0.05","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H76 N6 Sc2 -","- C42 H76 N6 Sc2 -","- C42 H76 N6 Sc2 -","1","0.5","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0277","0.0265","","","0.0729","0.0738","","","","","","1.075","","","","has coordinates","220820","2020-10-21","18:00:00",""
"4127610","14.6301","0.0003","16.8287","0.0005","18.4005","0.0005","113.865","0.003","95.582","0.002","102.815","0.002","3949.9","0.2","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H112 K N8 O6 Sc2 -","- C60 H112 K N8 O6 Sc2 -","- C120 H224 K2 N16 O12 Sc4 -","2","1","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0423","0.0356","","","0.0973","0.1018","","","","","","1.026","","","","has coordinates,has disorder","220820","2020-10-21","18:00:00",""
"4127611","11.5267","0.0002","13.7143","0.0003","14.9888","0.0003","77.391","0.002","89.362","0.002","89.452","0.002","2312.09","0.08","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C44 H82 N6 Sc2 -","- C44 H82 N6 Sc2 -","- C88 H164 N12 Sc4 -","2","1","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0381","0.0317","","","0.0872","0.0909","","","","","","1.048","","","","has coordinates","220820","2020-10-21","18:00:00",""
"4127612","9.6058","0.0002","13.9131","0.0002","17.8895","0.0003","90","","101.269","0.002","90","","2344.77","0.07","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H76 I2 N4 Sc2 -","- C42 H76 I2 N4 Sc2 -","- C84 H152 I4 N8 Sc4 -","2","0.5","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0272","0.025","","","0.0666","0.0686","","","","","","1.075","","","","has coordinates,has disorder","220820","2020-10-21","18:00:00",""
"4127613","9.6328","0.0003","13.6495","0.0004","17.778","0.0005","90","","100.739","0.003","90","","2296.56","0.12","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H76 Br2 N4 Sc2 -","- C42 H76 Br2 N4 Sc2 -","- C84 H152 Br4 N8 Sc4 -","2","0.5","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0345","0.0304","","","0.0863","0.0888","","","","","","1.053","","","","has coordinates,has disorder","220820","2020-10-21","18:00:00",""
"4127614","10.3715","0.0002","32.6101","0.0007","14.2088","0.0003","90","","98.785","0.002","90","","4749.26","0.17","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H82 N6 O Sc2 -","- C45 H82 N6 O Sc2 -","- C180 H328 N24 O4 Sc8 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0749","0.0613","","","0.1412","0.1486","","","","","","1.056","","","","has coordinates,has disorder","220820","2020-10-21","18:00:00",""
"4127615","15.9736","0.0003","5.3198","0.0001","20.0252","0.0004","90","","96.278","0.002","90","","1691.46","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O2 S Se -","- C20 H16 O2 S Se -","- C80 H64 O8 S4 Se4 -","4","1","","Gao, Qingqing; Xiong, Ling-Hong; Han, Ting; Qiu, Zijie; He, Xuewen; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Three-Component Regio- and Stereoselective Polymerizations toward Functional Chalcogen-Rich Polymers with AIE-Activities.","Journal of the American Chemical Society","2019","141","37","14712","14719","10.1021/jacs.9b06493","","x-ray","1.54184","CuKα","","0.0303","0.0259","","","0.0593","0.0613","","","","","","1.029","","","","has coordinates,has disorder","220821","2020-10-21","18:00:00",""
"4127616","11.1215","0.0002","14.9694","0.0002","28.8591","0.0004","90","","90","","90","","4804.53","0.13","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 O2 S -","- C14 H10 O2 S -","- C224 H160 O32 S16 -","16","2","","Gao, Qingqing; Xiong, Ling-Hong; Han, Ting; Qiu, Zijie; He, Xuewen; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Three-Component Regio- and Stereoselective Polymerizations toward Functional Chalcogen-Rich Polymers with AIE-Activities.","Journal of the American Chemical Society","2019","141","37","14712","14719","10.1021/jacs.9b06493","","x-ray","1.54184","CuKα","","0.033","0.0293","","","0.0795","0.082","","","","","","1.011","","","","has coordinates","220822","2020-10-21","18:00:00",""
"4127617","6.067","0.0003","13.3231","0.0007","51.133","0.003","90","","90","","90","","4133.1","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","YJT_boariol_422","","","- C15 H26 O3 -","- C15 H26 O3 -","- C180 H312 O36 -","12","3","","Hu, Xirui; Musacchio, Andrew J.; Shen, Xingyu; Tao, Yujia; Maimone, Thomas J.","Allylative Approaches to the Synthesis of Complex Guaianolide Sesquiterpenes from Apiaceae and Asteraceae.","Journal of the American Chemical Society","2019","141","37","14904","14915","10.1021/jacs.9b08001","","","1.54178","CuKα","","0.1198","0.1102","","","0.2872","0.2935","","","","","","1.069","","","","has coordinates","220823","2020-10-21","18:00:00",""
"4127618","10.2586","0.0007","18.0776","0.0011","12.3309","0.0009","90","","101.266","0.003","90","","2242.7","0.3","100","","100.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cl4 F Ir N O3 -","- C21 H23 Cl4 F Ir N O3 -","- C84 H92 Cl16 F4 Ir4 N4 O12 -","4","1","","Sorlin, Alexandre M.; Mixdorf, Jason C.; Rotella, Madeline E.; Martin, Robert T.; Gutierrez, Osvaldo; Nguyen, Hien M.","The Role of Trichloroacetimidate To Enable Iridium-Catalyzed Regio- and Enantioselective Allylic Fluorination: A Combined Experimental and Computational Study.","Journal of the American Chemical Society","2019","141","37","14843","14852","10.1021/jacs.9b07575","","","0.71073","MoKα","","0.0353","0.0235","","","0.0387","0.0409","","","","","","1.056","","","","has coordinates","220824","2020-10-21","18:00:00",""
"4127619","15.7232","0.0004","16.4364","0.0004","15.5875","0.0004","90","","99.011","0.001","90","","3978.6","0.17","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H104 N12 O16 Pd4 -","- C67 H104 N12 O16 Pd4 -","- C134 H208 N24 O32 Pd8 -","2","0.25","","Le, Ky Khac Anh; Nguyen, Hanh; Daugulis, Olafs","1-Aminopyridinium Ylides as Monodentate Directing Groups for sp<sup>3</sup> C-H Bond Functionalization.","Journal of the American Chemical Society","2019","141","37","14728","14735","10.1021/jacs.9b06643","","","1.54178","CuKα","","0.027","0.0261","","","0.0755","0.0767","","","","","","1.075","","","","has coordinates,has disorder","220825","2020-10-21","18:00:00",""
"4127620","15.2506","0.0017","12.5209","0.001","16.3061","0.0014","90","","105.075","0.01","90","","3006.5","0.5","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H69 F6 N7 O10 -","- C58 H69 F6 N7 O10 -","- C116 H138 F12 N14 O20 -","2","1","","Morimoto, Jumpei; Fukuda, Yasuhiro; Kuroda, Daisuke; Watanabe, Takumu; Yoshida, Fumihiko; Asada, Mizue; Nakamura, Toshikazu; Senoo, Akinobu; Nagatoishi, Satoru; Tsumoto, Kouhei; Sando, Shinsuke","A Peptoid with Extended Shape in Water.","Journal of the American Chemical Society","2019","141","37","14612","14623","10.1021/jacs.9b04371","","","0.71073","MoKα","","0.2153","0.0961","","","0.1938","0.2476","","","","","","0.996","","","","has coordinates","220826","2020-10-21","18:00:00",""
"4127621","20.3578","0.0007","15.3176","0.0005","19.7253","0.0006","90","","98.675","0.001","90","","6080.6","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H73 B4 F3 N4 O7 S -","- C61 H73 B4 F3 N4 O7 S -","- C244 H292 B16 F12 N16 O28 S4 -","4","0.5","","Brückner, Tobias; Stennett, Tom E.; Heß, Merlin; Braunschweig, Holger","Single and Double Hydroboration of B-B Triple Bonds and Convergent Routes to a Cationic Tetraborane.","Journal of the American Chemical Society","2019","141","37","14898","14903","10.1021/jacs.9b07991","","","0.71073","MoKα","","0.1095","0.1022","","","0.2562","0.2609","","","","","","1.101","","","","has coordinates,has disorder","220827","2020-10-21","18:00:00",""
"4127622","19.5024","0.0006","11.4232","0.0003","23.203","0.0007","90","","110.981","0.001","90","","4826.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H69 B3 N4 O2 -","- C54 H69 B3 N4 O2 -","- C216 H276 B12 N16 O8 -","4","1","","Brückner, Tobias; Stennett, Tom E.; Heß, Merlin; Braunschweig, Holger","Single and Double Hydroboration of B-B Triple Bonds and Convergent Routes to a Cationic Tetraborane.","Journal of the American Chemical Society","2019","141","37","14898","14903","10.1021/jacs.9b07991","","","0.71073","MoKα","","0.0536","0.0403","","","0.0962","0.1063","","","","","","1.042","","","","has coordinates","220828","2020-10-21","18:00:00",""
"4127623","10.3336","0.0004","12.7293","0.0005","13.7552","0.0006","100.879","0.002","108.559","0.002","113.05","0.001","1472.97","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H80 B4 N4 O4 -","- C66 H80 B4 N4 O4 -","- C66 H80 B4 N4 O4 -","1","0.5","","Brückner, Tobias; Stennett, Tom E.; Heß, Merlin; Braunschweig, Holger","Single and Double Hydroboration of B-B Triple Bonds and Convergent Routes to a Cationic Tetraborane.","Journal of the American Chemical Society","2019","141","37","14898","14903","10.1021/jacs.9b07991","","","0.71073","MoKα","","0.0523","0.0419","","","0.0935","0.1003","","","","","","1.042","","","","has coordinates","220829","2020-10-21","18:00:00",""
"4127624","14.771","0.0001","15.4918","0.0002","15.641","0.0002","61.452","0.001","68.229","0.001","67.388","0.001","2823.93","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C76 H80 Ag12 F18 N8 O12 S6 -","- C76 H80 Ag12 F18 N8 O12 S6 -","- C76 H80 Ag12 F18 N8 O12 S6 -","1","0.5","","Cao, Man; Pang, Rui; Wang, Qian-You; Han, Zhen; Wang, Zhao-Yang; Dong, Xi-Yan; Li, Shun-Fang; Zang, Shuang-Quan; Mak, Thomas C. W.","Porphyrinic Silver Cluster Assembled Material for Simultaneous Capture and Photocatalysis of Mustard-Gas Simulant.","Journal of the American Chemical Society","2019","141","37","14505","14509","10.1021/jacs.9b05952","","x-ray","1.54184","CuKα","","0.0395","0.0384","","","0.1016","0.1026","","","","","","1.057","","","","has coordinates,has disorder","220830","2020-10-21","18:00:00",""
"4127625","26.742","0.003","26.742","0.003","16.8667","0.0019","90","","90","","120","","10446","2","153","2","153","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C33 H15 Cl Fe3 N3 O19 -","- C33 H15 Cl Fe3 N3 O19 -","- C198 H90 Cl6 Fe18 N18 O114 -","6","0.5","","Song, Xiaohui; Zhang, Mingxing; Chen, Cong; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng","Pure-Supramolecular-Linker Approach to Highly Connected Metal-Organic Frameworks for CO<sub>2</sub> Capture.","Journal of the American Chemical Society","2019","141","37","14539","14543","10.1021/jacs.9b07422","","","0.71073","MoKα","","0.2083","0.1338","","","0.3681","0.4121","","","","","","1.105","","","","has coordinates,has disorder","220831","2020-10-21","18:00:00",""
"4127626","27.121","0.008","27.121","0.008","17.508","0.006","90","","90","","120","","11153","6","153","2","153","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C35 H15 N3 O20 Sc3 -","- C35 H16 N3 O20 Sc3 -","- C210 H96 N18 O120 Sc18 -","6","0.5","","Song, Xiaohui; Zhang, Mingxing; Chen, Cong; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng","Pure-Supramolecular-Linker Approach to Highly Connected Metal-Organic Frameworks for CO<sub>2</sub> Capture.","Journal of the American Chemical Society","2019","141","37","14539","14543","10.1021/jacs.9b07422","","","0.71073","MoKα","","0.1909","0.1623","","","0.4097","0.4305","","","","","","1.373","","","","has coordinates","220832","2020-10-21","18:00:00",""
"4127627","13.4604","0.0014","11.9775","0.0012","10.635","0.0011","90","","90","","90","","1714.6","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","","Chen, Ming; Dong, Guangbin","Copper-Catalyzed Desaturation of Lactones, Lactams, and Ketones under pH-Neutral Conditions.","Journal of the American Chemical Society","2019","141","37","14889","14897","10.1021/jacs.9b07932","","","0.71073","MoKα","","0.058","0.0388","","","0.0706","0.0772","","","","","","1.021","","","","has coordinates","220833","2020-10-21","18:00:00",""
"4127628","5.7511","0.0012","7.4747","0.0015","32.771","0.007","90","","90","","90","","1408.8","0.5","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl N O2 -","- C14 H18 Cl N O2 -","- C56 H72 Cl4 N4 O8 -","4","1","","Zhang, Qinglong; Yu, Huimin; Shen, Lulu; Tang, Tianhua; Dong, Dongfang; Chai, Weiwei; Zi, Weiwei","Stereodivergent Coupling of 1,3-Dienes with Aldimine Esters Enabled by Synergistic Pd and Cu Catalysis.","Journal of the American Chemical Society","2019","141","37","14554","14559","10.1021/jacs.9b07600","","","0.71073","MoKα","","0.0525","0.0453","","","0.0975","0.1022","","","","","","1.039","","","","has coordinates","220834","2020-10-21","18:00:00",""
"4127629","10.04","0.003","15.297","0.004","16.237","0.005","105.151","0.005","98.504","0.006","96.468","0.005","2350.5","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 N2 O -","- C33 H22 N2 O -","- C132 H88 N8 O4 -","4","2","","Chen, Wei; Guo, Chenxing; He, Qing; Chi, Xiaodong; Lynch, Vincent M.; Zhang, Zhiyun; Su, Jianhua; Tian, He; Sessler, Jonathan L.","Molecular Cursor Caliper: A Fluorescent Sensor for Dicarboxylate Dianions.","Journal of the American Chemical Society","2019","141","37","14798","14806","10.1021/jacs.9b07170","","","0.71073","MoKα","","0.1695","0.0679","","","0.1661","0.2225","","","","","","0.951","","","","has coordinates","220835","2020-10-21","18:00:00",""
"4127630","9.587","0.002","15.465","0.003","17.164","0.004","90","","102.394","0.004","90","","2485.5","0.9","140","2","140","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 N2 O2 -","- C34 H22 N2 O2 -","- C136 H88 N8 O8 -","4","1","","Chen, Wei; Guo, Chenxing; He, Qing; Chi, Xiaodong; Lynch, Vincent M.; Zhang, Zhiyun; Su, Jianhua; Tian, He; Sessler, Jonathan L.","Molecular Cursor Caliper: A Fluorescent Sensor for Dicarboxylate Dianions.","Journal of the American Chemical Society","2019","141","37","14798","14806","10.1021/jacs.9b07170","","","0.71073","MoKα","","0.158","0.0605","","","0.1102","0.1341","","","","","","0.867","","","","has coordinates","220836","2020-10-21","18:00:00",""
"4127631","10.2435","0.0006","20.2635","0.0012","21.1965","0.0011","107.827","0.005","90.675","0.005","97.043","0.005","4151.2","0.4","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C96 H110 N10 O8 -","- C96 H110 N10 O8 -","- C192 H220 N20 O16 -","2","1","","Chen, Wei; Guo, Chenxing; He, Qing; Chi, Xiaodong; Lynch, Vincent M.; Zhang, Zhiyun; Su, Jianhua; Tian, He; Sessler, Jonathan L.","Molecular Cursor Caliper: A Fluorescent Sensor for Dicarboxylate Dianions.","Journal of the American Chemical Society","2019","141","37","14798","14806","10.1021/jacs.9b07170","","","1.54184","CuKα","","0.1822","0.098","","","0.2445","0.3215","","","","","","1.026","","","","has coordinates,has disorder","220837","2020-10-21","18:00:00",""
"4127632","17.561","0.002","18.084","0.002","29.865","0.003","90","","90","","90","","9484.3","1.8","170","2","170.01","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C90 H124 Cl N2 Pd -","- C90 H124 Cl N2 Pd -","- C360 H496 Cl4 N8 Pd4 -","4","1","","Shen, Di; Xu, Youjun; Shi, Shi-Liang","A Bulky Chiral N-Heterocyclic Carbene Palladium Catalyst Enables Highly Enantioselective Suzuki-Miyaura Cross-Coupling Reactions for the Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2019","141","37","14938","14945","10.1021/jacs.9b08578","","","1.34139","GaKα","","0.1665","0.12","","","0.3163","0.3483","","","","","","1.102","","","","has coordinates","220838","2020-10-21","18:00:00",""
"4127633","12.4332","0.0004","19.3921","0.0006","19.9589","0.0006","90","","90","","90","","4812.2","0.3","170","2","169.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H59 Cl N2 Pd -","- C58 H59 Cl N2 Pd -","- C232 H236 Cl4 N8 Pd4 -","4","1","","Shen, Di; Xu, Youjun; Shi, Shi-Liang","A Bulky Chiral N-Heterocyclic Carbene Palladium Catalyst Enables Highly Enantioselective Suzuki-Miyaura Cross-Coupling Reactions for the Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2019","141","37","14938","14945","10.1021/jacs.9b08578","","","1.34139","GaKα","","0.0942","0.0599","","","0.1162","0.133","","","","","","1.034","","","","has coordinates","220839","2020-10-21","18:00:00",""
"4127634","7.5968","0.0002","8.4886","0.0002","27.1575","0.0005","90","","90","","90","","1751.28","0.07","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C92 H80 O8 -","4","1","","Shen, Di; Xu, Youjun; Shi, Shi-Liang","A Bulky Chiral N-Heterocyclic Carbene Palladium Catalyst Enables Highly Enantioselective Suzuki-Miyaura Cross-Coupling Reactions for the Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2019","141","37","14938","14945","10.1021/jacs.9b08578","","","1.34139","GaKα","","0.0269","0.0264","","","0.0703","0.0707","","","","","","1.065","","","","has coordinates","220840","2020-10-21","18:00:00",""
"4127635","10.48643","0.00015","7.50634","0.00011","12.56284","0.00019","90","","91.0457","0.0013","90","","988.72","0.03","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N -","- C23 H24 Cl N -","- C46 H48 Cl2 N2 -","2","1","","Tran, Gaël; Shao, Wen; Mazet, Clément","Ni-Catalyzed Enantioselective Intermolecular Hydroamination of Branched 1,3-Dienes Using Primary Aliphatic Amines.","Journal of the American Chemical Society","2019","141","37","14814","14822","10.1021/jacs.9b07253","","x-ray","1.54184","CuKα","","0.0298","0.0278","","","0.0705","0.0718","","","","","","1.033","","","","has coordinates","220841","2020-10-21","18:00:00",""
"4127636","12.405","","19.6581","","23.3427","","80.297","","82.671","","71.668","","5309.2","","296","","296","","","","","","","","","5","P 1","P 1","1","","","","- C57 H102 I21 N9 Pb6 -","- C57 H70.5 I21 N9 Pb6 -","- C114 H141 I42 N18 Pb12 -","2","2","","Huang, Po-Jung; Taniguchi, Kouji; Miyasaka, Hitoshi","Bulk Photovoltaic Effect in a Pair of Chiral-Polar Layered Perovskite-Type Lead Iodides Altered by Chirality of Organic Cations.","Journal of the American Chemical Society","2019","141","37","14520","14523","10.1021/jacs.9b06815","","","0.71073","MoKα","","0.1073","0.0859","","","0.1996","0.2164","","","","","","1.054","","","","has coordinates","220842","2020-10-21","18:00:00",""
"4127637","12.3924","0.0002","19.654","0.0004","23.3396","0.0006","80.405","0.002","82.793","0.002","71.672","0.0018","5304.5","0.2","103","","103","","","","","","","","","5","P 1","P 1","1","","","","- C57 H102 I21 N9 Pb6 -","- C57 H80 I21 N9 Pb6 -","- C114 H160 I42 N18 Pb12 -","2","2","","Huang, Po-Jung; Taniguchi, Kouji; Miyasaka, Hitoshi","Bulk Photovoltaic Effect in a Pair of Chiral-Polar Layered Perovskite-Type Lead Iodides Altered by Chirality of Organic Cations.","Journal of the American Chemical Society","2019","141","37","14520","14523","10.1021/jacs.9b06815","","","0.71073","MoKα","","0.097","0.0911","","","0.2369","0.2424","","","","","","1.078","","","","has coordinates","220843","2020-10-21","18:00:00",""
"4127638","10.7278","0.0006","6.6803","0.0004","14.4312","0.0009","90","","107.039","0.003","90","","988.81","0.1","170","2","170.02","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 Cl N2 O2 -","- C22 H21 Cl N2 O2 -","- C44 H42 Cl2 N4 O4 -","2","1","","Wang, Tian-Ci; Fan, Lian-Feng; Shen, Yang; Wang, Pu-Sheng; Gong, Liu-Zhu","Asymmetric Allylic C-H Alkylation of Allyl Ethers with 2-Acylimidazoles.","Journal of the American Chemical Society","2019","141","27","10616","10620","10.1021/jacs.9b05247","","","1.34139","GaKα","","0.0518","0.0478","","","0.1407","0.1465","","","","","","1.112","","","","has coordinates,has disorder","220844","2020-10-21","18:00:00",""
"4127639","20.2004","0.0007","13.0402","0.0004","27.5306","0.0008","90","","105.534","0.003","90","","6987.1","0.4","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H78 Cl4 N2 Ru2 -","- C76 H78 Cl4 N2 Ru2 -","- C304 H312 Cl16 N8 Ru8 -","4","1","","Nascimento, Daniel L.; Gawin, Anna; Gawin, Rafał; Guńka, Piotr A; Zachara, Janusz; Skowerski, Krzysztof; Fogg, Deryn E.","Integrating Activity with Accessibility in Olefin Metathesis: An Unprecedentedly Reactive Ruthenium-Indenylidene Catalyst.","Journal of the American Chemical Society","2019","141","27","10626","10631","10.1021/jacs.9b05362","","x-ray","0.71073","MoKα","","0.1068","0.0502","","","0.0875","0.1055","","","","","","0.962","","","","has coordinates,has disorder","220845","2020-10-21","18:00:00",""
"4127640","19.201","0.0017","8.8414","0.0005","37.707","0.003","90","","119.351","0.009","90","","5579.6","0.9","293","","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H106 I25 N11 Pb7 -","- C31 H106 I25 N11 Pb7 -","- C62 H212 I50 N22 Pb14 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.4073","0.0361","","","0.0817","0.2329","","","","0.99","0.99","0.32","","","","has coordinates","220846","2020-10-21","18:00:00",""
"4127641","45.276","0.002","8.8555","0.0003","19.1635","0.001","90","","113.372","0.004","90","","7053","0.6","293","","293","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H100 I32 N14 O Pb9 -","- C33.64 H132 I32 N9.98 O3.03 Pb9 -","- C67.28 H264 I64 N19.96 O6.06 Pb18 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.176","0.0894","","","0.1591","0.1736","","","","3.38","3.38","2.47","","","","has coordinates","220847","2020-10-21","18:00:00",""
"4127642","62.405","0.005","8.9358","0.0007","8.8712","0.0006","90","","92.947","0.006","90","","4940.4","0.6","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H38 I13 N5 Pb4 -","- C9 H38 I13 N5 Pb4 -","- C36 H152 I52 N20 Pb16 -","4","1","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.2447","0.1161","","","0.2277","0.246","","","","4.44","4.44","2.62","","","","has coordinates","220848","2020-10-21","18:00:00",""
"4127643","19.201","0.0017","8.8414","0.0005","37.707","0.003","90","","119.351","0.009","90","","5579.6","0.9","293","","293","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C32 H108 I25 N11 O Pb7 -","- C31 H106 I25 N11 O0.38 Pb7 -","- C62 H212 I50 N22 O0.76 Pb14 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.3456","0.0353","","","0.0783","0.2167","","","","0.96","0.96","0.3","","","","has coordinates","220849","2020-10-21","18:00:00",""
"4127644","24.1035","0.0005","8.798","0.0002","38.1538","0.0008","90","","94.4517","0.0012","90","","8066.6","0.3","293","","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H80 I18 N8 Pb5 -","- C24 H79 I18 N8 Pb5 -","- C96 H316 I72 N32 Pb20 -","4","1","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.054","0.0415","","","0.1092","0.1145","","","","3.1","3.1","2.92","","","","has coordinates","220850","2020-10-21","18:00:00",""
"4127645","24.1035","0.0005","8.798","0.0002","38.1538","0.0008","90","","94.4517","0.0012","90","","8066.6","0.3","293","","293","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H82 I18 N8 O Pb5 -","- C24 H79 I18 N8 O0.5 Pb5 -","- C96 H316 I72 N32 O2 Pb20 -","4","1","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","220851","2020-10-21","18:00:00",""
"4127646","45.276","0.002","8.8555","0.0003","19.1635","0.001","90","","113.372","0.004","90","","7053","0.6","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H100 I32 N14 Pb9 -","- C38 H132 I32 N14 Pb9 -","- C76 H264 I64 N28 Pb18 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.194","0.1077","","","0.1973","0.2113","","","","4.18","4.18","3","","","","has coordinates","220852","2020-10-21","18:00:00",""
"4127647","8.85","0.004","8.9262","0.0008","25.07","0.001","90","","96.474","0.011","90","","1967.8","0.9","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H32 I10 N4 Pb3 -","- C8 H32 I10 N4 Pb3 -","- C16 H64 I20 N8 Pb6 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.1256","0.0863","","","0.1802","0.182","","","","4.04","4.04","3.23","","","","has coordinates","220853","2020-10-21","18:00:00",""
"4127648","8.7915","0.0001","15.3917","0.0003","22.3423","0.0004","90","","90","","90","","3023.27","0.09","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H30 I7 N3 Pb2 -","- C9 H30 I7 N3 Pb2 -","- C36 H120 I28 N12 Pb8 -","4","1","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.0401","0.0268","","","0.0546","0.0585","","","","1.19","1.19","1.13","","","","has coordinates","220854","2020-10-21","18:00:00",""
"4127649","10.6867","0.0004","6.8041","0.0003","28.1524","0.0011","90","","90.724","0.001","90","","2046.89","0.14","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H29 B Br N O3 -","- C20 H29 B Br N O3 -","- C80 H116 B4 Br4 N4 O12 -","4","2","","Shi, Yongjia; Gao, Qian; Xu, Senmiao","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Borylation of Cyclopropanes.","Journal of the American Chemical Society","2019","141","27","10599","10604","10.1021/jacs.9b04549","","","1.54178","CuKα","","0.0413","0.0412","","","0.104","0.1041","","","","","","1.091","","","","has coordinates","220855","2020-10-21","18:00:00",""
"4127650","8.9019","0.0017","17.903","0.003","18.664","0.003","90","","90","","90","","2974.5","0.9","150","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 B N3 O Si -","- C34 H34 B N3 O Si -","- C136 H136 B4 N12 O4 Si4 -","4","1","","Shi, Yongjia; Gao, Qian; Xu, Senmiao","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Borylation of Cyclopropanes.","Journal of the American Chemical Society","2019","141","27","10599","10604","10.1021/jacs.9b04549","","","0.71073","MoKα","","0.0945","0.0568","","","0.1136","0.1276","","","","","","1.033","","","","has coordinates","220856","2020-10-21","18:00:00",""
"4127651","10.9883","0.0008","12.4073","0.0009","12.6777","0.001","108.158","0.002","99.978","0.003","105.441","0.003","1519.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1","","- C34 H33 F6 Mo N O2 -","- C34 H33 F6 Mo N O2 -","- C68 H66 F12 Mo2 N2 O4 -","2","1","","Ferreira, Marco A. B.; De Jesus Silva, Jordan; Grosslight, Samantha; Fedorov, Alexey; Sigman, Matthew S.; Copéret, Christophe","Noncovalent Interactions Drive the Efficiency of Molybdenum Imido Alkylidene Catalysts for Olefin Metathesis.","Journal of the American Chemical Society","2019","141","27","10788","10800","10.1021/jacs.9b04367","","x-ray","0.71073","MoKα","","0.0804","0.0698","","","0.2034","0.2108","","","","","","1.104","","","","has coordinates","220857","2020-10-21","18:00:00",""
"4127652","22.059","0.005","8.4388","0.0018","29.485","0.007","90","","106.994","0.015","90","","5249","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","kea020hydride","kea020hydride","","- C23 H33 B F4 Ir N2 O5 -","- C23 H33 B F4 Ir N2 O5 -","- C184 H264 B8 F32 Ir8 N16 O40 -","8","1","","Wright, Ashley M.; Pahls, Dale R.; Gary, J. Brannon; Warner, Theresa; Williams, Jacob Z.; M Knapp, Spring Melody; Allen, Kate E.; Landis, Clark R.; Cundari, Thomas R.; Goldberg, Karen I.","Experimental and Computational Investigation of the Aerobic Oxidation of a Late Transition Metal-Hydride.","Journal of the American Chemical Society","2019","141","27","10830","10843","10.1021/jacs.9b04706","","","0.71073","MoKα","","0.1082","0.0522","","","0.0807","0.0948","","","","","","1.025","","","","has coordinates","220858","2020-10-21","18:00:00",""
"4127653","9.4238","0.0004","9.9348","0.0004","11.8329","0.0005","94.067","0.003","97.043","0.003","98.806","0.003","1081.97","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 Cl3 S4 Sn W3 -","- C15 H15 Cl3 S4 Sn W3 -","- C30 H30 Cl6 S8 Sn2 W6 -","2","1","","Dornsiepen, Eike; Pieck, Fabian; Tonner, Ralf; Dehnen, Stefanie","[{(PhSn)<sub>3</sub>SnS<sub>6</sub>}{(MCp)<sub>3</sub>S<sub>4</sub>}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers.","Journal of the American Chemical Society","2019","141","41","16494","16500","10.1021/jacs.9b09209","","","1.54178","CuKα","","0.0644","0.0425","","","0.0979","0.102","","","","","","0.833","","","","has coordinates","220859","2020-10-21","18:00:00",""
"4127654","12.7792","0.0001","12.7792","0.0001","32.6497","0.0004","90","","90","","120","","4617.61","0.08","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C33 H30 Cl0 S10 Sn4 W3 -","- C33 H30 S10 Sn4 W3 -","- C132 H120 S40 Sn16 W12 -","4","0.333333","","Dornsiepen, Eike; Pieck, Fabian; Tonner, Ralf; Dehnen, Stefanie","[{(PhSn)<sub>3</sub>SnS<sub>6</sub>}{(MCp)<sub>3</sub>S<sub>4</sub>}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers.","Journal of the American Chemical Society","2019","141","41","16494","16500","10.1021/jacs.9b09209","","","1.54178","CuKα","","0.0604","0.0592","","","0.1578","0.1591","","","","","","1.066","","","","has coordinates","220860","2020-10-21","18:00:00",""
"4127655","12.9068","0.0001","12.9068","0.0001","32.3654","0.0004","90","","90","","120","","4669.27","0.08","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C33 H30 Cl Mo3 S9 Sn4 -","- C33 H30 Mo3 S10 Sn4 -","- C132 H120 Mo12 S40 Sn16 -","4","0.333333","","Dornsiepen, Eike; Pieck, Fabian; Tonner, Ralf; Dehnen, Stefanie","[{(PhSn)<sub>3</sub>SnS<sub>6</sub>}{(MCp)<sub>3</sub>S<sub>4</sub>}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers.","Journal of the American Chemical Society","2019","141","41","16494","16500","10.1021/jacs.9b09209","","","1.54178","CuKα","","0.0479","0.04","","","0.1059","0.1103","","","","","","1.005","","","","has coordinates","220861","2020-10-21","18:00:00",""
"4127656","7.8009","0.0007","41.745","0.003","14.4534","0.0012","90","","91.338","0.006","90","","4705.4","0.7","170","2","170.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 F6 O6 Ru S2 -","- C43 H36 F6 O6 Ru S2 -","- C172 H144 F24 O24 Ru4 S8 -","4","1","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.1684","0.1218","","","0.261","0.2863","","","","","","0.91","","","","has coordinates","220862","2020-10-21","18:00:00",""
"4127657","16.4023","0.0004","22.4936","0.0006","24.455","0.0006","90","","90","","90","","9022.6","0.4","170","2","170.01","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C71 H72 F18 O18 Ru3 S6 -","- C71 H72 F18 O18 Ru3 S6 -","- C284 H288 F72 O72 Ru12 S24 -","4","0.5","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.0729","0.0662","","","0.1924","0.1994","","","","","","1.032","","","","has coordinates,has disorder","220862","2020-10-21","18:00:00",""
"4127658","15.4626","0.0003","22.4905","0.0004","24.0086","0.0004","90","","90","","90","","8349.3","0.3","170","2","170.01","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C69 H72 B2 F20 O12 Ru3 S4 -","- C69 H72 B2 F20 O12 Ru3 S4 -","- C276 H288 B8 F80 O48 Ru12 S16 -","4","0.5","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.0823","0.0733","","","0.2135","0.2223","","","","","","1.047","","","","has coordinates,has disorder","220862","2020-10-21","18:00:00",""
"4127659","16.3814","0.0004","22.5055","0.0005","23.9817","0.0006","90","","90","","90","","8841.4","0.4","170","2","169.99","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C66 H69 F6 O22 Re4 Ru3 S2 -","- C66 H69 F6 O22 Re4 Ru3 S2 -","- C264 H276 F24 O88 Re16 Ru12 S8 -","4","0.5","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.125","0.1162","","","0.2779","0.2843","","","","","","1.209","","","","has coordinates,has disorder","220862","2020-10-21","18:00:00",""
"4127660","18.278","0.0014","20.6817","0.0018","22.704","0.002","89.892","0.005","76","0.005","86.719","0.005","8313.3","1.2","160","2","160.62","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H72 N6 O18 Ru3 -","- C65 H72 N6 O18 Ru3 -","- C260 H288 N24 O72 Ru12 -","4","2","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.2437","0.1376","","","0.3663","0.4491","","","","","","1.112","","","","has coordinates","220862","2020-10-21","18:00:00",""
"4127661","16.2763","0.0006","22.5468","0.0007","24.1052","0.0008","90","","90","","90","","8846.1","0.5","170","2","169.99","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C70.5 H72 Cl0.5 F16.5 O18.5 Ru3 S5.5 -","- C70.5 H72 Cl0.5 F16.5 O18.5 Ru3 S5.5 -","- C282 H288 Cl2 F66 O74 Ru12 S22 -","4","0.5","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.0709","0.0648","","","0.1961","0.2037","","","","","","1.027","","","","has coordinates,has disorder","220862","2020-10-21","18:00:00",""
"4127662","31.6033","0.0008","15.2402","0.0002","32.1689","0.0007","90","","115.041","0.003","90","","14037.5","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H74 Cl3 F18 N6 O Sb3 -","- C69 H74 Cl3 F18 N6 O Sb3 -","- C552 H592 Cl24 F144 N48 O8 Sb24 -","8","2","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Uno, Hidemitsu","Synthesis and Isolation of Antiaromatic Expanded Azacoronene via Intramolecular Vilsmeier-Type Reaction.","Journal of the American Chemical Society","2019","141","41","16255","16259","10.1021/jacs.9b09260","","","0.71073","MoKα","","0.1054","0.0647","","","0.1329","0.1505","","","","","","1.024","","","","has coordinates,has disorder","220863","2020-10-21","18:00:00",""
"4127663","13.0245","0.0003","15.0943","0.0003","29.3272","0.0006","90","","90","","90","","5765.6","0.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H73 F6 N6 O Sb -","- C68 H73 F6 N6 O Sb -","- C272 H292 F24 N24 O4 Sb4 -","4","1","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Uno, Hidemitsu","Synthesis and Isolation of Antiaromatic Expanded Azacoronene via Intramolecular Vilsmeier-Type Reaction.","Journal of the American Chemical Society","2019","141","41","16255","16259","10.1021/jacs.9b09260","","","0.71073","MoKα","","0.0597","0.0476","","","0.0934","0.0981","","","","","","1.037","","","","has coordinates,has disorder","220864","2020-10-21","18:00:00",""
"4127664","8.6148","0.0002","14.8424","0.0004","10.8526","0.0003","90","","95.383","0.001","90","","1381.54","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","2","","Deng, Lin; Fu, Yue; Lee, Siu Yin; Wang, Chengpeng; Liu, Peng; Dong, Guangbin","Kinetic Resolution via Rh-Catalyzed C-C Activation of Cyclobutanones at Room Temperature.","Journal of the American Chemical Society","2019","141","41","16260","16265","10.1021/jacs.9b09344","","","1.54178","CuKα","","0.0339","0.0319","","","0.0786","0.0798","","","","","","1.047","","","","has coordinates","220865","2020-10-21","18:00:00",""
"4127665","10.5327","0.0001","12.8053","0.0001","22.0965","0.0002","90","","90","","90","","2980.25","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H48 O7 Si2 -","- C25 H48 O7 Si2 -","- C100 H192 O28 Si8 -","4","1","","Ji, Yang; Xin, Zhengyuan; He, Haibing; Gao, Shuanhu","Total Synthesis of Viridin and Viridiol.","Journal of the American Chemical Society","2019","141","41","16208","16212","10.1021/jacs.9b08577","","x-ray","1.54184","CuKα","","0.0293","0.0291","","","0.0736","0.0738","","","","","","1.04","","","","has coordinates","220866","2020-10-21","18:00:00",""
"4127666","8.963","0.005","12.759","0.007","17.763","0.01","91.17","0.007","95.778","0.006","99.491","0.01","1992","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O5 S -","- C20 H20 N2 O5 S -","- C80 H80 N8 O20 S4 -","4","2","","Zou, Hanxun; Hai, Yu; Ye, Hebo; You, Lei","Dynamic Covalent Switches and Communicating Networks for Tunable Multicolor Luminescent Systems and Vapor-Responsive Materials.","Journal of the American Chemical Society","2019","141","41","16344","16353","10.1021/jacs.9b07175","","","0.71073","MoKα","","0.1555","0.0897","","","0.2049","0.2396","","","","","","1.114","","","","has coordinates","220867","2020-10-21","18:00:00",""
"4127667","7.934","0.009","8.791","0.011","15.84","0.02","83.41","0.06","85.5","0.07","64.24","0.04","988","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N2 O6 S -","- C22 H18 N2 O6 S -","- C44 H36 N4 O12 S2 -","2","1","","Zou, Hanxun; Hai, Yu; Ye, Hebo; You, Lei","Dynamic Covalent Switches and Communicating Networks for Tunable Multicolor Luminescent Systems and Vapor-Responsive Materials.","Journal of the American Chemical Society","2019","141","41","16344","16353","10.1021/jacs.9b07175","","","0.71073","MoKα","","0.2163","0.1051","","","0.2036","0.2649","","","","","","1.031","","","","has coordinates","220867","2020-10-21","18:00:00",""
"4127668","7.4153","0.0005","9.9309","0.0006","12.3718","0.0007","92.686","0.005","96.211","0.005","90.945","0.005","904.51","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O5 S2 -","- C19 H18 N2 O5 S2 -","- C38 H36 N4 O10 S4 -","2","1","","Zou, Hanxun; Hai, Yu; Ye, Hebo; You, Lei","Dynamic Covalent Switches and Communicating Networks for Tunable Multicolor Luminescent Systems and Vapor-Responsive Materials.","Journal of the American Chemical Society","2019","141","41","16344","16353","10.1021/jacs.9b07175","","","1.54178","CuKα","","0.0463","0.0393","","","0.0929","0.0972","","","","","","1","","","","has coordinates,has disorder","220867","2020-10-21","18:00:00",""
"4127669","6.082","0.004","8.299","0.007","20.852","0.015","90","","97.49","0.02","90","","1043.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H20 N4 O5 -","- C25 H20 N4 O5 -","- C50 H40 N8 O10 -","2","1","","Thanzeel, F. Yushra; Sripada, Archita; Wolf, Christian","Quantitative Chiroptical Sensing of Free Amino Acids, Biothiols, Amines, and Amino Alcohols with an Aryl Fluoride Probe.","Journal of the American Chemical Society","2019","141","41","16382","16387","10.1021/jacs.9b07588","","x-ray","0.71073","MoKα","","0.04","0.0346","","","0.0824","0.0842","","","","","","1.046","","","","has coordinates","220868","2020-10-21","18:00:00",""
"4127670","6.2521","0.0015","7.8349","0.0019","24.818","0.006","90","","93.763","0.003","90","","1213.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F N3 O5 -","- C13 H8 F N3 O5 -","- C52 H32 F4 N12 O20 -","4","1","","Thanzeel, F. Yushra; Sripada, Archita; Wolf, Christian","Quantitative Chiroptical Sensing of Free Amino Acids, Biothiols, Amines, and Amino Alcohols with an Aryl Fluoride Probe.","Journal of the American Chemical Society","2019","141","41","16382","16387","10.1021/jacs.9b07588","","","0.71073","MoKα","","0.0332","0.032","","","0.0876","0.0888","","","","","","1.032","","","","has coordinates","220869","2020-10-21","18:00:00",""
"4127671","7.7036","0.0001","6.1633","0.0001","15.5653","0.0002","90","","90.67","0.001","90","","738.984","0.018","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,3aR,9bS)-9-Methoxy-1-phenyl-3a,4,5,9b-tetrahydronaphtho[2,1-b]furan-2(1H)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0531","0.0527","","","0.1368","0.1375","","","","","","1.109","","","","has coordinates","220870","2020-10-21","18:00:00",""
"4127672","36.2576","0.0004","14.34286","0.00013","34.8216","0.0004","90","","108.398","0.0011","90","","17183","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C143 H130 I12 N24 O10 Zn6 -","- C143 H130 I12 N24 O10 Zn6 -","- C572 H520 I48 N96 O40 Zn24 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","1.54184","CuKα","","0.075","0.0733","","","0.2075","0.2096","","","","","","1.083","","","","has coordinates,has disorder","220871","2020-10-21","18:00:00",""
"4127673","5.0322","0.0001","13.0715","0.0002","16.2633","0.0002","90","","90","","90","","1069.77","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R,3aS,9bR)-3-methyl-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0319","0.0309","","","0.0852","0.0861","","","","","","1.096","","","","has coordinates","220872","2020-10-21","18:00:00",""
"4127674","5.662","0.008","11.423","0.015","11.586","0.016","90","","101.932","0.019","90","","733.2","1.7","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Cl O2 -","- C18 H15 Cl O2 -","- C36 H30 Cl2 O4 -","2","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","0.71075","MoKα","","","0.0505","","","","0.1213","","","","","","1.01","","","","has coordinates","220873","2020-10-21","18:00:00",""
"4127675","36.27","0.0003","14.5028","0.0001","34.6393","0.0003","90","","109.143","0.001","90","","17213.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C104 H84 I12 N24 O4 Zn6 -","- C104 H84 I12 N24 O4 Zn6 -","- C416 H336 I48 N96 O16 Zn24 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","1.54184","CuKα","","0.0836","0.0798","","","0.2224","0.2317","","","","","","1.042","","","","has coordinates,has disorder","220874","2020-10-21","18:00:00",""
"4127676","7.7957","0.0001","13.9632","0.0002","9.8653","0.0002","90","","106.276","0.002","90","","1030.83","0.03","99.98","0.1","99.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3aR,9bS)-1-methyl-3a,4,5,9b-tetrahydronaphtho[2,1-b]furan-2(1H)-one","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","2","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0442","0.0431","","","0.114","0.1159","","","","","","1.025","","","","has coordinates","220875","2020-10-21","18:00:00",""
"4127677","6.74007","0.00004","24.03214","0.00017","8.74986","0.00006","90","","91.2367","0.0006","90","","1416.96","0.016","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,3aS,9bR)-8-chloro-3-phenyl-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one","","- C18 H15 Cl O2 -","- C18 H15 Cl O2 -","- C72 H60 Cl4 O8 -","4","2","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0272","0.0264","","","0.0694","0.0702","","","","","","1.036","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4127678","8.342","0.003","8.299","0.003","10.721","0.004","90","","101.619","0.004","90","","727","0.5","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C36 H30 Br2 O4 -","2","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","0.71075","MoKα","","0.0393","0.0386","","","0.0958","0.0963","","","","","","1","","","","has coordinates","220877","2020-10-21","18:00:00",""
"4127679","4.9886","0.0001","7.7361","0.0001","26.4469","0.0004","90","","90","","90","","1020.65","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aS,9bR)-8-chloro-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one","","- C12 H11 Cl O2 -","- C12 H11 Cl O2 -","- C48 H44 Cl4 O8 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0335","0.0322","","","0.102","0.1057","","","","","","0.94","","","","has coordinates","220878","2020-10-21","18:00:00",""
"4127680","5.0178","0.0015","12.447","0.004","16.893","0.005","90","","90","","90","","1055.1","0.6","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C48 H44 Br4 O8 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","0.71075","MoKα","","","0.0462","","","","0.1044","","","","","","1","","","","has coordinates","220879","2020-10-21","18:00:00",""
"4127681","9.834","0.0002","5.8505","0.0001","12.9552","0.0002","90","","102.401","0.002","90","","727.97","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3aS,9bR)-8-methoxy-1-phenyl-3a,4,5,9b-tetrahydronaphtho[2,1-b]furan-2(1H)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0409","0.0396","","","0.106","0.1082","","","","","","1.063","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4127682","9.4855","0.0013","13.9062","0.0019","24.919","0.003","90","","90","","90","","3287","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H37 N O4 -","- C43 H37 N O4 -","- C172 H148 N4 O16 -","4","1","","Wu, Mingyue; Han, Zhaobin; Li, Kaizhi; Wu, Ji'en; Ding, Kuiling; Lu, Yixin","Cyclohexyl-Fused, Spirobiindane-Derived, Phosphine-Catalyzed Synthesis of Tricyclic γ-Lactams and Kinetic Resolution of γ-Substituted Allenoates.","Journal of the American Chemical Society","2019","141","41","16362","16373","10.1021/jacs.9b07418","","","1.54178","CuKα","","0.0253","0.0252","","","0.0625","0.0626","","","","","","1.037","","","","has coordinates","220881","2020-10-21","18:00:00",""
"4127683","14.3292","0.0005","11.8411","0.0005","16.1689","0.0006","90","","91.429","0.003","90","","2742.58","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 N2 O2 P2 Ru -","- C25 H44 N2 O2 P2 Ru -","- C100 H176 N8 O8 P8 Ru4 -","4","1","","Bruffaerts, Jeffrey; von Wolff, Niklas; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Formamides as Isocyanate Surrogates: A Mechanistically Driven Approach to the Development of Atom-Efficient, Selective Catalytic Syntheses of Ureas, Carbamates, and Heterocycles.","Journal of the American Chemical Society","2019","141","41","16486","16493","10.1021/jacs.9b08942","","","0.71073","MoKα","","0.0331","0.0244","","","0.0528","0.055","","","","","","1.035","","","","has coordinates","220882","2020-10-21","18:00:00",""
"4127684","12.8308","0.0004","15.2238","0.0005","16.2881","0.0006","90","","99.554","0.003","90","","3137.48","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 N3 O3 P2 Ru -","- C28 H51 N3 O3 P2 Ru -","- C112 H204 N12 O12 P8 Ru4 -","4","1","","Bruffaerts, Jeffrey; von Wolff, Niklas; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Formamides as Isocyanate Surrogates: A Mechanistically Driven Approach to the Development of Atom-Efficient, Selective Catalytic Syntheses of Ureas, Carbamates, and Heterocycles.","Journal of the American Chemical Society","2019","141","41","16486","16493","10.1021/jacs.9b08942","","","0.71073","MoKα","","0.0337","0.0269","","","0.0657","0.0684","","","","","","1.028","","","","has coordinates","220882","2020-10-21","18:00:00",""
"4127685","19.5466","0.0009","10.6601","0.0003","16.5688","0.0007","90","","112.086","0.005","90","","3199.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 N2 O2 P2 Ru -","- C32 H50 N2 O2 P2 Ru -","- C128 H200 N8 O8 P8 Ru4 -","4","1","","Bruffaerts, Jeffrey; von Wolff, Niklas; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Formamides as Isocyanate Surrogates: A Mechanistically Driven Approach to the Development of Atom-Efficient, Selective Catalytic Syntheses of Ureas, Carbamates, and Heterocycles.","Journal of the American Chemical Society","2019","141","41","16486","16493","10.1021/jacs.9b08942","","","0.71073","MoKα","","0.0272","0.0218","","","0.0508","0.0524","","","","","","1.032","","","","has coordinates","220882","2020-10-21","18:00:00",""
"4127686","15.4802","0.0005","20.4445","0.0005","14.8005","0.0004","90","","102.362","0.001","90","","4575.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H49 Cl4 F6 Sb -","- C50 H49 Cl4 F6 Sb -","- C200 H196 Cl16 F24 Sb4 -","4","1","","Li, Zhengtao; Gopalakrishna, Tullimilli Y.; Han, Yi; Gu, Yanwei; Yuan, Liu; Zeng, Wangdong; Casanova, David; Wu, Jishan","[6]Cyclo-<i>para</i>-phenylmethine: An Analog of Benzene Showing Global Aromaticity and Open-Shell Diradical Character.","Journal of the American Chemical Society","2019","141","41","16266","16270","10.1021/jacs.9b09780","","","0.71073","MoKα","","0.0835","0.075","","","0.2247","0.2346","","","","","","1.056","","","","has coordinates","220883","2020-10-21","18:00:00",""
"4127687","19.435","0.002","26.395","0.003","10.1346","0.0011","90","","90.369","0.005","90","","5198.8","1","100","2","100","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- C48 H45 -","- C48 H45 -","- C192 H180 -","4","0.5","","Li, Zhengtao; Gopalakrishna, Tullimilli Y.; Han, Yi; Gu, Yanwei; Yuan, Liu; Zeng, Wangdong; Casanova, David; Wu, Jishan","[6]Cyclo-<i>para</i>-phenylmethine: An Analog of Benzene Showing Global Aromaticity and Open-Shell Diradical Character.","Journal of the American Chemical Society","2019","141","41","16266","16270","10.1021/jacs.9b09780","","","1.54178","CuKα","","0.1036","0.0941","","","0.269","0.2811","","","","","","1.056","","","","has coordinates","220884","2020-10-21","18:00:00",""
"4127688","13.3231","0.0007","9.9116","0.0006","14.2356","0.0007","90","","104.338","0.003","90","","1821.3","0.17","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N4 O2 -","- C19 H20 N4 O2 -","- C76 H80 N16 O8 -","4","1","","Wu, Zhi-Chen; Boger, Dale L.","Synthesis, Characterization, and Cycloaddition Reactivity of a Monocyclic Aromatic 1,2,3,5-Tetrazine.","Journal of the American Chemical Society","2019","141","41","16388","16397","10.1021/jacs.9b07744","","x-ray","0.71073","MoKα","","0.0793","0.0474","","","0.0984","0.1116","","","","","","1.013","","","","has coordinates","220885","2020-10-21","18:00:00",""
"4127689","13.2215","0.0004","31.0295","0.0007","14.57","0.0004","90","","115.207","0.001","90","","5408.2","0.3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H33 Cl3 N16 O16 -","- C53 H33 Cl3 N16 O16 -","- C212 H132 Cl12 N64 O64 -","4","1","","Wu, Zhi-Chen; Boger, Dale L.","Synthesis, Characterization, and Cycloaddition Reactivity of a Monocyclic Aromatic 1,2,3,5-Tetrazine.","Journal of the American Chemical Society","2019","141","41","16388","16397","10.1021/jacs.9b07744","","x-ray","0.71073","MoKα","","0.07","0.0496","","","0.1173","0.1285","","","","","","1.02","","","","has coordinates,has disorder","220886","2020-10-21","18:00:00",""
"4127690","3.8362","0.0005","13.7755","0.0018","20.821","0.002","90","","90","","90","","1100.3","0.2","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","1","","Wu, Zhi-Chen; Boger, Dale L.","Synthesis, Characterization, and Cycloaddition Reactivity of a Monocyclic Aromatic 1,2,3,5-Tetrazine.","Journal of the American Chemical Society","2019","141","41","16388","16397","10.1021/jacs.9b07744","","x-ray","0.71073","MoKα","","0.0825","0.0475","","","0.0842","0.0949","","","","","","1.002","","","","has coordinates","220887","2020-10-21","18:00:00",""
"4127691","10.8681","0.0011","14.2652","0.0014","18.7149","0.0019","90","","105.731","0.001","90","","2792.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 Cl4 N6 O8 Rh2 -","- C54 H74 Cl4 N6 O8 Rh2 -","- C108 H148 Cl8 N12 O16 Rh4 -","2","0.5","","Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.","Journal of the American Chemical Society","2019","141","41","16232","16236","10.1021/jacs.9b09064","","x-ray","0.24796","synchrotron","","0.0327","0.0257","","","0.0619","0.0659","","","","","","1.025","","","","has coordinates","220888","2020-10-21","18:00:00",""
"4127692","11.0301","0.0019","14.251","0.002","18.763","0.003","90","","107.025","0.002","90","","2820.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 Cl4 N6 O8 Rh2 -","- C54 H74 Cl4 N6 O8 Rh2 -","- C108 H148 Cl8 N12 O16 Rh4 -","2","0.5","","Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.","Journal of the American Chemical Society","2019","141","41","16232","16236","10.1021/jacs.9b09064","","x-ray","0.24796","synchrotron","","0.0398","0.0308","","","0.0746","0.0792","","","","","","1.05","","","","has coordinates,has disorder","220888","2020-10-21","18:00:00",""
"4127693","19.6255","0.001","21.4629","0.001","22.5422","0.0011","90","","109.875","0.002","90","","8929.7","0.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C172 H230 Cl12 N4 O36 Rh8 -","- C172 H230 Cl12 N4 O36 Rh8 -","- C344 H460 Cl24 N8 O72 Rh16 -","2","0.5","","Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.","Journal of the American Chemical Society","2019","141","41","16232","16236","10.1021/jacs.9b09064","","x-ray","0.71073","MoKα","","0.0729","0.0541","","","0.096","0.1024","","","","","","1.154","","","","has coordinates","220888","2020-10-21","18:00:00",""
"4127694","11.721","0.0009","14.0235","0.001","40.538","0.003","90","","90","","90","","6663.2","0.9","110","2","110","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C71 H72 Cl2 N2 O8 Rh2 -","- C71 H72 Cl2 N2 O8 Rh2 -","- C284 H288 Cl8 N8 O32 Rh8 -","4","0.5","","Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.","Journal of the American Chemical Society","2019","141","41","16232","16236","10.1021/jacs.9b09064","","x-ray","0.71073","MoKα","","0.0384","0.0366","","","0.082","0.0828","","","","","","1.245","","","","has coordinates","220888","2020-10-21","18:00:00",""
"4127695","11.0301","0.0019","14.251","0.002","18.763","0.003","90","","107.025","0.002","90","","2820.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 Cl4 N6 O8 Rh2 -","- C54 H74 Cl4 N6 O8 Rh2 -","- C108 H148 Cl8 N12 O16 Rh4 -","2","0.5","","Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.","Journal of the American Chemical Society","2019","141","41","16232","16236","10.1021/jacs.9b09064","","x-ray","0.33062","synchrotron","","0.0676","0.0481","","","0.123","0.135","","","","","","1.023","","","","has coordinates,has disorder","220888","2020-10-21","18:00:00",""
"4127696","23.1927","0.0009","6.0161","0.0002","27.2923","0.0009","90","","100.314","0.003","90","","3746.6","0.2","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H27 F3 O -","- C22 H27 F3 O -","- C176 H216 F24 O8 -","8","1","","Huang, David; Olivieri, Diego; Sun, Yang; Zhang, Pengpeng; Newhouse, Timothy R.","Nickel-Catalyzed Difunctionalization of Unactivated Alkenes Initiated by Unstabilized Enolates.","Journal of the American Chemical Society","2019","141","41","16249","16254","10.1021/jacs.9b09245","","","1.54184","CuKα","","0.0594","0.044","","","0.1045","0.1136","","","","","","1.046","","","","has coordinates,has disorder","220889","2020-10-21","18:00:00",""
"4127697","8.2266","0.0002","9.0595","0.0002","24.4559","0.0006","90","","90","","90","","1822.67","0.07","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 F3 O -","- C21 H25 F3 O -","- C84 H100 F12 O4 -","4","1","","Huang, David; Olivieri, Diego; Sun, Yang; Zhang, Pengpeng; Newhouse, Timothy R.","Nickel-Catalyzed Difunctionalization of Unactivated Alkenes Initiated by Unstabilized Enolates.","Journal of the American Chemical Society","2019","141","41","16249","16254","10.1021/jacs.9b09245","","","1.54184","CuKα","","0.0458","0.0422","","","0.1086","0.1117","","","","","","1.051","","","","has coordinates","220890","2020-10-21","18:00:00",""
"4127698","14.0153","0.0003","11.1661","0.0003","19.0586","0.0005","90","","90","","90","","2982.6","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H46 B2 N2 O4 -","- C30 H46 B2 N2 O4 -","- C120 H184 B8 N8 O16 -","4","0.5","","Oeschger, Raphael J.; Larsen, Matthew A.; Bismuto, Alessandro; Hartwig, John F.","Origin of the Difference in Reactivity between Ir Catalysts for the Borylation of C-H Bonds.","Journal of the American Chemical Society","2019","141","41","16479","16485","10.1021/jacs.9b08920","","","1.54184","CuKα","","0.0645","0.056","","","0.1595","0.1665","","","","","","1.056","","","","has coordinates","220891","2020-10-21","18:00:00",""
"4127699","7.9812","0.0016","12.549","0.003","12.711","0.003","63.35","0.03","73.51","0.03","83.41","0.03","1090.9","0.5","90","2","90.15","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C40 H48 N8 O20 -","4","2","","Lengyel, Jeff; Wang, Xiaoping; Choi, Eun Sang; Besara, Tiglet; Schönemann, Rico; Ramakrishna, Sanath Kumar; Holleman, Jade; Blockmon, Avery L.; Hughey, Kendall D.; Liu, Tianhan; Hudis, Jacob; Beery, Drake; Balicas, Luis; McGill, Stephen A.; Hanson, Kenneth; Musfeldt, Janice L.; Siegrist, Theo; Dalal, Naresh S.; Shatruk, Michael","Antiferroelectric Phase Transition in a Proton-Transfer Salt of Squaric Acid and 2,3-Dimethylpyrazine.","Journal of the American Chemical Society","2019","141","41","16279","16287","10.1021/jacs.9b04473","","","0.6","neutrons","","0.0844","0.0842","","","0.2003","0.2005","","","","","","1.339","","","","has coordinates","220892","2020-10-21","18:00:00",""
"4127700","6.721","0.004","7.967","0.004","10.75","0.006","76.398","0.005","89.55","0.006","80.515","0.006","551.5","0.5","230","","230","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C20 H24 N4 O10 -","2","1","","Lengyel, Jeff; Wang, Xiaoping; Choi, Eun Sang; Besara, Tiglet; Schönemann, Rico; Ramakrishna, Sanath Kumar; Holleman, Jade; Blockmon, Avery L.; Hughey, Kendall D.; Liu, Tianhan; Hudis, Jacob; Beery, Drake; Balicas, Luis; McGill, Stephen A.; Hanson, Kenneth; Musfeldt, Janice L.; Siegrist, Theo; Dalal, Naresh S.; Shatruk, Michael","Antiferroelectric Phase Transition in a Proton-Transfer Salt of Squaric Acid and 2,3-Dimethylpyrazine.","Journal of the American Chemical Society","2019","141","41","16279","16287","10.1021/jacs.9b04473","","","0.6","neutrons","","0.0788","0.078","","","0.1789","0.1793","","","","","","1.169","","","","has coordinates,has disorder","220894","2020-10-21","18:00:00",""
"4127701","8.9726","0.0019","17.601","0.003","12.768","0.003","90","","93.916","0.019","90","","2011.7","0.7","193","2","193","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","6,14-bis(2,6-dimethylphenyl)dibenzo[hi,st]ovalene","","- C54 H32 -","- C54 H32 -","- C108 H64 -","2","0.5","","Chen, Qiang; Thoms, Stefan; Stöttinger, Sven; Schollmeyer, Dieter; Müllen, Klaus; Narita, Akimitsu; Basché, Thomas","Dibenzo[<i>hi</i>,<i>st</i>]ovalene as Highly Luminescent Nanographene: Efficient Synthesis via Photochemical Cyclodehydroiodination, Optoelectronic Properties, and Single-Molecule Spectroscopy.","Journal of the American Chemical Society","2019","141","41","16439","16449","10.1021/jacs.9b08320","","","0.71073","MoKα","","0.4114","0.254","","","0.5643","0.6393","","","","","","1.597","","","","has coordinates","220895","2020-10-21","18:00:00",""
"4127702","24.2958","0.0005","17.0876","0.0002","24.361","0.0003","90","","90","","90","","10113.6","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5,14-diformylbenzo[a]dinaphtho[2,1,8-cde:1',2',3',4'-ghi]perylene","","- C40 H21 N O2 -","- C40 H21 N O2 -","- C640 H336 N16 O32 -","16","2","","Chen, Qiang; Thoms, Stefan; Stöttinger, Sven; Schollmeyer, Dieter; Müllen, Klaus; Narita, Akimitsu; Basché, Thomas","Dibenzo[<i>hi</i>,<i>st</i>]ovalene as Highly Luminescent Nanographene: Efficient Synthesis via Photochemical Cyclodehydroiodination, Optoelectronic Properties, and Single-Molecule Spectroscopy.","Journal of the American Chemical Society","2019","141","41","16439","16449","10.1021/jacs.9b08320","","","0.71073","MoKα","","0.1134","0.0878","","","0.1855","0.1999","","","","","","1.153","","","","has coordinates","220896","2020-10-21","18:00:00",""
"4127703","12.3464","0.0006","23.8926","0.0011","10.3661","0.0005","90","","109.61","0.003","90","","2880.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N4 O6 S2 -","- C23 H30 N4 O6 S2 -","- C92 H120 N16 O24 S8 -","4","1","","Huang, Hanchu; Wang, Wenqi; Zhou, Zefeng; Sun, Bohan; An, Meirui; Haeffner, Fredrik; Niu, Jia","Radical Ring-Closing/Ring-Opening Cascade Polymerization.","Journal of the American Chemical Society","2019","141","32","12493","12497","10.1021/jacs.9b05568","","","1.54178","CuKα","","0.0672","0.0565","","","0.1592","0.1709","","","","","","1.032","","","","has coordinates,has disorder","220897","2020-10-21","18:00:00",""
"4127704","11.7701","0.0009","17.5799","0.0014","25.634","0.002","90","","90","","90","","5304.1","0.7","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C42.15 H14.67 N O0.34 S2.31 -","- C42.154 H14.673 N O0.3365 S2.308 -","- C337.232 H117.384 N8 O2.692 S18.464 -","8","1","","Hashikawa, Yoshifumi; Murata, Yasujiro","H<sub>2</sub>O/Olefinic-π Interaction inside a Carbon Nanocage.","Journal of the American Chemical Society","2019","141","32","12928","12938","10.1021/jacs.9b06759","","","0.71073","MoKα","","0.0762","0.0631","","","0.1777","0.1936","","","","","","1.084","","","","has coordinates,has disorder","220898","2020-10-21","18:00:00",""
"4127705","11.0844","0.0004","7.7458","0.0004","20.304","0.001","90","","91.1723","0.0014","90","","1742.89","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 B10 N O2 -","- C12 H21 B10 N O2 -","- C48 H84 B40 N4 O8 -","4","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone.","Journal of the American Chemical Society","2019","141","32","12855","12862","10.1021/jacs.9b06204","","","0.71073","MoKα","","0.0721","0.0532","","","0.1384","0.1497","","","","","","1.105","","","","has coordinates","220899","2020-10-21","18:00:00",""
"4127706","7.1661","0.0003","15.9648","0.0007","15.0918","0.0007","90","","98.9674","0.0013","90","","1705.48","0.13","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 B10 N O2 -","- C11 H21 B10 N O2 -","- C44 H84 B40 N4 O8 -","4","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone.","Journal of the American Chemical Society","2019","141","32","12855","12862","10.1021/jacs.9b06204","","","0.71073","MoKα","","0.0589","0.0512","","","0.1484","0.1551","","","","","","1.046","","","","has coordinates","220900","2020-10-21","18:00:00",""
"4127707","33.7489","0.0019","13.4301","0.0007","24.9712","0.0015","90","","116.232","0.0016","90","","10152.6","1","302","2","302","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 B10 F N O -","- C10 H16 B10 F N O -","- C240 H384 B240 F24 N24 O24 -","24","3","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone.","Journal of the American Chemical Society","2019","141","32","12855","12862","10.1021/jacs.9b06204","","","0.71073","MoKα","","0.1134","0.0631","","","0.1549","0.1855","","","","","","1.023","","","","has coordinates","220901","2020-10-21","18:00:00",""
"4127708","8.4669","0.0006","13.4901","0.001","13.6718","0.001","66.8603","0.0019","75.881","0.0019","87.086","0.0019","1390.8","0.18","289","2","289","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H64 B20 Ir2 N2 O2 -","- C40 H64 B20 Ir2 N2 O2 -","- C40 H64 B20 Ir2 N2 O2 -","1","0.5","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone.","Journal of the American Chemical Society","2019","141","32","12855","12862","10.1021/jacs.9b06204","","","0.71073","MoKα","","0.0528","0.0507","","","0.1245","0.1262","","","","","","1.106","","","","has coordinates","220902","2020-10-21","18:00:00",""
"4127709","10.4959","0.0004","13.6769","0.0006","14.7303","0.0006","113.848","0.002","92.532","0.002","111.529","0.002","1752.41","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10.5 H17.5 B10 Cl1.5 N O -","- C10.5 H17.5 B10 Cl1.5 N O -","- C42 H70 B40 Cl6 N4 O4 -","4","2","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone.","Journal of the American Chemical Society","2019","141","32","12855","12862","10.1021/jacs.9b06204","","","0.71073","MoKα","","0.1473","0.1008","","","0.3072","0.3526","","","","","","1.269","","","","has coordinates","220903","2020-10-21","18:00:00",""
"4127710","9.9503","0.0008","10.9577","0.0009","12.3212","0.001","70.675","0.002","89.261","0.003","85.871","0.003","1264.34","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","2","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0495","0.0405","","","0.1021","0.1075","","","","","","1.022","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127711","15.0526","0.001","6.9062","0.0005","17.3582","0.0012","90","","103.634","0.002","90","","1753.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O3 -","- C24 H18 N2 O3 -","- C96 H72 N8 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0495","0.0403","","","0.1021","0.1076","","","","","","1.028","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127712","6.9174","0.0002","10.5842","0.0003","13.1785","0.0004","76.726","0.001","82.52","0.002","83.007","0.001","926.87","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F2 N2 O3 -","- C24 H16 F2 N2 O3 -","- C48 H32 F4 N4 O6 -","2","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0559","0.045","","","0.0965","0.1026","","","","","","1.084","","","","has coordinates,has disorder","220904","2020-10-21","18:00:00",""
"4127713","6.9299","0.0003","10.8187","0.0004","13.1005","0.0005","76.659","0.001","85.526","0.001","82.454","0.001","946.24","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F4 N2 O3 -","- C24 H14 F4 N2 O3 -","- C48 H28 F8 N4 O6 -","2","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0588","0.039","","","0.0842","0.0926","","","","","","1.022","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127714","7.7824","0.0004","8.798","0.0005","15.0204","0.0008","90.548","0.002","97.632","0.002","98.051","0.002","1008.87","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 F8 N2 O3 -","- C24 H10 F8 N2 O3 -","- C48 H20 F16 N4 O6 -","2","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0461","0.0382","","","0.1024","0.1071","","","","","","1.042","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127715","23.2194","0.001","7.852","0.0003","7.3545","0.0003","90","","90","","90","","1340.86","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0369","0.0346","","","0.0898","0.0913","","","","","","1.051","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127716","11.5459","0.0007","14.1178","0.001","11.8327","0.0008","90","","98.294","0.004","90","","1908.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N O3 -","- C26 H19 N O3 -","- C104 H76 N4 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0529","0.0382","","","0.0882","0.0947","","","","","","1.025","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127717","8.3012","0.0003","13.3693","0.0006","17.8245","0.0007","90","","90","","90","","1978.18","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H15 F4 N O3 -","- C26 H15 F4 N O3 -","- C104 H60 F16 N4 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0434","0.0354","","","0.0787","0.0821","","","","","","1.047","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127718","17.232","0.002","8.4715","0.0011","14.2645","0.0017","90","","93.467","0.004","90","","2078.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H11 F8 N O3 -","- C26 H11 F8 N O3 -","- C104 H44 F32 N4 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0571","0.0424","","","0.096","0.1029","","","","","","1.041","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127719","6.9786","0.0006","13.7874","0.0011","14.798","0.0012","104.496","0.004","94.554","0.005","97.803","0.005","1356.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34.31 H25.65 Cl0.74 N2.97 O3 -","- C34.31 H25.648 Cl0.732 N2.972 O3 -","- C68.62 H51.296 Cl1.464 N5.944 O6 -","2","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0676","0.0479","","","0.1092","0.1166","","","","","","1.053","","","","has coordinates,has disorder","220904","2020-10-21","18:00:00",""
"4127720","35.4911","0.0014","35.4911","0.0014","9.9547","0.0004","90","","90","","120","","10859.2","0.7","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C34 H23 N O3.12 -","- C34 H23 N O3.11633 -","- C612 H414 N18 O56.094 -","18","3","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0556","0.0416","","","0.0899","0.0964","","","","","","1.033","","","","has coordinates,has disorder","220904","2020-10-21","18:00:00",""
"4127721","9.1223","0.0013","8.7787","0.0012","19.83","0.004","90","","90.103","0.013","90","","1588","0.4","293","","293","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C24 H40 I16 N8 Pb4 -","4","2","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.1616","0.1219","","","0.132","0.1346","","","","7.17","7.17","6.19","","","","has coordinates","220905","2020-10-21","18:00:00",""
"4127722","16.24","0.0007","9.0384","0.0005","8.8082","0.0016","90","","97.619","0.007","90","","1281.5","0.3","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H16 I7 N3 Pb2 -","- C7 H16 I7 N3 Pb2 -","- C14 H32 I14 N6 Pb4 -","2","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.1281","0.0944","","","0.164","0.1676","","","","3.78","3.78","3.17","","","","has coordinates","220905","2020-10-21","18:00:00",""
"4127723","45.091","0.005","9.0494","0.0015","8.8654","0.001","90","","95.92","0.009","90","","3598.2","0.8","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H22 I10 N4 Pb3 -","- C8 H22 I10 N4 Pb3 -","- C32 H88 I40 N16 Pb12 -","4","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.1867","0.1285","","","0.1663","0.1674","","","","7.96","7.96","5.92","","","","has coordinates","220905","2020-10-21","18:00:00",""
"4127724","28.8181","0.001","9.0332","0.0014","8.882","0.003","90","","94.138","0.009","90","","2306.1","0.9","298","","298","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C9 H28 I13 N5 Pb4 -","- C9 H28 I13 N5 Pb4 -","- C18 H56 I26 N10 Pb8 -","2","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71013","MoKα","","0.2114","0.1234","","","0.1619","0.1632","","","","7.07","7.07","4.8","","","","has coordinates","220905","2020-10-21","18:00:00",""
"4127725","12.3348","0.0012","10.5038","0.0007","12.3423","0.0012","90","","90.002","0.008","90","","1599.1","0.2","293","","293","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C24 H40 I16 N8 Pb4 -","4","2","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.0705","0.0616","","","0.0691","0.0694","","","","4.06","4.06","3.85","","","","has coordinates","220906","2020-10-21","18:00:00",""
"4127726","34.678","0.004","8.7791","0.001","8.7644","0.0009","90","","104.536","0.008","90","","2582.8","0.5","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H16 I7 N3 Pb2 -","- C7 H16 I7 N3 Pb2 -","- C28 H64 I28 N12 Pb8 -","4","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.0591","0.0393","","","0.0709","0.0734","","","","1.96","1.96","1.75","","","","has coordinates","220906","2020-10-21","18:00:00",""
"4127727","23.175","0.003","8.8255","0.0007","8.8238","0.0009","90","","90.0045","","90","","1804.7","0.3","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H22 I10 N4 Pb3 -","- C8 H22 I10 N4 Pb3 -","- C16 H44 I20 N8 Pb6 -","2","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.0764","0.0522","","","0.0757","0.0765","","","","4.17","4.17","3.46","","","","has coordinates","220906","2020-10-21","18:00:00",""
"4127728","59.166","0.009","8.8404","0.001","8.8405","0.0013","90","","90","0.012","90","","4624","1.1","293","","293","","","","","","","","","5","I 1 c 1","I -2yc","9","","","","- C9 H28 I13 N5 Pb4 -","- C9 H28 I13 N5 Pb4 -","- C36 H112 I52 N20 Pb16 -","4","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.0872","0.0478","","","0.1053","0.1424","","","","2.62","2.62","2.73","","","","has coordinates","220906","2020-10-21","18:00:00",""
"4127729","17.2882","0.0014","17.2882","0.0014","95.075","0.008","90","","90","","120","","24609","3","100","2","99.98","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C243 H241 N23 O30 S7 -","- C243 H241 N23 O30 S7 -","- C729 H723 N69 O90 S21 -","3","0.25","","Shi, Yan; Yin, Guangqiang; Yan, Zhiping; Sang, Peng; Wang, Minghui; Brzozowski, Robert; Eswara, Prahathees; Wojtas, Lukasz; Zheng, Youxuan; Li, Xiaopeng; Cai, Jianfeng","Helical Sulfono-γ-AApeptides with Aggregation-Induced Emission and Circularly Polarized Luminescence.","Journal of the American Chemical Society","2019","141","32","12697","12706","10.1021/jacs.9b05329","","","1.54178","CuKα","","0.0875","0.0697","","","0.1992","0.2171","","","","","","1.048","","","","has coordinates,has disorder","220907","2020-10-21","18:00:00",""
"4127730","8.5171","0.0012","15.355","0.002","15.872","0.002","101.064","0.002","99.352","0.002","97.402","0.002","1982.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H78 N8 O7 Rh2 -","- C93 H78 N8 O7 Rh2 -","- C93 H78 N8 O7 Rh2 -","1","0.5","","Wei, Fangfang; Lai, Shiu-Lun; Zhao, Shunan; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah; Wong, Keith Man-Chung","Ligand Mediated Luminescence Enhancement in Cyclometalated Rhodium(III) Complexes and Their Applications in Efficient Organic Light-Emitting Devices.","Journal of the American Chemical Society","2019","141","32","12863","12871","10.1021/jacs.9b06308","","","0.71073","MoKα","","0.0573","0.0465","","","0.1307","0.14","","","","","","1.062","","","","has coordinates","220908","2020-10-21","18:00:00",""
"4127731","11.3021","0.0012","11.433","0.0012","19.651","0.002","85.111","0.003","77.907","0.003","62.019","0.003","2192.4","0.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H39 Cl2 N4 O2 Rh -","- C56 H39 Cl2 N4 O2 Rh -","- C112 H78 Cl4 N8 O4 Rh2 -","2","1","","Wei, Fangfang; Lai, Shiu-Lun; Zhao, Shunan; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah; Wong, Keith Man-Chung","Ligand Mediated Luminescence Enhancement in Cyclometalated Rhodium(III) Complexes and Their Applications in Efficient Organic Light-Emitting Devices.","Journal of the American Chemical Society","2019","141","32","12863","12871","10.1021/jacs.9b06308","","","0.71073","MoKα","","0.033","0.0288","","","0.0815","0.0876","","","","","","1.051","","","","has coordinates","220909","2020-10-21","18:00:00",""
"4127732","12.446","0.0006","13.6369","0.0006","13.8155","0.0007","66.3865","0.0012","67.2318","0.0013","63.2273","0.0012","1856.02","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H27 F6 N4 O2 Rh -","- C45 H27 F6 N4 O2 Rh -","- C90 H54 F12 N8 O4 Rh2 -","2","1","","Wei, Fangfang; Lai, Shiu-Lun; Zhao, Shunan; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah; Wong, Keith Man-Chung","Ligand Mediated Luminescence Enhancement in Cyclometalated Rhodium(III) Complexes and Their Applications in Efficient Organic Light-Emitting Devices.","Journal of the American Chemical Society","2019","141","32","12863","12871","10.1021/jacs.9b06308","","","0.71073","MoKα","","0.0348","0.0324","","","0.0921","0.0949","","","","","","1.047","","","","has coordinates","220910","2020-10-21","18:00:00",""
"4127733","20.0754","0.0016","20.0754","0.0016","22.1042","0.0018","90","","90","","90","","8908.5","1.2","220","2","220","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C128 H110 Cl6 N32 Ni4 O36 -","- C128 H104 Cl6 N32 Ni4 O36 -","- C256 H208 Cl12 N64 Ni8 O72 -","2","0.25","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.1136","0.0833","","","0.2118","0.2277","","","","","","1.085","","","","has coordinates,has disorder","220911","2020-10-21","18:00:00",""
"4127734","33.2486","0.0009","21.1446","0.0006","24.1227","0.0007","90","","110.247","0.0014","90","","15911","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H130 Cl6 N26 Ni4 O47 -","- C116 H109 Cl6 N26 Ni4 O47 -","- C464 H436 Cl24 N104 Ni16 O188 -","4","0.5","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.1936","0.0915","","","0.2192","0.2461","","","","","","1.084","","","","has coordinates,has disorder","220912","2020-10-21","18:00:00",""
"4127735","19.851","0.0008","19.851","0.0008","22.6268","0.001","90","","90","","90","","8916.4","0.6","200","2","200","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C124 H102 B4 F16 N30 O12 Zn4 -","- C124 H98 B4 F16 N30 O12 Zn4 -","- C248 H196 B8 F32 N60 O24 Zn8 -","2","0.25","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.1055","0.0736","","","0.1741","0.1877","","","","","","1.082","","","","has coordinates,has disorder","220913","2020-10-21","18:00:00",""
"4127736","19.097","0.0019","21.105","0.002","23.148","0.002","90","","90","","90","","9329.6","1.5","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C145 H122 F24 N34 O40 S8 Zn4 -","- C145 H120 F24 N34 O40 S8 Zn4 -","- C290 H240 F48 N68 O80 S16 Zn8 -","2","0.5","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.0718","0.0561","","","0.1529","0.162","","","","","","1.077","","","","has coordinates,has disorder","220914","2020-10-21","18:00:00",""
"4127737","19.73","0.0016","19.73","0.0016","22.2762","0.0017","90","","90","","90","","8671.5","1.2","180","2","180","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C120 H96 B4 Co4 F16 N28 O12 -","- C120 H92 B4 Co4 F16 N28 O12 -","- C240 H184 B8 Co8 F32 N56 O24 -","2","0.25","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.1487","0.0733","","","0.1712","0.1883","","","","","","1.028","","","","has coordinates,has disorder","220915","2020-10-21","18:00:00",""
"4127738","19.841","0.0013","19.841","0.0013","22.7968","0.0015","90","","90","","90","","8974.3","1","180","2","180","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C124 H104 Cl6 Fe4 N30 O36 -","- C124 H98 Cl6 Fe4 N30 O36 -","- C248 H196 Cl12 Fe8 N60 O72 -","2","0.25","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.0916","0.0708","","","0.1821","0.1931","","","","","","1.079","","","","has coordinates,has disorder","220916","2020-10-21","18:00:00",""
"4127739","23.5865","0.0016","24.6752","0.0009","8.9356","0.0003","90","","90","","90","","5200.5","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H58 Cl2 N4 O Si3 -","- C45 H58 Cl2 N4 O Si3 -","- C180 H232 Cl8 N16 O4 Si12 -","4","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.1171","0.0637","","","0.1219","0.1476","","","","","","0.947","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127740","26.7305","0.0013","9.9161","0.0004","22.47","0.0013","90","","113.466","0.006","90","","5463.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H58 Cl4 N4 O Si4 -","- C45 H58 Cl4 N4 O Si4 -","- C180 H232 Cl16 N16 O4 Si16 -","4","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.1657","0.0898","","","0.2223","0.2913","","","","","","0.971","","","","has coordinates,has disorder","220917","2020-10-21","18:00:00",""
"4127741","19.1971","0.0003","27.1494","0.0003","18.067","0.0003","90","","110.909","0.002","90","","8796.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H58 N4 O Si3 -","- C45 H58 N4 O Si3 -","- C360 H464 N32 O8 Si24 -","8","2","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.0571","0.0422","","","0.1047","0.1171","","","","","","1.023","","","","has coordinates,has disorder","220917","2020-10-21","18:00:00",""
"4127742","13.9968","0.001","15.1411","0.0013","15.8329","0.0009","61.805","0.007","65.984","0.006","68.07","0.007","2632","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H78 N4 O5 Si3 -","- C53 H78 N4 O5 Si3 -","- C106 H156 N8 O10 Si6 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.1004","0.0559","","","0.1284","0.1597","","","","","","1","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127743","12.4375","0.0005","15.7696","0.0007","26.0633","0.0012","76.348","0.004","77.032","0.004","77.131","0.004","4762.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H126 N8 O5 Si6 -","- C94 H126 N8 O5 Si6 -","- C188 H252 N16 O10 Si12 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.1101","0.0603","","","0.1324","0.1655","","","","","","0.987","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127744","9.6926","0.0004","13.9099","0.0006","17.6215","0.0008","70.283","0.004","88.832","0.004","80.984","0.004","2207.51","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H64 N6 O Si3 -","- C45 H64 N6 O Si3 -","- C90 H128 N12 O2 Si6 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.069","0.0549","","","0.1438","0.1588","","","","","","1.054","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127745","9.0272","0.0007","18.6044","0.0014","18.9208","0.0012","112.095","0.007","91.889","0.006","94.254","0.006","2929.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H75 B N4 O Si3 -","- C63 H75 B N4 O Si3 -","- C126 H150 B2 N8 O2 Si6 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.1267","0.0693","","","0.145","0.1867","","","","","","1.005","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127746","12.7519","0.0005","13.089","0.0005","18.6644","0.0007","87.583","0.003","83.914","0.003","71.068","0.004","2930","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H77 B N4 O Si3 -","- C65 H77 B N4 O Si3 -","- C130 H154 B2 N8 O2 Si6 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.097","0.0786","","","0.2082","0.233","","","","","","1.035","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127747","16.335","0.002","16.335","0.002","6.4559","0.0013","90","","90","","90","","1722.6","0.5","100","","100","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- I2 Pb0.5 -","- I2 Pb0.5 -","- I16 Pb4 -","8","1","","Gautier, Romain; Paris, Michael; Massuyeau, Florian","Exciton Self-Trapping in Hybrid Lead Halides: Role of Halogen.","Journal of the American Chemical Society","2019","141","32","12619","12623","10.1021/jacs.9b04262","","","0.71073","MoKα","","0.1846","0.118","","","0.2876","0.3564","","","","","","1.309","","","","has coordinates,has disorder","220918","2020-10-21","18:00:00",""
"4127748","15.541","0.002","15.541","0.002","5.7821","0.0012","90","","90","","90","","1396.5","0.4","273","2","273.15","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- Cl2 Pb0.5 -","- Cl2 Pb0.5 -","- Cl16 Pb4 -","8","1","","Gautier, Romain; Paris, Michael; Massuyeau, Florian","Exciton Self-Trapping in Hybrid Lead Halides: Role of Halogen.","Journal of the American Chemical Society","2019","141","32","12619","12623","10.1021/jacs.9b04262","","","0.71073","MoKα","","0.1308","0.1064","","","0.2611","0.2916","","","","","","1.199","","","","has coordinates,has disorder","220919","2020-10-21","18:00:00",""
"4127749","19.099","0.004","25.697","0.005","19.253","0.004","90","","91.374","0.003","90","","9446","3","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","U19","","","- C24 H16 K22.69 O151.5 P8 U18.61 -","- C24 H16 K22.692 O151.5 P8 U18.608 -","- C48 H32 K45.384 O303 P16 U37.216 -","2","1","","Xu, Mengyu; Traustason, Hrafn; Bo, Fabrice Dal; Hickam, Sarah; Chong, Saehwa; Zhang, Lei; Oliver, Allen G.; Burns, Peter C.","Supramolecular Assembly of Geometrically Unstable Hybrid Organic-Inorganic Uranyl Peroxide Cage Clusters and Their Transformations.","Journal of the American Chemical Society","2019","141","32","12780","12788","10.1021/jacs.9b05599","","","0.71073","MoKα","","0.0875","0.0605","","","0.1438","0.159","","","","","","1.02","","","","has coordinates,has disorder","220920","2020-10-21","18:00:00",""
"4127750","19.6881","0.0013","19.6881","0.0013","19.0607","0.0018","90","","90","","90","","7388.3","1","160","2","160","2","","","","","","","","6","I 4/m","-I 4","87","U24","","","- C0 H0 K26.92 O159 P0 U24 -","- K27.024 O158.98 U24 -","- K54.048 O317.96 U48 -","2","0.125","","Xu, Mengyu; Traustason, Hrafn; Bo, Fabrice Dal; Hickam, Sarah; Chong, Saehwa; Zhang, Lei; Oliver, Allen G.; Burns, Peter C.","Supramolecular Assembly of Geometrically Unstable Hybrid Organic-Inorganic Uranyl Peroxide Cage Clusters and Their Transformations.","Journal of the American Chemical Society","2019","141","32","12780","12788","10.1021/jacs.9b05599","","","0.71073","MoKα","","0.0256","0.021","","","0.0462","0.0474","","","","","","1.05","","","","has coordinates","220921","2020-10-21","18:00:00",""
"4127751","51.236","0.005","8.7266","0.0009","9.1242","0.0009","90","","90","","90","","4079.6","0.7","200","2","200","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","0.5","","Han, Shiguo; Liu, Xitao; Liu, Yi; Xu, Zhiyun; Li, Yaobin; Hong, Maochun; Luo, Junhua; Sun, Zhihua","High-Temperature Antiferroelectric of Lead Iodide Hybrid Perovskites.","Journal of the American Chemical Society","2019","141","32","12470","12474","10.1021/jacs.9b05124","","x-ray","0.71073","MoKα","","0.0779","0.0546","","","0.1161","0.1297","","","","","","1.05","","","","has coordinates","220922","2020-10-21","18:00:00",""
"4127752","9.0291","0.0009","8.9825","0.0009","52.666","0.006","90","","90","","90","","4271.4","0.8","340","2","340.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","0.5","","Han, Shiguo; Liu, Xitao; Liu, Yi; Xu, Zhiyun; Li, Yaobin; Hong, Maochun; Luo, Junhua; Sun, Zhihua","High-Temperature Antiferroelectric of Lead Iodide Hybrid Perovskites.","Journal of the American Chemical Society","2019","141","32","12470","12474","10.1021/jacs.9b05124","","","0.71073","MoKα","","0.2133","0.1064","","","0.2053","0.2453","","","","","","1.084","","","","has coordinates","220923","2020-10-21","18:00:00",""
"4127753","6.3937","0.0006","6.3937","0.0006","52.791","0.008","90","","90","","90","","2158.1","0.4","373","2","373","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C24 H80 I20 N8 Pb6 -","2","0.0625","","Han, Shiguo; Liu, Xitao; Liu, Yi; Xu, Zhiyun; Li, Yaobin; Hong, Maochun; Luo, Junhua; Sun, Zhihua","High-Temperature Antiferroelectric of Lead Iodide Hybrid Perovskites.","Journal of the American Chemical Society","2019","141","32","12470","12474","10.1021/jacs.9b05124","","","0.71073","MoKα","","0.0795","0.051","","","0.09","0.1024","","","","","","1.041","","","","has coordinates,has disorder","220924","2020-10-21","18:00:00",""
"4127754","7.8872","0.0003","15.4283","0.0006","24.3545","0.001","94.076","0.003","92.133","0.003","97.566","0.003","2927.1","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C91 H54 S2 -","- C91 H54 S2 -","- C182 H108 S4 -","2","1","","Hu, Yunbin; Paternò, Giuseppe M; Wang, Xiao-Ye; Wang, Xin-Chang; Guizzardi, Michele; Chen, Qiang; Schollmeyer, Dieter; Cao, Xiao-Yu; Cerullo, Giulio; Scotognella, Francesco; Müllen, Klaus; Narita, Akimitsu","π-Extended Pyrene-Fused Double [7]Carbohelicene as a Chiral Polycyclic Aromatic Hydrocarbon.","Journal of the American Chemical Society","2019","141","32","12797","12803","10.1021/jacs.9b05610","","","0.71073","MoKα","","0.1394","0.0887","","","0.2228","0.2533","","","","","","1.062","","","","has coordinates,has disorder","220925","2020-10-21","18:00:00",""
"4127755","6.2022","0.0002","12.0562","0.0005","11.3655","0.0004","90","","92.957","0.002","90","","848.72","0.05","296","2","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 B O4 -","- C16 H27 B O4 -","- C32 H54 B2 O8 -","2","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.34139","GaKα","","0.0893","0.0811","","","0.2034","0.2113","","","","","","1.03","","","","has coordinates","220926","2020-10-21","18:00:00",""
"4127756","27.671","0.002","6.9365","0.0006","10.7712","0.0008","90","","100.202","0.004","90","","2034.7","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H31 B O4 -","- C19 H31 B O4 -","- C76 H124 B4 O16 -","4","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.54178","CuKα","","0.0729","0.0572","","","0.1513","0.1704","","","","","","1.025","","","","has coordinates,has disorder","220927","2020-10-21","18:00:00",""
"4127757","6.5292","0.0002","11.5538","0.0003","11.7344","0.0003","90","","101.71","0.001","90","","866.79","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 B O4 -","- C17 H27 B O4 -","- C34 H54 B2 O8 -","2","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.54178","CuKα","","0.0321","0.0316","","","0.087","0.0876","","","","","","1.059","","","","has coordinates","220928","2020-10-21","18:00:00",""
"4127758","6.9327","0.0004","7.3133","0.0004","8.9299","0.0005","90","","95.124","0.002","90","","450.94","0.04","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C20 H28 O6 -","2","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.54178","CuKα","","0.0306","0.0305","","","0.0872","0.0874","","","","","","1.031","","","","has coordinates","220929","2020-10-21","18:00:00",""
"4127759","6.7144","0.0002","11.6764","0.0003","10.844","0.0003","90","","101.962","0.001","90","","831.71","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 B O4 -","- C16 H25 B O4 -","- C32 H50 B2 O8 -","2","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.54178","CuKα","","0.0501","0.0479","","","0.1277","0.1312","","","","","","1.074","","","","has coordinates,has disorder","220930","2020-10-21","18:00:00",""
"4127760","11.18","0.02","13.88","0.02","16.93","0.03","74.23","0.04","85.68","0.03","87.32","0.04","2520","7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TS460 TT MAPB","","","- C64 H54 N2 O4 S2 -","- C64 H54 N2 O4 S2 -","- C128 H108 N4 O8 S4 -","2","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.1018","0.0777","","","0.1586","0.1678","","","","","","1.152","","","","has coordinates,has disorder","220931","2020-10-21","18:00:00",""
"4127761","10.0629","0.0019","12.379","0.003","25.104","0.005","86.773","0.007","81.159","0.007","78.54","0.007","3027.3","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","TS462-BDTOEt-MAPB","","","- C71 H63 Cl3 N4 O4 S2 -","- C71 H63 Cl3 N4 O4 S2 -","- C142 H126 Cl6 N8 O8 S4 -","2","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.1511","0.0843","","","0.2105","0.2439","","","","","","1.035","","","","has coordinates,has disorder","220932","2020-10-21","18:00:00",""
"4127762","9.4004","0.0004","11.0528","0.0005","24.834","0.001","85.538","0.002","84.11","0.001","65.666","0.001","2336.83","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BDT MAPB cryst","","","- C63 H47 N3 O S2 -","- C63 H47 N3 O S2 -","- C126 H94 N6 O2 S4 -","2","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.0853","0.0517","","","0.114","0.1275","","","","","","1.013","","","","has coordinates,has disorder","220933","2020-10-21","18:00:00",""
"4127763","9.962","0.0004","13.7057","0.0005","18.6233","0.0007","89.038","0.001","78.249","0.001","74.177","0.002","2393.11","0.16","103","2","103","2","","","","","","","","3","P -1","-P 1","2","TA-MAPB","","","- C66.5 H52 N2 -","- C66.5 H52 N2 -","- C133 H104 N4 -","2","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.0915","0.0664","","","0.1654","0.1816","","","","","","1.033","","","","has coordinates,has disorder","220934","2020-10-21","18:00:00",""
"4127764","10.0992","0.0005","12.3535","0.0006","25.0363","0.0009","85.671","0.002","80.923","0.002","78.079","0.002","3014.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TS461 BDTOMe MAPB","","","- C62 H44 N2 O2 S2 -","- C62 H44 N2 O2 S2 -","- C124 H88 N4 O4 S4 -","2","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.1178","0.0739","","","0.2091","0.2268","","","","","","0.971","","","","has coordinates","220935","2020-10-21","18:00:00",""
"4127765","9.2615","0.0009","55.194","0.006","9.7156","0.001","90","","115.71","0.003","90","","4474.7","0.8","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TS-linPY-MAPB","","","- C66 H44 N2 -","- C66 H44 N2 -","- C264 H176 N8 -","4","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.2071","0.1074","","","0.184","0.2181","","","","","","1.075","","","","has coordinates","220936","2020-10-21","18:00:00",""
"4127766","10.4389","0.0009","13.2789","0.0012","13.6962","0.0012","67.226","0.004","74.054","0.004","88.462","0.004","1676.4","0.3","100","2","99.96","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H33 Cl3 N2 O7 -","- C36 H33 Cl3 N2 O7 -","- C72 H66 Cl6 N4 O14 -","2","1","","Zhang, Wenhan; Chu, Jennifer; Cyr, Andrew M.; Yueh, Han; Brown, Lauren E.; Wang, Tony T.; Pelletier, Jerry; Porco, Jr, John A","Intercepted Retro-Nazarov Reaction: Syntheses of Amidino-Rocaglate Derivatives and Their Biological Evaluation as eIF4A Inhibitors.","Journal of the American Chemical Society","2019","141","32","12891","12900","10.1021/jacs.9b06446","","","1.54178","CuKα","","0.0832","0.0767","","","0.1798","0.1831","","","","","","1.095","","","","has coordinates,has disorder","220937","2020-10-21","18:00:00",""
"4127767","16.04116","0.00011","13.40403","0.00008","7.62996","0.00005","90","","90","","90","","1640.56","0.018","85","2","85","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 B F9 N6 Ni -","- C12 H10 B F9 N6 Ni -","- C48 H40 B4 F36 N24 Ni4 -","4","0.5","","Meucci, Elizabeth A.; Nguyen, Shay N.; Camasso, Nicole M.; Chong, Eugene; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Nickel(IV)-Catalyzed C-H Trifluoromethylation of (Hetero)arenes.","Journal of the American Chemical Society","2019","141","32","12872","12879","10.1021/jacs.9b06383","","","1.54184","CuKα","","0.0297","0.0296","","","0.0791","0.0792","","","","","","1.116","","","","has coordinates","220938","2020-10-21","18:00:00",""
"4127768","27.6539","0.0018","31.523","0.002","9.6026","0.0006","90","","90","","90","","8370.9","0.9","133","2","133","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C84 H142 K O10 Th -","- C84 H142 K O10 Th -","- C336 H568 K4 O40 Th4 -","4","1","","Huh, Daniel N.; Roy, Saswata; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Isolation of a Square-Planar Th(III) Complex: Synthesis and Structure of [Th(OC<sub>6</sub>H<sub>2</sub><sup>t</sup>Bu<sub>2</sub>-2,6-Me-4)<sub>4</sub>]<sup>1</sup>.","Journal of the American Chemical Society","2019","141","32","12458","12463","10.1021/jacs.9b04399","","","0.71073","MoKα","","0.0454","0.0346","","","0.0698","0.0734","","","","","","1.058","","","","has coordinates,has disorder","220939","2020-10-21","18:00:00",""
"4127769","20.987","0.003","19.879","0.003","39.091","0.006","90","","95.3671","0.0019","90","","16237","4","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78.5 H128.5 Li O8.5 Th -","- C78.5 H128.75 Li O8.5 Th -","- C628 H1030 Li8 O68 Th8 -","8","1","","Huh, Daniel N.; Roy, Saswata; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Isolation of a Square-Planar Th(III) Complex: Synthesis and Structure of [Th(OC<sub>6</sub>H<sub>2</sub><sup>t</sup>Bu<sub>2</sub>-2,6-Me-4)<sub>4</sub>]<sup>1</sup>.","Journal of the American Chemical Society","2019","141","32","12458","12463","10.1021/jacs.9b04399","","","0.71073","MoKα","","0.0499","0.0385","","","0.0918","0.0967","","","","","","1.035","","","","has coordinates,has disorder","220940","2020-10-21","18:00:00",""
"4127770","6.2457","0.0002","23.7522","0.0007","15.0056","0.0004","90","","93.4","0.003","90","","2222.15","0.11","298","0.1","298","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C48 H72 N24 O72 -","6","1.5","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0554","0.0421","","","0.0937","0.1005","","","","","","1.041","","","","has coordinates","220941","2020-10-21","18:00:00",""
"4127771","26.9938","0.0019","17.3049","0.0009","6.0736","0.0005","90","","90","","90","","2837.1","0.3","296","3","296","3","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C64 H96 N32 O96 -","8","0.5","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0326","0.0303","","","0.0716","0.0731","","","","","","1.084","","","","has coordinates","220942","2020-10-21","18:00:00",""
"4127772","7.6027","0.0004","9.8312","0.0004","9.8783","0.0004","90","","93.581","0.005","90","","736.9","0.06","298","0.1","298","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C16 H24 N8 O24 -","2","1","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0472","0.0399","","","0.0725","0.0757","","","","","","1.053","","","","has coordinates","220943","2020-10-21","18:00:00",""
"4127773","12.8079","0.0004","9.3371","0.0003","12.0047","0.0004","90","","95.751","0.003","90","","1428.4","0.08","298","0.1","298","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C32 H48 N16 O48 -","4","0.5","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0364","0.0337","","","0.088","0.0901","","","","","","1.096","","","","has coordinates","220944","2020-10-21","18:00:00",""
"4127774","7.9408","0.0003","16.135","0.0007","11.2323","0.0004","90","","90","","90","","1439.14","0.1","298","0.1","298","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C32 H48 N16 O48 -","4","0.5","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0475","0.0412","","","0.1016","0.1067","","","","","","1.122","","","","has coordinates","220945","2020-10-21","18:00:00",""
"4127775","4.18488","0.00007","4.18488","0.00007","14.5659","0.0004","90","","90","","90","","255.096","0.009","300","","300","","","","","","","","","4","I 41 m d","I 4bw -2","109","LaNiSiH1.50","LaNiSiH1.50","","- H1.5 La Ni Si -","- H1.472 La Ni Si -","- H5.888 La4 Ni4 Si4 -","4","0.25","","Mizoguchi, Hiroshi; Park, Sang-Won; Kishida, Kazuhisa; Kitano, Masaaki; Kim, Junghwan; Sasase, Masato; Honda, Takashi; Ikeda, Kazutaka; Otomo, Toshiya; Hosono, Hideo","Zeolitic Intermetallics: LnNiSi (Ln = La-Nd).","Journal of the American Chemical Society","2019","141","8","3376","3379","10.1021/jacs.8b12784","powder diffraction","","","TOFNeutronDiffraction","","","","","","","","","0.069525","0.236","","","","","","","has coordinates","220946","2020-10-21","18:00:00",""
"4127776","5.6789","0.0001","14.8057","0.0003","19.0477","0.0004","90","","90","","90","","1601.53","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O -","- C21 H20 O -","- C84 H80 O4 -","4","1","","Chen, Yue-Gang; Shuai, Bin; Xu, Xue-Tao; Li, Yi-Qian; Yang, Qi-Liang; Qiu, Hui; Zhang, Kun; Fang, Ping; Mei, Tian-Sheng","Nickel-catalyzed Enantioselective Hydroarylation and Hydroalkenylation of Styrenes.","Journal of the American Chemical Society","2019","141","8","3395","3399","10.1021/jacs.8b13524","","","1.54178","CuKα","","0.0635","0.0587","","","0.1677","0.1762","","","","","","1.03","","","","has coordinates","220947","2020-10-21","18:00:00",""
"4127777","6.4416","0.0003","10.2487","0.0004","49.282","0.003","90","","90","","90","","3253.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Cl N O -","- C17 H22 Cl N O -","- C136 H176 Cl8 N8 O8 -","8","2","","Chen, Yue-Gang; Shuai, Bin; Xu, Xue-Tao; Li, Yi-Qian; Yang, Qi-Liang; Qiu, Hui; Zhang, Kun; Fang, Ping; Mei, Tian-Sheng","Nickel-catalyzed Enantioselective Hydroarylation and Hydroalkenylation of Styrenes.","Journal of the American Chemical Society","2019","141","8","3395","3399","10.1021/jacs.8b13524","","","0.71073","MoKα","","0.1178","0.0811","","","0.1946","0.2244","","","","","","0.993","","","","has coordinates","220948","2020-10-21","18:00:00",""
"4127778","9.1614","0.0006","9.5112","0.0006","10.1222","0.0006","63.418","0.002","76.896","0.002","74.291","0.002","753.58","0.08","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C36 H44 O8 -","2","1","","Xie, Shengling; Chen, Gui; Yan, Hao; Hou, Jieping; He, Yongping; Zhao, Tongyun; Xu, Jing","13-Step Total Synthesis of Atropurpuran.","Journal of the American Chemical Society","2019","141","8","3435","3439","10.1021/jacs.9b00391","","","0.71073","MoKα","","0.0871","0.0798","","","0.2478","0.259","","","","","","1.111","","","","has coordinates","220949","2020-10-21","18:00:00",""
"4127779","21.454","0.003","16.346","0.002","22.919","0.003","90","","90","","90","","8037.4","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","DACstartCuCz(CN)2","","","- C44 H46 Cu N5 O2 -","- C44 H46 Cu N5 O2 -","- C352 H368 Cu8 N40 O16 -","8","1","","Shi, Shuyang; Jung, Moon Chul; Coburn, Caleb; Tadle, Abegail; Sylvinson M R, Daniel; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","8","3576","3588","10.1021/jacs.8b12397","","","0.71073","MoKα","","0.0639","0.0397","","","0.0883","0.0975","","","","","","1.04","","","","has coordinates","220950","2020-10-21","18:00:00",""
"4127780","21.45","0.004","16.176","0.003","23.183","0.005","90","","90","","90","","8044","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MAACCuCzCN2","","","- C44 H49 Cu N5 O -","- C44 H48 Cu N5 O -","- C352 H384 Cu8 N40 O8 -","8","1","","Shi, Shuyang; Jung, Moon Chul; Coburn, Caleb; Tadle, Abegail; Sylvinson M R, Daniel; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","8","3576","3588","10.1021/jacs.8b12397","","","0.71073","MoKα","","0.0501","0.0342","","","0.0815","0.0898","","","","","","1.013","","","","has coordinates","220951","2020-10-21","18:00:00",""
"4127781","13.515","0.007","23.275","0.012","13.016","0.007","90","","113.2","0.008","90","","3763","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MAACCuCz","","","- C42 H50 Cu N3 O -","- C42 H50 Cu N3 O -","- C168 H200 Cu4 N12 O4 -","4","1","","Shi, Shuyang; Jung, Moon Chul; Coburn, Caleb; Tadle, Abegail; Sylvinson M R, Daniel; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","8","3576","3588","10.1021/jacs.8b12397","","","0.71073","MoKα","","0.1061","0.0795","","","0.1607","0.1687","","","","","","1.267","","","","has coordinates,has disorder","220952","2020-10-21","18:00:00",""
"4127782","16.236","0.005","23.108","0.006","21.854","0.006","90","","98.613","0.006","90","","8107","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MAACCuCzCN","","","- C43 H47 Cu N4 O -","- C43 H47 Cu N4 O -","- C344 H376 Cu8 N32 O8 -","8","1","","Shi, Shuyang; Jung, Moon Chul; Coburn, Caleb; Tadle, Abegail; Sylvinson M R, Daniel; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","8","3576","3588","10.1021/jacs.8b12397","","","0.71073","MoKα","","0.0477","0.0419","","","0.0996","0.1018","","","","","","1.119","","","","has coordinates,has disorder","220953","2020-10-21","18:00:00",""
"4127783","12.114","0.0001","12.9777","0.0001","14.7578","0.0001","90","","90","","90","","2320.1","0.03","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N2 O4.5 -","- C27 H28 N2 O4.5 -","- C108 H112 N8 O18 -","4","1","","Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.","Total Syntheses of Herqulines B and C.","Journal of the American Chemical Society","2019","141","8","3409","3413","10.1021/jacs.8b13849","","","1.54184","CuKα","","0.0351","0.0337","","","0.0899","0.0927","","","","","","1.077","","","","has coordinates","220954","2020-10-21","18:00:00",""
"4127784","10.8485","0.0003","8.5152","0.0003","15.5978","0.0006","90","","106.083","0.003","90","","1384.49","0.08","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H34 Cl N2 O2.5 -","- C27 H34 Cl N2 O2.5 -","- C54 H68 Cl2 N4 O5 -","2","1","","Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.","Total Syntheses of Herqulines B and C.","Journal of the American Chemical Society","2019","141","8","3409","3413","10.1021/jacs.8b13849","","","1.54184","CuKα","","0.0655","0.064","","","0.1693","0.1718","","","","","","1.037","","","","has coordinates,has disorder","220955","2020-10-21","18:00:00",""
"4127785","7.21026","0.00009","12.31353","0.00012","15.41477","0.00014","90","","96.9925","0.001","90","","1358.4","0.02","85","2","85","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H36 N2 O2 -","- C33 H36 N2 O2 -","- C66 H72 N4 O4 -","2","1","","Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.","Total Syntheses of Herqulines B and C.","Journal of the American Chemical Society","2019","141","8","3409","3413","10.1021/jacs.8b13849","","","1.54184","CuKα","","0.0326","0.0322","","","0.082","0.0825","","","","","","1.087","","","","has coordinates","220956","2020-10-21","18:00:00",""
"4127786","10.8605","0.0002","8.5051","0.0001","15.6375","0.0004","90","","106.459","0.002","90","","1385.24","0.05","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 Cl N2 O2 -","- C27 H35 Cl N2 O2 -","- C54 H70 Cl2 N4 O4 -","2","1","","Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.","Total Syntheses of Herqulines B and C.","Journal of the American Chemical Society","2019","141","8","3409","3413","10.1021/jacs.8b13849","","","1.54184","CuKα","","0.0929","0.0892","","","0.2434","0.2514","","","","","","1.064","","","","has coordinates","220957","2020-10-21","18:00:00",""
"4127787","4.9345","0.0001","8.6504","0.0002","23.3738","0.0006","90","","90","","90","","997.72","0.04","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 F3 N O -","- C10 H10 F3 N O -","- C40 H40 F12 N4 O4 -","4","1","","Gimenez, Diana; Zhou, Guangfeng; Hurley, Matthew F. D.; Aguilar, Juan A.; Voelz, Vincent A.; Cobb, Steven L.","Fluorinated Aromatic Monomers as Building Blocks To Control α-Peptoid Conformation and Structure.","Journal of the American Chemical Society","2019","141","8","3430","3434","10.1021/jacs.8b13498","","x-ray","1.54178","CuKα","","0.0223","0.022","","","0.0572","0.0576","","","","","","1.086","","","","has coordinates","220958","2020-10-21","18:00:00",""
"4127788","7.8351","0.0006","13.23","0.001","8.4949","0.0007","90","","92.544","0.004","90","","879.7","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Br N O2 S -","- C19 H20 Br N O2 S -","- C38 H40 Br2 N2 O4 S2 -","2","1","","Ma, Xiaofeng; Hazelden, Ian R.; Langer, Thomas; Munday, Rachel H.; Bower, John F.","Enantioselective Aza-Heck Cyclizations of N-(Tosyloxy)carbamates: Synthesis of Pyrrolidines and Piperidines.","Journal of the American Chemical Society","2019","141","8","3356","3360","10.1021/jacs.8b12689","","","0.71073","MoKα","","0.0199","0.019","","","0.0458","0.0461","","","","","","1.046","","","","has coordinates","220959","2020-10-21","18:00:00",""
"4127789","7.566","0.0004","21.7993","0.0011","8.4539","0.0004","90","","117.515","0.002","90","","1236.62","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Cd N3 O5 -","- C8 H13 Cd N3 O5 -","- C32 H52 Cd4 N12 O20 -","4","1","","do Nascimento Neto, José Antônio; Valdo, Ana Karoline Silva Mendanha; da Silva, Cameron Capeletti; Guimarães, Freddy Fernandes; Queiroz Júnior, Luiz Henrique Keng; Maia, Lauro June Queiroz; de Santana, Ricardo Costa; Martins, Felipe Terra","A Blue-Light-Emitting Cadmium Coordination Polymer with 75.4% Photoluminescence Quantum Yield.","Journal of the American Chemical Society","2019","141","8","3400","3403","10.1021/jacs.8b13561","","","0.71073","MoKα","","0.0301","0.0264","","","0.0711","0.074","","","","","","1.115","","","","has coordinates,has disorder","220960","2020-10-21","18:00:00",""
"4127790","16.8628","0.0012","20.1743","0.0015","27.8022","0.0019","90","","90","","90","","9458.2","1.2","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C56 H32 As8 Ba8 O78 Pd13 -","- C56 H32 As8 Ba8 O78 Pd13 -","- C112 H64 As16 Ba16 O156 Pd26 -","2","0.25","","Bhattacharya, Saurav; Ayass, Wassim W.; Taffa, Dereje H.; Schneemann, Andreas; Semrau, A. Lisa; Wannapaiboon, Suttipong; Altmann, Philipp J.; Pöthig, Alexander; Nisar, Talha; Balster, Torsten; Burtch, Nicholas C.; Wagner, Veit; Fischer, Roland A.; Wark, Michael; Kortz, Ulrich","Discovery of Polyoxo-Noble-Metalate-Based Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","8","3385","3389","10.1021/jacs.8b13397","","","0.71073","MoKα","","0.0756","0.0601","","","0.1685","0.1761","","","","","","1.087","","","","has coordinates,has disorder","220961","2020-10-21","18:00:00",""
"4127791","15.387","0.006","3.6524","0.0016","12.755","0.006","90","","90","","90","","716.8","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H5 K Li N3 O5 -","- C3 K Li N3 O5 -","- C12 K4 Li4 N12 O20 -","4","1","","Lin, Donghong; Luo, Min; Lin, Chensheng; Xu, Feng; Ye, Ning","KLi(HC<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)·2H<sub>2</sub>O: Solvent-drop Grinding Method toward the Hydro-isocyanurate Nonlinear Optical Crystal.","Journal of the American Chemical Society","2019","141","8","3390","3394","10.1021/jacs.8b13280","","","0.71073","MoKα","","0.0287","0.0282","","","0.0803","0.0806","","","","","","1.001","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4127792","7.2556","0.0003","12.7487","0.0007","18.2452","0.0007","90","","91.333","0.004","90","","1687.21","0.13","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H27 Co N3 S2 Si -","- C11 H27 Co N3 S2 Si -","- C44 H108 Co4 N12 S8 Si4 -","4","1","","Gordon, Jesse B.; Vilbert, Avery C.; Siegler, Maxime A.; Lancaster, Kyle M.; Moënne-Loccoz, Pierre; Goldberg, David P.","A Nonheme Thiolate-Ligated Cobalt Superoxo Complex: Synthesis and Spectroscopic Characterization, Computational Studies, and Hydrogen Atom Abstraction Reactivity.","Journal of the American Chemical Society","2019","141","8","3641","3653","10.1021/jacs.8b13134","","","0.71073","MoKα","","0.0471","0.036","","","0.0788","0.0814","","","","","","0.927","","","","has coordinates,has disorder","220963","2020-10-21","18:00:00",""
"4127793","18.6494","0.0009","14.254","0.0007","20.795","0.0011","90","","98.803","0.003","90","","5462.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H77 Cl2 Ge2 P -","- C60 H77 Cl2 Ge2 P -","- C240 H308 Cl8 Ge8 P4 -","4","1","","Krebs, Kilian M.; Hanselmann, Dominik; Schubert, Hartmut; Wurst, Kai; Scheele, Marcus; Wesemann, Lars","Phosphine-Stabilized Digermavinylidene.","Journal of the American Chemical Society","2019","141","8","3424","3429","10.1021/jacs.8b13645","","","0.71073","MoKα","","0.0587","0.0518","","","0.1139","0.1162","","","","","","1.266","","","","has coordinates,has disorder","220964","2020-10-21","18:00:00",""
"4127794","9.5389","0.0002","16.2601","0.0004","16.9069","0.0004","83.432","0.001","81.179","0.001","88.272","0.001","2574.08","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H69 Ge2 P -","- C60 H69 Ge2 P -","- C120 H138 Ge4 P2 -","2","1","","Krebs, Kilian M.; Hanselmann, Dominik; Schubert, Hartmut; Wurst, Kai; Scheele, Marcus; Wesemann, Lars","Phosphine-Stabilized Digermavinylidene.","Journal of the American Chemical Society","2019","141","8","3424","3429","10.1021/jacs.8b13645","","","0.71073","MoKα","","0.0435","0.0315","","","0.0747","0.0796","","","","","","1.018","","","","has coordinates","220965","2020-10-21","18:00:00",""
"4127795","19.535","0.0006","19.535","0.0006","19.535","0.0006","90","","90","","90","","7454.9","0.4","100","2","100","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- C6.67 H10 Ge0.67 N0.67 -","- C6.66667 H10 Ge0.666667 N0.666667 -","- C320 H480 Ge32 N32 -","48","2","","Krebs, Kilian M.; Hanselmann, Dominik; Schubert, Hartmut; Wurst, Kai; Scheele, Marcus; Wesemann, Lars","Phosphine-Stabilized Digermavinylidene.","Journal of the American Chemical Society","2019","141","8","3424","3429","10.1021/jacs.8b13645","","","0.71073","MoKα","","0.0503","0.0268","","","0.056","0.062","","","","","","1.086","","","","has coordinates","220966","2020-10-21","18:00:00",""
"4127796","10.8251","0.0004","28.5433","0.001","18.1586","0.0006","90","","91.12","0.002","90","","5609.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H78 Ge2 P2 -","- C65 H78 Ge2 P2 -","- C260 H312 Ge8 P8 -","4","2","","Krebs, Kilian M.; Hanselmann, Dominik; Schubert, Hartmut; Wurst, Kai; Scheele, Marcus; Wesemann, Lars","Phosphine-Stabilized Digermavinylidene.","Journal of the American Chemical Society","2019","141","8","3424","3429","10.1021/jacs.8b13645","","","0.71073","MoKα","","0.0895","0.0581","","","0.1002","0.1117","","","","","","1.067","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4127797","28.5768","0.0002","28.5768","0.0002","9.68441","0.00009","90","","90","","120","","6849.06","0.09","100","","100","","","","","","","","","3","P 63","P 6c","173","","","","- C15 H30 O2 -","- C15 H30 O2 -","- C270 H540 O36 -","18","3","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0491","0.0437","","","0.1147","0.123","","","","","","1.068","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4127798","9.9823","0.0004","16.935","0.0005","11.0277","0.0004","90","","109.749","0.004","90","","1754.58","0.12","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","","0.71073","MoKα","","0.0835","0.0674","","","0.1577","0.1652","","","","","","1.024","","","","has coordinates","220969","2020-10-21","18:00:00",""
"4127799","5.29465","0.00006","19.8691","0.0002","39.0839","0.0004","90","","90","","90","","4111.62","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 O -","- C15 H28 O -","- C180 H336 O12 -","12","3","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.1002","0.0796","","","0.2066","0.2303","","","","","","1.092","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4127800","5.19326","0.00005","10.12354","0.00009","25.958","0.0002","90","","90","","90","","1364.72","0.02","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 O -","- C15 H28 O -","- C60 H112 O4 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0311","0.0301","","","0.0771","0.0777","","","","","","1.061","","","","has coordinates","220972","2020-10-21","18:00:00",""
"4127801","15.14","0.0003","8.47783","0.00014","22.8203","0.0004","90","","90","","90","","2929.08","0.09","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H30 O2 -","- C15 H30 O2 -","- C120 H240 O16 -","8","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0611","0.0488","","","0.1227","0.1347","","","","","","1.029","","","","has coordinates","220973","2020-10-21","18:00:00",""
"4127802","7.80152","0.00017","15.1999","0.0004","16.6629","0.0005","90","","90","","90","","1975.93","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O4 -","- C22 H31 N O4 -","- C88 H124 N4 O16 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0761","0.0536","","","0.0897","0.1006","","","","","","1.031","","","","has coordinates","220974","2020-10-21","18:00:00",""
"4127803","8.82878","0.00014","8.60788","0.00012","13.17393","0.00018","90","","103.457","0.0015","90","","973.69","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O4 -","- C21 H34 O4 -","- C42 H68 O8 -","2","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.04","0.0383","","","0.1013","0.1033","","","","","","1.053","","","","has coordinates","220975","2020-10-21","18:00:00",""
"4127804","8.8017","0.0006","25.5888","0.0014","8.8696","0.0007","90","","112.309","0.009","90","","1848.1","0.2","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O3 -","- C20 H34 O3 -","- C80 H136 O12 -","4","2","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","","0.71073","MoKα","","0.0864","0.073","","","0.1741","0.1854","","","","","","1.053","","","","has coordinates","220976","2020-10-21","18:00:00",""
"4127805","15.6672","0.0001","15.6672","0.0001","6.9521","0.0001","90","","90","","120","","1477.85","0.03","100","2","100","2","","","","","","","","3","P 32","P 32","145","","","","- C20 H32 O -","- C20 H32 O -","- C60 H96 O3 -","3","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0585","0.0501","","","0.1217","0.1303","","","","","","1.075","","","","has coordinates","220977","2020-10-21","18:00:00",""
"4127806","16.7996","0.0008","7.775","0.0003","19.4691","0.001","90","","103.809","0.005","90","","2469.5","0.2","179.98","0.13","179.98","0.13","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H35 N O4 -","- C27 H35 N O4 -","- C108 H140 N4 O16 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","","0.71073","MoKα","","0.0425","0.0349","","","0.0826","0.0853","","","","","","1.041","","","","has coordinates","220978","2020-10-21","18:00:00",""
"4127807","10.0448","0.00016","10.66539","0.00017","12.99878","0.0002","90","","90","","90","","1392.58","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O -","- C15 H26 O -","- C60 H104 O4 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0297","0.0284","","","0.0745","0.0752","","","","","","1.052","","","","has coordinates","220979","2020-10-21","18:00:00",""
"4127808","5.2757","0.0002","12.2737","0.0005","14.991","0.0007","75.6814","0.0014","84.387","0.0013","80.6867","0.0012","926.45","0.07","298","2","298","2","","","","","","","","2","P -1","-P 1","2","","5,9,14,18-tetrabutyl-bisnaphtho[2',3':3,4]cyclobut[1,2-b:1',2'-i]anthracene","","- C50 H50 -","- C50 H50 -","- C50 H50 -","1","0.5","","Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian","Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.","Journal of the American Chemical Society","2019","141","8","3589","3596","10.1021/jacs.8b12671","","","0.71073","MoKα","","0.1057","0.0807","","","0.2243","0.26","","","","","","1.032","","","","has coordinates","220980","2020-10-21","18:00:00",""
"4127809","7.457","0.0004","17.701","0.0011","18.1186","0.001","73.7794","0.0017","78.4187","0.0018","79.3591","0.0019","2228.5","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","5,9,14,18-tetrahexyl-bisnaphtho[2',3':3,4]cyclobut[1,2-b:1',2'-i]anthracene","","- C58 H66 -","- C58 H66 -","- C116 H132 -","2","1","","Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian","Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.","Journal of the American Chemical Society","2019","141","8","3589","3596","10.1021/jacs.8b12671","","","0.71073","MoKα","","0.0978","0.0717","","","0.1775","0.1945","","","","","","1.061","","","","has coordinates,has disorder","220981","2020-10-21","18:00:00",""
"4127810","18.5667","0.0008","5.4401","0.0002","26.2707","0.001","90","","100.313","0.0013","90","","2610.59","0.18","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","5,9,14,18-tetraoctyl-bisnaphtho[2',3':3,4]cyclobut[1,2-b:1',2'-i]anthracene","","- C66 H82 -","- C66 H82 -","- C132 H164 -","2","0.5","","Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian","Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.","Journal of the American Chemical Society","2019","141","8","3589","3596","10.1021/jacs.8b12671","","","0.71073","MoKα","","0.1222","0.0712","","","0.1742","0.2024","","","","","","1.019","","","","has coordinates","220982","2020-10-21","18:00:00",""
"4127811","11.9595","0.0007","12.1909","0.0007","13.5416","0.0008","83.5564","0.0015","78.4471","0.0015","64.2983","0.0014","1742.23","0.18","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","5,9,14,18-tetrahexyl-7,16-bis(triisopropylethynyl)bisnaphtho[2',3':3,4]cyclobut[1,2-b:1',2'-i]anthracene","","- C80 H106 Si2 -","- C80 H106 Si2 -","- C80 H106 Si2 -","1","0.5","","Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian","Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.","Journal of the American Chemical Society","2019","141","8","3589","3596","10.1021/jacs.8b12671","","","0.71073","MoKα","","0.1517","0.094","","","0.2228","0.2566","","","","","","1.07","","","","has coordinates","220983","2020-10-21","18:00:00",""
"4127812","8.4074","0.0002","22.0519","0.0005","13.4051","0.0003","90","","93.3748","0.0013","90","","2480.98","0.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,9,14,18-tetramethyl-7,16-bis(triisopropylethynyl)bisnaphtho[2',3':3,4]cyclobut[1,2-b:1',2'-i]anthracene","","- C60 H66 Si2 -","- C60 H66 Si2 -","- C120 H132 Si4 -","2","0.5","","Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian","Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.","Journal of the American Chemical Society","2019","141","8","3589","3596","10.1021/jacs.8b12671","","","0.71073","MoKα","","0.089","0.0626","","","0.1711","0.1942","","","","","","1.036","","","","has coordinates","220984","2020-10-21","18:00:00",""
"4127813","8.437","0.003","13.211","0.005","15.74","0.006","86.979","0.005","86.428","0.005","84.577","0.005","1741.2","1.1","290","","290","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H10 F6 N2 O2 Pd -","- C17 H10 F6 N2 O2 Pd -","- C68 H40 F24 N8 O8 Pd4 -","4","2","","Khalil, Abdullah; Karothu, Durga Prasad; Naumov, Panče","Direct Quantification of Rapid and Efficient Single-Stroke Actuation by a Martensitic Transition in a Thermosalient Crystal.","Journal of the American Chemical Society","2019","141","8","3371","3375","10.1021/jacs.8b12752","","x-ray","0.71073","MoKα","","0.0391","0.0318","","","0.0738","0.0801","","","","","","1.075","","","","has coordinates","220985","2020-10-21","18:00:00",""
"4127814","10.1368","0.0004","16.7143","0.0007","39.9206","0.0018","90","","90","","90","","6763.7","0.5","230","2","230","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H46 B Cl N2 O4 -","- C33 H46 B Cl N2 O4 -","- C264 H368 B8 Cl8 N16 O32 -","8","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0772","0.0534","","","0.1462","0.1596","","","","","","1.29","","","","has coordinates","220986","2020-10-21","18:00:00",""
"4127815","14.5624","0.0006","18.4649","0.0007","38.235","0.0015","90","","90","","90","","10281.1","0.7","230","2","230","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H31 B N2 O4 -","- C26 H31 B N2 O4 -","- C416 H496 B16 N32 O64 -","16","2","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0697","0.0496","","","0.1441","0.1561","","","","","","1.443","","","","has coordinates","220987","2020-10-21","18:00:00",""
"4127816","8.3105","0.0004","9.8008","0.0005","9.9682","0.0005","74.16","0.004","81.438","0.004","70.283","0.003","733.83","0.07","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 B N2 O4 -","- C14 H17 B N2 O4 -","- C28 H34 B2 N4 O8 -","2","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0669","0.0564","","","0.1624","0.1716","","","","","","1.678","","","","has coordinates","220988","2020-10-21","18:00:00",""
"4127817","18.2555","0.0014","10.0709","0.0006","9.1697","0.0006","90","","90","","90","","1685.8","0.2","230","2","230","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H23 B N2 O4 -","- C14 H23 B N2 O4 -","- C56 H92 B4 N8 O16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0712","0.0525","","","0.1305","0.1473","","","","","","1.052","","","","has coordinates","220989","2020-10-21","18:00:00",""
"4127818","10.2645","0.0004","15.635","0.0006","19.4355","0.0008","90","","101.166","0.002","90","","3060.1","0.2","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 B N2 O4 -","- C32 H43 B N2 O4 -","- C128 H172 B4 N8 O16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0617","0.0495","","","0.141","0.1483","","","","","","1.414","","","","has coordinates","220990","2020-10-21","18:00:00",""
"4127819","10.2682","0.0004","25.7454","0.0011","10.526","0.0005","90","","96.999","0.003","90","","2761.9","0.2","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 B Cl N2 O4 -","- C27 H34 B Cl N2 O4 -","- C108 H136 B4 Cl4 N8 O16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0673","0.0512","","","0.1473","0.1551","","","","","","1.394","","","","has coordinates","220991","2020-10-21","18:00:00",""
"4127820","17.9193","0.0014","6.1437","0.0004","14.5047","0.0011","90","","90","","90","","1596.8","0.2","230","2","230","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H23 B N2 O4 -","- C14 H23 B N2 O4 -","- C56 H92 B4 N8 O16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0546","0.0418","","","0.0742","0.0776","","","","","","1.462","","","","has coordinates","220992","2020-10-21","18:00:00",""
"4127821","9.5672","0.0011","3.2014","0.0005","6.104","0.0007","90","","90","","90","","186.96","0.04","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- B Na2 P2 -","- B0.94 Na2 P2 -","- B1.88 Na4 P4 -","2","0.25","","Woo, Katherine E.; Wang, Jian; Mark, Justin; Kovnir, Kirill","Directing Boron-Phosphorus Bonds in Crystalline Solid: Oxidative Polymerization of P═B═P Monomers into 1D Chains.","Journal of the American Chemical Society","2019","141","33","13017","13021","10.1021/jacs.9b06803","","","0.71073","MoKα","","0.082","0.0505","","","0.1157","0.1275","","","","","","1.124","","","","has coordinates","220993","2020-10-21","18:00:00",""
"4127822","9.0087","0.0007","12.5422","0.001","9.4589","0.0007","90","","110.777","0.002","90","","999.25","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N4 -","- C11 H12 N4 -","- C44 H48 N16 -","4","1","","Xia, Ying; Ochi, Shusuke; Dong, Guangbin","Two-Carbon Ring Expansion of 1-Indanones via Insertion of Ethylene into Carbon-Carbon Bonds.","Journal of the American Chemical Society","2019","141","33","13038","13042","10.1021/jacs.9b07445","","","0.71073","MoKα","","0.0576","0.039","","","0.0929","0.1028","","","","","","1.034","","","","has coordinates","220994","2020-10-21","18:00:00",""
"4127823","7.2034","0.0004","14.0718","0.0009","17.7298","0.001","90","","90","","90","","1797.18","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O2 -","- C23 H28 O2 -","- C92 H112 O8 -","4","1","","Xia, Ying; Ochi, Shusuke; Dong, Guangbin","Two-Carbon Ring Expansion of 1-Indanones via Insertion of Ethylene into Carbon-Carbon Bonds.","Journal of the American Chemical Society","2019","141","33","13038","13042","10.1021/jacs.9b07445","","","0.71073","MoKα","","0.0821","0.0508","","","0.0908","0.1001","","","","","","1.018","","","","has coordinates","220995","2020-10-21","18:00:00",""
"4127824","22.6075","0.0003","14.13495","0.00015","24.5014","0.0003","90","","105.367","0.0012","90","","7549.65","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C116 H266 K8 N32 O P8 -","- C116 H266 K8 N32 O0.5 P8 -","- C232 H532 K16 N64 O P16 -","2","0.5","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","x-ray","0.71073","MoKα","","0.055","0.0392","","","0.0996","0.1054","","","","","","1.048","","","","has coordinates,has disorder","220996","2020-10-21","18:00:00",""
"4127825","22.4833","0.0011","15.9381","0.0008","25.5112","0.0016","90","","114.512","0.002","90","","8317.8","0.8","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H138 K N16 O P4 Tb -","- C60 H138 K N16 O P4 Tb -","- C240 H552 K4 N64 O4 P16 Tb4 -","4","0.5","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","","0.71073","MoKα","","0.0381","0.0327","","","0.0863","0.0889","","","","","","1.042","","","","has coordinates,has disorder","220997","2020-10-21","18:00:00",""
"4127826","24.279","0.005","14.385","0.003","23.002","0.005","90","","108.768","0.007","90","","7606","3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C64 H129 K N16 O P4 Tb -","- C64 H129 K N16 O P4 Tb -","- C256 H516 K4 N64 O4 P16 Tb4 -","4","1","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","","0.71073","MoKα","","0.0977","0.0576","","","0.1097","0.1283","","","","","","1.026","","","","has coordinates","220998","2020-10-21","18:00:00",""
"4127827","13.2756","0.0008","13.2756","0.0008","21.077","0.003","90","","90","","90","","3714.6","0.6","107","2","107.43","","","","","","","","","5","I -4","I -4","82","","","","- C66 H152 N16 P4 Tb -","- C66 H152 N16 P4 Tb -","- C132 H304 N32 P8 Tb2 -","2","0.25","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","","0.71073","MoKα","","0.0375","0.0362","","","0.0721","0.073","","","","","","1.052","","","","has coordinates,has disorder","220999","2020-10-21","18:00:00",""
"4127828","22.587","0.003","15.454","0.002","25.702","0.004","90","","114.727","0.005","90","","8149","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H148 K N16 O2 P4 Tb -","- C64 H148 K N16 O2 P4 Tb -","- C256 H592 K4 N64 O8 P16 Tb4 -","4","1","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","","0.71073","MoKα","","0.1015","0.0846","","","0.1845","0.1944","","","","","","1.219","","","","has coordinates,has disorder","221000","2020-10-21","18:00:00",""
"4127829","7.0268","0.0003","7.1474","0.0003","24.4123","0.0009","87.164","0.003","86.258","0.003","68.098","0.004","1134.73","0.09","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 F N3 O4 S2 -","- C21 H28 F N3 O4 S2 -","- C42 H56 F2 N6 O8 S4 -","2","1","","Zhang, Ze-Xin; Davies, Thomas Q.; Willis, Michael C.","Modular Sulfondiimine Synthesis Using a Stable Sulfinylamine Reagent.","Journal of the American Chemical Society","2019","141","33","13022","13027","10.1021/jacs.9b06831","","","0.71073","MoKα","","0.072","0.0559","","0.138","0.1305","0.1356","","","","","","1.0463","","","","has coordinates","221001","2020-10-21","18:00:00",""
"4127830","10.3058","0.0005","12.4812","0.0006","36.471","0.0019","90","","97.19","0.004","90","","4654.3","0.4","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H33 N3 O4 S2 -","- C19 H33 N3 O4 S2 -","- C152 H264 N24 O32 S16 -","8","2","","Zhang, Ze-Xin; Davies, Thomas Q.; Willis, Michael C.","Modular Sulfondiimine Synthesis Using a Stable Sulfinylamine Reagent.","Journal of the American Chemical Society","2019","141","33","13022","13027","10.1021/jacs.9b06831","","","0.71073","MoKα","","0.1293","0.0875","","0.186","0.1699","0.1784","","","","","","1.0869","","","","has coordinates,has disorder","221002","2020-10-21","18:00:00",""
"4127831","11.0832","0.0004","11.576","0.0004","12.3004","0.0004","104.834","0.003","106.298","0.003","104.704","0.003","1371.07","0.1","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 F N3 O4 S2 -","- C27 H32 F N3 O4 S2 -","- C54 H64 F2 N6 O8 S4 -","2","1","","Zhang, Ze-Xin; Davies, Thomas Q.; Willis, Michael C.","Modular Sulfondiimine Synthesis Using a Stable Sulfinylamine Reagent.","Journal of the American Chemical Society","2019","141","33","13022","13027","10.1021/jacs.9b06831","","","0.71073","MoKα","","0.0657","0.0487","","0.1297","0.1186","0.1297","","","","","","0.9668","","","","has coordinates","221003","2020-10-21","18:00:00",""
"4127832","13.8502","0.0006","13.9872","0.0006","14.9552","0.0006","68.9353","0.0013","84.644","0.0014","62.9903","0.0013","2400.19","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","AFM-I-062A","","","- C24.5 H14 Cl F8 Ir0.5 N2 O2 P0.5 -","- C24.5 H14 Cl F8 Ir0.5 N2 O2 P0.5 -","- C98 H56 Cl4 F32 Ir2 N8 O8 P2 -","4","2","","Morton, Carla M.; Zhu, Qilei; Ripberger, Hunter; Troian-Gautier, Ludovic; Toa, Zi S. D.; Knowles, Robert R.; Alexanian, Erik J.","C-H Alkylation via Multisite-Proton-Coupled Electron Transfer of an Aliphatic C-H Bond.","Journal of the American Chemical Society","2019","141","33","13253","13260","10.1021/jacs.9b06834","","","0.71073","MoKα","","0.0324","0.0263","","","0.0578","0.0601","","","","","","1.092","","","","has coordinates,has disorder","221004","2020-10-21","18:00:00",""
"4127833","37.888","0.002","37.888","0.002","54.616","0.004","90","","90","","120","","67898","7","250","2","250","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- C110 H62 O12 -","- C110 H62 O12 -","- C660 H372 O72 -","6","0.5","","Li, Penghao; Chen, Zhijie; Ryder, Matthew R.; Stern, Charlotte L.; Guo, Qing-Hui; Wang, Xingjie; Farha, Omar K.; Stoddart, J. Fraser","Assembly of a Porous Supramolecular Polyknot from Rigid Trigonal Prismatic Building Blocks.","Journal of the American Chemical Society","2019","141","33","12998","13002","10.1021/jacs.9b06445","","","1.54178","CuKα","","0.0734","0.0376","","","0.1009","0.1319","","","","","","0.641","","","","has coordinates,has disorder","221005","2020-10-21","18:00:00",""
"4127834","32.668","0.002","17.4136","0.0013","37.113","0.003","90","","99.1282","0.0014","90","","20845","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C102 H238 Ag33 O34 P17 Pt2 S34 -","- C102 H238 Ag33 O34 P17 Pt2 S34 -","- C408 H952 Ag132 O136 P68 Pt8 S136 -","4","0.5","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Homoleptic Platinum/Silver Superatoms Protected by Dithiolates: Linear Assemblies of Two and Three Centered Icosahedra Isolobal to Ne<sub>2</sub> and I<sub>3</sub><sup/>.","Journal of the American Chemical Society","2019","141","33","12957","12961","10.1021/jacs.9b05000","","","0.71073","MoKα","","0.0578","0.046","","","0.0993","0.1055","","","","","","1.143","","","","has coordinates","221006","2020-10-21","18:00:00",""
"4127835","19.7461","0.0004","42.9207","0.0009","32.3401","0.0006","90","","96.5225","0.0005","90","","27231.4","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C132 H308 Ag44 O44 P22 Pt3 S44 -","- C132 H308 Ag44 O44 P22 Pt3 S44 -","- C528 H1232 Ag176 O176 P88 Pt12 S176 -","4","1","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Homoleptic Platinum/Silver Superatoms Protected by Dithiolates: Linear Assemblies of Two and Three Centered Icosahedra Isolobal to Ne<sub>2</sub> and I<sub>3</sub><sup/>.","Journal of the American Chemical Society","2019","141","33","12957","12961","10.1021/jacs.9b05000","","","0.71073","MoKα","","0.0447","0.0282","","","0.054","0.0599","","","","","","1.035","","","","has coordinates,has disorder","221007","2020-10-21","18:00:00",""
"4127836","30.0959","0.0009","17.3885","0.0006","29.7671","0.0009","90","","109.472","0.001","90","","14686.8","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H175 Ag20 O24 P12 Pt S24 -","- C75 H175 Ag20 O24 P12 Pt S24 -","- C300 H700 Ag80 O96 P48 Pt4 S96 -","4","1","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Homoleptic Platinum/Silver Superatoms Protected by Dithiolates: Linear Assemblies of Two and Three Centered Icosahedra Isolobal to Ne<sub>2</sub> and I<sub>3</sub><sup/>.","Journal of the American Chemical Society","2019","141","33","12957","12961","10.1021/jacs.9b05000","","","0.71073","MoKα","","0.0735","0.0409","","","0.0796","0.0937","","","","","","1.023","","","","has coordinates,has disorder","221008","2020-10-21","18:00:00",""
"4127837","10.9617","0.0003","13.0994","0.0004","12.8416","0.0004","90","","91.757","0.001","90","","1843.08","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H70 Tb -","- C40 H70 Tb -","- C80 H140 Tb2 -","2","0.5","","Gould, Colin A.; McClain, K. Randall; Yu, Jason M.; Groshens, Thomas J.; Furche, Filipp; Harvey, Benjamin G.; Long, Jeffrey R.","Synthesis and Magnetism of Neutral, Linear Metallocene Complexes of Terbium(II) and Dysprosium(II).","Journal of the American Chemical Society","2019","141","33","12967","12973","10.1021/jacs.9b05816","","","0.71073","MoKα","","0.0349","0.0299","","","0.074","0.0796","","","","","","1.077","","","","has coordinates","221009","2020-10-21","18:00:00",""
"4127838","15.2155","0.0006","23.1873","0.0009","16.8829","0.0007","90","","90.943","0.001","90","","5955.6","0.4","100","2","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H70 B F20 Tb -","- C64 H70 B F20 Tb -","- C256 H280 B4 F80 Tb4 -","4","1","","Gould, Colin A.; McClain, K. Randall; Yu, Jason M.; Groshens, Thomas J.; Furche, Filipp; Harvey, Benjamin G.; Long, Jeffrey R.","Synthesis and Magnetism of Neutral, Linear Metallocene Complexes of Terbium(II) and Dysprosium(II).","Journal of the American Chemical Society","2019","141","33","12967","12973","10.1021/jacs.9b05816","","","0.71073","MoKα","","0.0716","0.0563","","","0.1506","0.1632","","","","","","1.018","","","","has coordinates,has disorder","221010","2020-10-21","18:00:00",""
"4127839","11.02","0.0005","13.0196","0.0006","12.8467","0.0008","90","","91.917","0.005","90","","1842.16","0.17","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H70 Dy -","- C40 H70 Dy -","- C80 H140 Dy2 -","2","0.5","","Gould, Colin A.; McClain, K. Randall; Yu, Jason M.; Groshens, Thomas J.; Furche, Filipp; Harvey, Benjamin G.; Long, Jeffrey R.","Synthesis and Magnetism of Neutral, Linear Metallocene Complexes of Terbium(II) and Dysprosium(II).","Journal of the American Chemical Society","2019","141","33","12967","12973","10.1021/jacs.9b05816","","","0.71073","MoKα","","0.061","0.0522","","","0.1164","0.1216","","","","","","1.077","","","","has coordinates","221011","2020-10-21","18:00:00",""
"4127840","14.4891","0.0001","18.8696","0.0002","8.5264","0.0001","90","","90","","90","","2331.15","0.04","85","2","85","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C25 H18 B D6 F N8 Ni -","- C25 H18 B D6 F N8 Ni -","- C100 H72 B4 D24 F4 N32 Ni4 -","4","0.5","","Meucci, Elizabeth A.; Ariafard, Alireza; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.","Aryl-Fluoride Bond-Forming Reductive Elimination from Nickel(IV) Centers.","Journal of the American Chemical Society","2019","141","33","13261","13267","10.1021/jacs.9b06896","","","1.54184","CuKα","","0.0304","0.0303","","","0.0761","0.0762","","","","","","1.104","","","","has coordinates","221012","2020-10-21","18:00:00",""
"4127841","9.2604","0.0005","9.8874","0.0007","22.7259","0.0012","83.059","0.005","84.064","0.004","89.979","0.005","2054.3","0.2","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 Ni O -","- C26 H24 N2 Ni O -","- C104 H96 N8 Ni4 O4 -","4","2","","Meucci, Elizabeth A.; Ariafard, Alireza; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.","Aryl-Fluoride Bond-Forming Reductive Elimination from Nickel(IV) Centers.","Journal of the American Chemical Society","2019","141","33","13261","13267","10.1021/jacs.9b06896","","","1.54178","CuKα","","0.0612","0.0467","","","0.1211","0.1257","","","","","","1.041","","","","has coordinates","221012","2020-10-21","18:00:00",""
"4127842","13.45292","0.0001","17.12816","0.00013","23.425","0.0002","90","","90","","90","","5397.68","0.07","180","0.1","180","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H44 Cr F18 N6 O3 P3 -","- C52 H44 Cr F18 N6 O3 P3 -","- C208 H176 Cr4 F72 N24 O12 P12 -","4","1","","Jiménez, Juan-Ramón; Doistau, Benjamin; Cruz, Carlos M.; Besnard, Céline; Cuerva, Juan M.; Campaña, Araceli G; Piguet, Claude","Chiral Molecular Ruby [Cr(dqp)<sub>2</sub>]<sup>3+</sup> with Long-Lived Circularly Polarized Luminescence.","Journal of the American Chemical Society","2019","141","33","13244","13252","10.1021/jacs.9b06524","","x-ray","1.54184","CuKα","","0.0363","0.0356","","","0.0915","0.0924","","","","","","1.028","","","","has coordinates,has disorder","221013","2020-10-21","18:00:00",""
"4127843","11.1216","0.0004","13.142","0.0004","17.3331","0.0007","86.51","0.003","80.088","0.003","84.768","0.003","2482.56","0.16","180","2","180.15","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H33 Cr F9 N7 O9 S3 -","- C51 H33 Cr F9 N7 O9 S3 -","- C102 H66 Cr2 F18 N14 O18 S6 -","2","1","","Jiménez, Juan-Ramón; Doistau, Benjamin; Cruz, Carlos M.; Besnard, Céline; Cuerva, Juan M.; Campaña, Araceli G; Piguet, Claude","Chiral Molecular Ruby [Cr(dqp)<sub>2</sub>]<sup>3+</sup> with Long-Lived Circularly Polarized Luminescence.","Journal of the American Chemical Society","2019","141","33","13244","13252","10.1021/jacs.9b06524","","","1.54184","CuKα","","0.0371","0.035","","","0.094","0.0962","","","","","","1.0434","","","","has coordinates","221014","2020-10-21","18:00:00",""
"4127844","18.123","0.0008","18.123","0.0008","11.2238","0.0007","90","","90","","120","","3192.5","0.3","298","","298","","","","","","","","","5","P 32","P 32","145","","","MUV-11","- C28.21 H25.82 N7.4 O13.4 Ti2 -","- C28.209 H25.821 N7.403 O13.403 Ti2 -","- C84.627 H77.4629 N22.209 O40.209 Ti6 -","3","1","","Padial, Natalia M.; Castells-Gil, Javier; Almora-Barrios, Neyvis; Romero-Angel, María; da Silva, Iván; Barawi, Mariam; García-Sánchez, Alba; de la Peña O'Shea, Víctor A; Martí-Gastaldo, Carlos","Hydroxamate Titanium-Organic Frameworks and the Effect of Siderophore-Type Linkers over Their Photocatalytic Activity.","Journal of the American Chemical Society","2019","141","33","13124","13133","10.1021/jacs.9b04915","powder diffraction","","0.41307","synchrotron","","0.426454","","","","","","","","1.27354","","","","","","","has coordinates","221015","2020-10-21","18:00:00",""
"4127845","8.4379","0.0004","11.3975","0.0005","28.3831","0.0013","90","","90","","90","","2729.6","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 N O4 S -","- C32 H41 N O4 S -","- C128 H164 N4 O16 S4 -","4","1","","Guo, Lian-Dong; Hu, Jingping; Zhang, Yan; Tu, Wentong; Zhang, Yue; Pu, Fan; Xu, Jing","Enantioselective Total Synthesis of (-)-Caldaphnidine O via a Radical Cyclization Cascade.","Journal of the American Chemical Society","2019","141","33","13043","13048","10.1021/jacs.9b07558","","x-ray","0.71073","MoKα","","0.0378","0.0329","","","0.0749","0.0768","","","","","","1.044","","","","has coordinates","221016","2020-10-21","18:00:00",""
"4127846","9.5539","0.0004","12.1097","0.0005","12.261","0.0005","96.913","0.001","94.194","0.001","99.17","0.001","1384.04","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H41 N O4 S -","- C32 H41 N O4 S -","- C64 H82 N2 O8 S2 -","2","1","","Guo, Lian-Dong; Hu, Jingping; Zhang, Yan; Tu, Wentong; Zhang, Yue; Pu, Fan; Xu, Jing","Enantioselective Total Synthesis of (-)-Caldaphnidine O via a Radical Cyclization Cascade.","Journal of the American Chemical Society","2019","141","33","13043","13048","10.1021/jacs.9b07558","","x-ray","0.71073","MoKα","","0.0477","0.0375","","","0.0918","0.0982","","","","","","1.028","","","","has coordinates","221017","2020-10-21","18:00:00",""
"4127847","21.4691","0.0005","21.4691","0.0005","6.848","0.0002","90","","90","","120","","2733.52","0.12","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(2-ampd)1.76(C7H8)0.79","","","- C30.09 H36.96 N3.52 O6 Zn2 -","- C30.069 H39.297 N3.76 O6 Zn2 -","- C90.207 H117.891 N11.28 O18 Zn6 -","3","0.5","","Siegelman, Rebecca L.; Milner, Phillip J.; Forse, Alexander C.; Lee, Jung-Hoon; Colwell, Kristen A.; Neaton, Jeffrey B.; Reimer, Jeffrey A.; Weston, Simon C.; Long, Jeffrey R.","Water Enables Efficient CO<sub>2</sub> Capture from Natural Gas Flue Emissions in an Oxidation-Resistant Diamine-Appended Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","33","13171","13186","10.1021/jacs.9b05567","","","0.7288","synchrotron","","0.0474","0.0371","","","0.0915","0.0973","","","","","","1.061","","","","has coordinates,has disorder","221018","2020-10-21","18:00:00",""
"4127848","5.0969","0.0003","18.5652","0.0011","8.4393","0.0005","90","","102.214","0.004","90","","780.49","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-ampd-CO2","","","- C7 H14 N2 O2 -","- C7 H14 N2 O2 -","- C28 H56 N8 O8 -","4","1","","Siegelman, Rebecca L.; Milner, Phillip J.; Forse, Alexander C.; Lee, Jung-Hoon; Colwell, Kristen A.; Neaton, Jeffrey B.; Reimer, Jeffrey A.; Weston, Simon C.; Long, Jeffrey R.","Water Enables Efficient CO<sub>2</sub> Capture from Natural Gas Flue Emissions in an Oxidation-Resistant Diamine-Appended Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","33","13171","13186","10.1021/jacs.9b05567","","","0.7288","synchrotron","","0.0643","0.0522","","","0.1291","0.1362","","","","","","1.127","","","","has coordinates","221019","2020-10-21","18:00:00",""
"4127849","6.30661","0.00005","8.76884","0.00007","31.4352","0.0002","90","","90","","90","","1738.42","0.02","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 F N2 O S -","- C20 H19 F N2 O S -","- C80 H76 F4 N8 O4 S4 -","4","1","","He, Zhi-Tao; Jiang, Xingyu; Hartwig, John F.","Stereodivergent Construction of Tertiary Fluorides in Vicinal Stereogenic Pairs by Allylic Substitution with Iridium and Copper Catalysts.","Journal of the American Chemical Society","2019","141","33","13066","13073","10.1021/jacs.9b04440","","x-ray","1.54184","CuKα","","0.0279","0.0275","","","0.0672","0.0675","","","","","","1.051","","","","has coordinates,has disorder","221020","2020-10-21","18:00:00",""
"4127850","13.63616","0.00009","8.38855","0.00005","15.53968","0.0001","90","","107.817","0.0007","90","","1692.3","0.02","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H16 F N O2 S -","- C19 H16 F N O2 S -","- C76 H64 F4 N4 O8 S4 -","4","2","","He, Zhi-Tao; Jiang, Xingyu; Hartwig, John F.","Stereodivergent Construction of Tertiary Fluorides in Vicinal Stereogenic Pairs by Allylic Substitution with Iridium and Copper Catalysts.","Journal of the American Chemical Society","2019","141","33","13066","13073","10.1021/jacs.9b04440","","","1.54184","CuKα","","0.0254","0.0252","","","0.0665","0.0666","","","","","","1.046","","","","has coordinates","221021","2020-10-21","18:00:00",""
"4127851","16.025","0.0006","26.0513","0.0008","32.5801","0.0011","90","","102.513","0.004","90","","13278.2","0.8","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H134 F2 Fe K2 O16 S2 -","- C88 H134 F2 Fe K2 O16 S2 -","- C352 H536 F8 Fe4 K8 O64 S8 -","4","1","","Speelman, Amy L.; Čorić, Ilija; Van Stappen, Casey; DeBeer, Serena; Mercado, Brandon Q.; Holland, Patrick L.","Nitrogenase-Relevant Reactivity of a Synthetic Iron-Sulfur-Carbon Site.","Journal of the American Chemical Society","2019","141","33","13148","13157","10.1021/jacs.9b05353","","","0.71073","MoKα","","0.0963","0.0602","","","0.1513","0.1696","","","","","","1.036","","","","has coordinates,has disorder","221022","2020-10-21","18:00:00",""
"4127852","6.072","0.0006","6.072","0.0006","3.469","0.0003","90","","90","","120","","110.764","0.018","100","","100","","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- B4.27 K O3 -","- B4.27 K O3 -","- B4.27 K O3 -","1","0.0833333","","Kambe, Tetsuya; Hosono, Reina; Imaoka, Shotaro; Kuzume, Akiyoshi; Yamamoto, Kimihisa","Solution Phase Mass Synthesis of 2D Atomic Layer with Hexagonal Boron Network.","Journal of the American Chemical Society","2019","141","33","12984","12988","10.1021/jacs.9b06110","","","1.54184","CuKα","","0.0992","0.0992","","","0.2218","0.2218","","","","","","1.323","","","","has coordinates,has disorder","221023","2020-10-21","18:00:00",""
"4127853","20.0504","0.001","23.9374","0.001","38.7986","0.0018","90","","92.015","0.003","90","","18610","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C80","N,N',N'',N''',N''''-pentakis(2,6-diisopropylphenyl)pentanaphtho [3,4,4a,5,6-bcde:3,4,4a,5,6-ghij:3,4,4a,5,6-lmno:3,4,4a,5,6- qrst:3,4,4a,5,6-vwxy]circumcorannulene-4,5:8,9:1,20:12,13:16,17- pentakis(dicarboximide)","","- C140 H95 N5 O10 -","- C140 H95 N5 O10 -","- C560 H380 N20 O40 -","4","1","","Shoyama, Kazutaka; Würthner, Frank","Synthesis of a Carbon Nanocone by Cascade Annulation.","Journal of the American Chemical Society","2019","141","33","13008","13012","10.1021/jacs.9b06617","","","1.54178","CuKα","","0.1228","0.0857","","","0.2454","0.2709","","","","","","0.971","","","","has coordinates,has disorder","221024","2020-10-21","18:00:00",""
"4127854","20.0998","0.0009","23.9062","0.001","38.7241","0.0016","90","","91.72","0.002","90","","18598.9","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C80","N,N',N'',N''',N'''-pentakis(2,6-diisopropylphenyl)pentanaphtho [3,4,4a,5,6-bcde:3,4,4a,5,6-ghij:3,4,4a,5,6-lmno:3,4,4a,5,6- qrst:3,4,4a,5,6-vwxy]circumcorannulene-4,5:8,9:1,20:12,13:16,17- pentakis(dicarboximide)","","- C140 H95 N5 O10 -","- C140 H95 N5 O10 -","- C560 H380 N20 O40 -","4","1","","Shoyama, Kazutaka; Würthner, Frank","Synthesis of a Carbon Nanocone by Cascade Annulation.","Journal of the American Chemical Society","2019","141","33","13008","13012","10.1021/jacs.9b06617","","","1.54184","CuKα","","0.1199","0.1007","","","0.3224","0.3459","","","","","","1.31","","","","has coordinates,has disorder","221025","2020-10-21","18:00:00",""
"4127855","11.2241","0.0007","9.8503","0.0006","22.2709","0.0015","90","","103.062","0.002","90","","2398.6","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H84 Al2 Fe2 N6 P4 -","- C38 H84 Al2 Fe2 N6 P4 -","- C76 H168 Al4 Fe4 N12 P8 -","2","0.5","","Gorgas, Nikolaus; Brünig, Julian; Stöger, Berthold; Vanicek, Stefan; Tilset, Mats; Veiros, Luis F.; Kirchner, Karl","Efficient <i>Z</i>-Selective Semihydrogenation of Internal Alkynes Catalyzed by Cationic Iron(II) Hydride Complexes.","Journal of the American Chemical Society","2019","141","43","17452","17458","10.1021/jacs.9b09907","","","0.71073","MoKα","","0.0406","0.0289","","","0.065","0.0696","","","","","","1.034","","","","has coordinates","221026","2020-10-21","18:00:00",""
"4127856","8.8912","0.0004","10.7973","0.0005","17.3448","0.0008","85.1139","0.0009","81.5333","0.0009","85.7835","0.001","1637.84","0.13","200","2","200","2","","","","","","","","8","P -1","-P 1","2","1a in manuscript","","","- C32 H23 Au F6 N3 O4 P S2 -","- C32 H23 Au F6 N3 O4 P S2 -","- C64 H46 Au2 F12 N6 O8 P2 S4 -","2","1","","Yang, Yangyang; Eberle, Lukas; Mulks, Florian F.; Wunsch, Jonas F.; Zimmer, Marc; Rominger, Frank; Rudolph, Matthias; Hashmi, A Stephen K","Trans Influence of Ligands on the Oxidation of Gold(I) Complexes.","Journal of the American Chemical Society","2019","141","43","17414","17420","10.1021/jacs.9b09363","","","0.71073","MoKα","","0.0385","0.0288","","","0.0584","0.0619","","","","","","1.024","","","","has coordinates,has disorder","221027","2020-10-21","18:00:00",""
"4127857","11.1523","0.0005","13.0973","0.0005","14.0183","0.0006","102.786","0.0007","96.5595","0.0007","108.893","0.0007","1850.49","0.14","200","2","200","2","","","","","","","","9","P -1","-P 1","2","1e in manuscript","","","- C32.5 H42 Au Cl F6 N3 O4 P S2 -","- C32.5 H42 Au Cl F6 N3 O4 P S2 -","- C65 H84 Au2 Cl2 F12 N6 O8 P2 S4 -","2","1","","Yang, Yangyang; Eberle, Lukas; Mulks, Florian F.; Wunsch, Jonas F.; Zimmer, Marc; Rominger, Frank; Rudolph, Matthias; Hashmi, A Stephen K","Trans Influence of Ligands on the Oxidation of Gold(I) Complexes.","Journal of the American Chemical Society","2019","141","43","17414","17420","10.1021/jacs.9b09363","","","0.71073","MoKα","","0.0276","0.0233","","","0.0516","0.0531","","","","","","1.031","","","","has coordinates,has disorder","221027","2020-10-21","18:00:00",""
"4127858","9.1615","0.0007","14.317","0.0012","14.4405","0.0012","83.4496","0.0013","89.4637","0.0012","71.5878","0.0012","1784.7","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","1d in manuscript","","","- C32 H8 Au F21 N3 O4 P S2 -","- C32 H8 Au F21 N3 O4 P S2 -","- C64 H16 Au2 F42 N6 O8 P2 S4 -","2","1","","Yang, Yangyang; Eberle, Lukas; Mulks, Florian F.; Wunsch, Jonas F.; Zimmer, Marc; Rominger, Frank; Rudolph, Matthias; Hashmi, A Stephen K","Trans Influence of Ligands on the Oxidation of Gold(I) Complexes.","Journal of the American Chemical Society","2019","141","43","17414","17420","10.1021/jacs.9b09363","","","0.71073","MoKα","","0.0611","0.0383","","","0.07","0.0773","","","","","","1.024","","","","has coordinates,has disorder","221027","2020-10-21","18:00:00",""
"4127859","11.2674","0.0005","12.9976","0.0005","22.3812","0.0011","90","","91.927","0.002","90","","3275.9","0.3","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H91 Cl O12 -","- C73 H91 Cl O12 -","- C146 H182 Cl2 O24 -","2","0.5","","Wang, Mengbin; Zhou, Jiong; Li, Errui; Zhou, Yujuan; Li, Qing; Huang, Feihe","Separation of Monochlorotoluene Isomers by Nonporous Adaptive Crystals of Perethylated Pillar[5]arene and Pillar[6]arene.","Journal of the American Chemical Society","2019","141","43","17102","17106","10.1021/jacs.9b09988","","","0.71073","MoKα","","0.0876","0.0622","","","0.1624","0.1852","","","","","","1.049","","","","has coordinates,has disorder","221028","2020-10-21","18:00:00",""
"4127860","11.6711","0.0004","21.551","0.0006","23.8501","0.0008","90","","95.321","0.001","90","","5973","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C131 H164 Cl3 O20 -","- C131 H164 Cl3 O20 -","- C262 H328 Cl6 O40 -","2","0.5","","Wang, Mengbin; Zhou, Jiong; Li, Errui; Zhou, Yujuan; Li, Qing; Huang, Feihe","Separation of Monochlorotoluene Isomers by Nonporous Adaptive Crystals of Perethylated Pillar[5]arene and Pillar[6]arene.","Journal of the American Chemical Society","2019","141","43","17102","17106","10.1021/jacs.9b09988","","","0.71073","MoKα","","0.0944","0.0672","","","0.1723","0.1885","","","","","","1.075","","","","has coordinates","221029","2020-10-21","18:00:00",""
"4127861","11.607","0.003","12.917","0.003","22.363","0.005","90","","91.31","0.008","90","","3352","1.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H92 Cl O12 -","- C73 H92 Cl O12 -","- C146 H184 Cl2 O24 -","2","0.5","","Wang, Mengbin; Zhou, Jiong; Li, Errui; Zhou, Yujuan; Li, Qing; Huang, Feihe","Separation of Monochlorotoluene Isomers by Nonporous Adaptive Crystals of Perethylated Pillar[5]arene and Pillar[6]arene.","Journal of the American Chemical Society","2019","141","43","17102","17106","10.1021/jacs.9b09988","","","0.71073","MoKα","","0.1492","0.0723","","","0.1851","0.2287","","","","","","1.017","","","","has coordinates","221030","2020-10-21","18:00:00",""
"4127862","11.8197","0.0018","31.293","0.005","13.219","0.002","90","","113.124","0.002","90","","4496.5","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Cl N2 O P Ru -","- C48 H66 Cl N2 O P Ru -","- C192 H264 Cl4 N8 O4 P4 Ru4 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.063","0.0528","","","0.1068","0.1105","","","","","","1.144","","","","has coordinates,has disorder","221031","2020-10-21","18:00:00",""
"4127863","12.1661","0.0018","31.114","0.005","13.1588","0.0019","90","","112.777","0.002","90","","4592.6","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Cl N2 O3 P Ru -","- C48 H66 Cl N2 O3 P Ru -","- C192 H264 Cl4 N8 O12 P4 Ru4 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0614","0.0512","","","0.1074","0.1115","","","","","","1.108","","","","has coordinates,has disorder","221031","2020-10-21","18:00:00",""
"4127864","12.713","0.0011","15.2477","0.0013","25.438","0.002","90","","90.415","0.001","90","","4930.9","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H78 Cl N2 O P Ru -","- C54 H78 Cl N2 O P Ru -","- C216 H312 Cl4 N8 O4 P4 Ru4 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0492","0.0376","","","0.0827","0.0883","","","","","","1.013","","","","has coordinates","221031","2020-10-21","18:00:00",""
"4127865","6.0959","0.0007","16.8166","0.0018","21.65","0.002","90","","90","","90","","2219.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 B2 N4 -","- C28 H22 B2 N4 -","- C112 H88 B8 N16 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0453","0.0375","","","0.083","0.0874","","","","","","1.065","","","","has coordinates","221031","2020-10-21","18:00:00",""
"4127866","8.6383","0.0007","13.5782","0.0012","26.556","0.002","90","","90","","90","","3114.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 B N2 O -","- C19 H17 B N2 O -","- C152 H136 B8 N16 O8 -","8","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0448","0.0365","","","0.0929","0.0987","","","","","","1.034","","","","has coordinates","221031","2020-10-21","18:00:00",""
"4127867","7.4717","0.0008","12.2883","0.0013","19.718","0.002","90","","90","","90","","1810.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 B N2 -","- C24 H19 B N2 -","- C96 H76 B4 N8 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0429","0.037","","","0.0781","0.0812","","","","","","1.051","","","","has coordinates","221031","2020-10-21","18:00:00",""
"4127868","9.1502","0.0007","14.1459","0.0011","19.8419","0.0015","93.566","0.001","99.448","0.001","107.108","0.001","2404.7","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H70 B Cl N4 O P Ru -","- C53 H70 B Cl N4 O P Ru -","- C106 H140 B2 Cl2 N8 O2 P2 Ru2 -","2","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0329","0.0281","","","0.0645","0.0669","","","","","","1.027","","","","has coordinates,has disorder","221031","2020-10-21","18:00:00",""
"4127869","21.4308","0.0005","16.6188","0.0004","15.7436","0.0004","90","","109.082","0.002","90","","5299","0.2","140","0.1","140","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H74 Cl N6 -","- C56 H74 Cl N6 -","- C224 H296 Cl4 N24 -","4","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.0737","0.0582","","","0.1729","0.1841","","","","","","1.065","","","","has coordinates,has disorder","221032","2020-10-21","18:00:00",""
"4127870","12.2031","0.0004","16.0891","0.0005","19.0062","0.0005","105.338","0.002","96.22","0.003","107.663","0.003","3356.1","0.2","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H74 I N6 -","- C56 H74 I N6 -","- C112 H148 I2 N12 -","2","1","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","0.71073","MoKα","","0.0854","0.0525","","","0.119","0.1321","","","","","","1.025","","","","has coordinates","221033","2020-10-21","18:00:00",""
"4127871","11.9866","0.0004","12.3158","0.0005","12.5454","0.0005","70.545","0.003","88.449","0.003","61.047","0.004","1507.67","0.13","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H74 F6 N7 O4 S2 -","- C58 H74 F6 N7 O4 S2 -","- C58 H74 F6 N7 O4 S2 -","1","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.0414","0.038","","","0.1","0.1028","","","","","","1.031","","","","has coordinates,has disorder","221034","2020-10-21","18:00:00",""
"4127872","12.0287","0.0006","12.3634","0.0006","12.9443","0.0007","69.42","0.005","63.201","0.005","84.213","0.004","1604.77","0.17","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H74 Br6 N6 -","- C56 H74 Br6 N6 -","- C56 H74 Br6 N6 -","1","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.0326","0.0279","","","0.0744","0.0776","","","","","","1.066","","","","has coordinates","221035","2020-10-21","18:00:00",""
"4127873","7.56119","0.00015","11.3903","0.0002","20.3054","0.0005","90","","91.984","0.002","90","","1747.74","0.06","140","0.1","140","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N6 -","- C40 H42 N6 -","- C80 H84 N12 -","2","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.042","0.0355","","","0.0933","0.0987","","","","","","1.019","","","","has coordinates","221036","2020-10-21","18:00:00",""
"4127874","21.6261","0.0004","16.5623","0.0003","15.8057","0.0003","90","","109.832","0.002","90","","5325.49","0.18","140","0.1","140","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H74 Br N6 -","- C56 H74 Br N6 -","- C224 H296 Br4 N24 -","4","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.0401","0.0358","","","0.0935","0.0972","","","","","","1.043","","","","has coordinates","221037","2020-10-21","18:00:00",""
"4127875","10.6944","0.0006","11.7002","0.0006","12.5558","0.0006","90.074","0.004","113.25","0.005","113.203","0.005","1303.65","0.15","140","0.1","140","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C56 H74 N6 -","- C56 H74 N6 -","- C56 H74 N6 -","1","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","0.71073","MoKα","","0.0823","0.0578","","","0.1384","0.1558","","","","","","1.026","","","","has coordinates","221038","2020-10-21","18:00:00",""
"4127876","12.2645","0.0007","16.6638","0.0008","17.0136","0.0006","75.75","0.004","79.343","0.004","89.726","0.004","3309","0.3","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C59.1 H79.2 Cl7.2 N6 O -","- C59.099 H79.198 Cl7.198 N6 O -","- C118.198 H158.396 Cl14.396 N12 O2 -","2","1","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.1021","0.0797","","","0.233","0.2596","","","","","","1.027","","","","has coordinates,has disorder","221039","2020-10-21","18:00:00",""
"4127877","13.8448","0.0012","16.4625","0.0014","17.3541","0.0012","93.264","0.002","112.887","0.002","110.651","0.002","3322.3","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H54 N O4 Rh -","- C34 H54 N O4 Rh -","- C136 H216 N4 O16 Rh4 -","4","2","","Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz","Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV).","Journal of the American Chemical Society","2019","141","43","17198","17206","10.1021/jacs.9b07763","","","0.71073","MoKα","","0.044","0.0367","","","0.0921","0.0973","","","","","","1.038","","","","has coordinates,has disorder","221040","2020-10-21","18:00:00",""
"4127878","10.8366","0.0009","7.2939","0.0005","18.1455","0.0014","90","","103.068","0.003","90","","1397.1","0.19","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz","Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV).","Journal of the American Chemical Society","2019","141","43","17198","17206","10.1021/jacs.9b07763","","","0.71073","MoKα","","0.038","0.0361","","","0.1025","0.1044","","","","","","1.044","","","","has coordinates","221041","2020-10-21","18:00:00",""
"4127879","12.3525","0.0004","10.3586","0.0004","14.6863","0.0005","90","","90.724","0.001","90","","1879.03","0.11","100","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N O3 Rh -","- C20 H26 N O3 Rh -","- C80 H104 N4 O12 Rh4 -","4","1","","Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz","Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV).","Journal of the American Chemical Society","2019","141","43","17198","17206","10.1021/jacs.9b07763","","","0.71073","MoKα","","0.0173","0.017","","","0.0437","0.0438","","","","","","1.113","","","","has coordinates,has disorder","221042","2020-10-21","18:00:00",""
"4127880","9.106","0.0007","9.2582","0.0008","10.3645","0.0009","98.353","0.003","93.614","0.004","116.367","0.002","766.51","0.11","99.98","","99.98","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz","Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV).","Journal of the American Chemical Society","2019","141","43","17198","17206","10.1021/jacs.9b07763","","","0.71073","MoKα","","0.0422","0.0394","","","0.1069","0.1084","","","","","","1.039","","","","has coordinates","221043","2020-10-21","18:00:00",""
"4127881","10.1827","0.0005","14.0724","0.0009","14.7798","0.001","62.265","0.002","71.938","0.002","84.034","0.002","1780.12","0.19","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Cl N O Rh -","- C18 H23 Cl N O Rh -","- C72 H92 Cl4 N4 O4 Rh4 -","4","2","","Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz","Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV).","Journal of the American Chemical Society","2019","141","43","17198","17206","10.1021/jacs.9b07763","","","0.71073","MoKα","","0.0159","0.0156","","","0.0427","0.0429","","","","","","1.048","","","","has coordinates","221044","2020-10-21","18:00:00",""
"4127882","4.4704","0.0006","4.4704","0.0006","9.634","0.0017","90","","90","","90","","192.53","0.05","293","","293","","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Ba F Mn0.5 Te -","- Ba F Mn0.5 Te -","- Ba2 F2 Mn Te2 -","2","0.125","","Chen, Haijie; McClain, Rebecca; He, Jiangang; Zhang, Chi; Olding, Jack N.; Dos Reis, Roberto; Bao, Jin-Ke; Hadar, Ido; Spanopoulos, Ioannis; Malliakas, Christos D.; He, Yihui; Chung, Duck Young; Kwok, Wai-Kwong; Weiss, Emily A.; Dravid, Vinayak P.; Wolverton, Christopher; Kanatzidis, Mercouri G.","Antiferromagnetic Semiconductor BaFMn<sub>0.5</sub>Te with Unique Mn Ordering and Red Photoluminescence.","Journal of the American Chemical Society","2019","141","43","17421","17430","10.1021/jacs.9b09382","","x-ray","0.71073","MoKα","","0.0484","0.0468","","","0.1366","0.1368","","","","5.87","5.87","5.61","","","","has coordinates","221045","2020-10-21","18:00:00",""
"4127883","6.3205","0.0012","6.3233","0.001","9.6379","0.0017","90","","90","","90","","385.19","0.12","293","","293","","","","","","","","","4","C m m a","-C 2a 2","67","","","","- Ba F Mn0.5 Te -","- Ba F Mn0.5 Te -","- Ba4 F4 Mn2 Te4 -","4","0.25","","Chen, Haijie; McClain, Rebecca; He, Jiangang; Zhang, Chi; Olding, Jack N.; Dos Reis, Roberto; Bao, Jin-Ke; Hadar, Ido; Spanopoulos, Ioannis; Malliakas, Christos D.; He, Yihui; Chung, Duck Young; Kwok, Wai-Kwong; Weiss, Emily A.; Dravid, Vinayak P.; Wolverton, Christopher; Kanatzidis, Mercouri G.","Antiferromagnetic Semiconductor BaFMn<sub>0.5</sub>Te with Unique Mn Ordering and Red Photoluminescence.","Journal of the American Chemical Society","2019","141","43","17421","17430","10.1021/jacs.9b09382","","x-ray","0.71073","MoKα","","0.077","0.0614","","","0.1689","0.1728","","","","5.36","5.36","4.67","","","","has coordinates","221046","2020-10-21","18:00:00",""
"4127884","9.0147","0.0003","17.1183","0.0005","8.4172","0.0003","90","","99.812","0.001","90","","1279.91","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NB11-3","","","- C14 H10 Br2 N2 -","- C14 H10 Br2 N2 -","- C56 H40 Br8 N8 -","4","1","","Maier, Martin S.; Hüll, Katharina; Reynders, Martin; Matsuura, Bryan S.; Leippe, Philipp; Ko, Tongil; Schäffer, Lukas; Trauner, Dirk","Oxidative Approach Enables Efficient Access to Cyclic Azobenzenes.","Journal of the American Chemical Society","2019","141","43","17295","17304","10.1021/jacs.9b08794","","","0.71073","MoKα","","0.0328","0.0235","","","0.046","0.0488","","","","","","1.034","","","","has coordinates","221047","2020-10-21","18:00:00",""
"4127885","10.3683","0.0001","9.1163","0.0001","19.1021","0.0002","90","","90.706","0.001","90","","1805.4","0.03","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N3 Ni O -","- C22 H17 N3 Ni O -","- C88 H68 N12 Ni4 O4 -","4","1","","Roy, Pronay; Bour, James R.; Kampf, Jeff W.; Sanford, Melanie S.","Catalytically Relevant Intermediates in the Ni-Catalyzed C(sp<sup>2</sup>)-H and C(sp<sup>3</sup>)-H Functionalization of Aminoquinoline Substrates.","Journal of the American Chemical Society","2019","141","43","17382","17387","10.1021/jacs.9b09109","","","1.54178","CuKα","","0.0313","0.0309","","","0.0874","0.0879","","","","","","1.008","","","","has coordinates","221048","2020-10-21","18:00:00",""
"4127886","8.4096","0.0003","11.3752","0.0004","11.9729","0.0004","95.466","0.003","107.282","0.003","92.626","0.003","1085.34","0.07","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 F3 N3 Ni O3 -","- C24 H17 F3 N3 Ni O3 -","- C48 H34 F6 N6 Ni2 O6 -","2","1","","Roy, Pronay; Bour, James R.; Kampf, Jeff W.; Sanford, Melanie S.","Catalytically Relevant Intermediates in the Ni-Catalyzed C(sp<sup>2</sup>)-H and C(sp<sup>3</sup>)-H Functionalization of Aminoquinoline Substrates.","Journal of the American Chemical Society","2019","141","43","17382","17387","10.1021/jacs.9b09109","","","1.54184","CuKα","","0.0404","0.0385","","","0.1058","0.1081","","","","","","1.044","","","","has coordinates","221048","2020-10-21","18:00:00",""
"4127887","9.9239","0.0003","10.4834","0.0003","17.205","0.0004","95.269","0.002","90.932","0.002","93.893","0.002","1777.81","0.09","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N3 Ni O -","- C20 H21 N3 Ni O -","- C80 H84 N12 Ni4 O4 -","4","2","","Roy, Pronay; Bour, James R.; Kampf, Jeff W.; Sanford, Melanie S.","Catalytically Relevant Intermediates in the Ni-Catalyzed C(sp<sup>2</sup>)-H and C(sp<sup>3</sup>)-H Functionalization of Aminoquinoline Substrates.","Journal of the American Chemical Society","2019","141","43","17382","17387","10.1021/jacs.9b09109","","","1.54184","CuKα","","0.0385","0.0373","","","0.1018","0.1041","","","","","","1.014","","","","has coordinates","221048","2020-10-21","18:00:00",""
"4127888","9.5689","0.0002","17.9404","0.0003","13.1615","0.0003","90","","101.756","0.002","90","","2212.04","0.08","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 F3 N3 Ni O4 S -","- C21 H21 F3 N3 Ni O4 S -","- C84 H84 F12 N12 Ni4 O16 S4 -","4","1","","Roy, Pronay; Bour, James R.; Kampf, Jeff W.; Sanford, Melanie S.","Catalytically Relevant Intermediates in the Ni-Catalyzed C(sp<sup>2</sup>)-H and C(sp<sup>3</sup>)-H Functionalization of Aminoquinoline Substrates.","Journal of the American Chemical Society","2019","141","43","17382","17387","10.1021/jacs.9b09109","","","1.54184","CuKα","","0.0435","0.0407","","","0.1111","0.1159","","","","","","1.096","","","","has coordinates","221048","2020-10-21","18:00:00",""
"4127889","32.0583","0.0008","32.0583","0.0008","11.503","0.0003","90","","90","","120","","10238.2","0.4","130","2","130","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C33.1 H51.9 N3.7 O15.7 S2 Zn4 -","- C28 H26 N2 O12 S2 Zn4 -","- C252 H234 N18 O108 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","x-ray","0.71073","MoKα","","0.0345","0.0267","","","0.0711","0.074","","","","","","1.061","","","","has coordinates,has disorder","221049","2020-10-21","18:00:00",""
"4127890","31.7477","0.0014","31.7477","0.0014","11.6653","0.0007","90","","90","","120","","10182.4","0.9","130","2","130","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C29.5 H43.5 N4.5 O15.5 S2 Zn4 -","- C22 H24 N2 O12 S2 Zn4 -","- C198 H216 N18 O108 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","x-ray","0.71073","MoKα","","0.089","0.061","","","0.1805","0.1955","","","","","","1.079","","","","has coordinates,has disorder","221050","2020-10-21","18:00:00",""
"4127891","31.8116","0.0009","31.8116","0.0009","11.6096","0.0004","90","","90","","120","","10174.6","0.5","130","2","130","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C31.4 H48.6 N3.8 O15.8 S2 Zn4 -","- C26 H26 N2 O12 S2 Zn4 -","- C234 H234 N18 O108 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","x-ray","0.71073","MoKα","","0.0381","0.0318","","","0.0866","0.0892","","","","","","1.055","","","","has coordinates,has disorder","221051","2020-10-21","18:00:00",""
"4127892","31.7683","0.0006","31.7683","0.0006","11.8414","0.0004","90","","90","","120","","10349.6","0.4","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C29.7 H43.3 N3.9 O14.9 S2 Zn4 -","- C24 H30 N2 O12 S2 Zn4 -","- C216 H270 N18 O108 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","","0.80246","synchrotron","","0.0897","0.0774","","","0.207","0.2213","","","","","","1.022","","","","has coordinates","221052","2020-10-21","18:00:00",""
"4127893","31.514","0.004","31.514","0.004","11.918","0.002","90","","90","","120","","10250","3","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C28 H30 N2 O12 S2 Zn4 -","- C28.0012 H30.0012 N2 O12 S2 Zn4 -","- C252.011 H270.011 N18 O108 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","","0.79272","synchrotron","","0.0754","0.073","","","0.2183","0.2204","","","","","","1.051","","","","has coordinates,has disorder","221053","2020-10-21","18:00:00",""
"4127894","32.0133","0.0005","32.0133","0.0005","11.7265","0.0003","90","","90","","120","","10407.8","0.4","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C27 H43 N3 O19 S2 Zn4 -","- C24 H21 N2 O14 S2 Zn4 -","- C216 H189 N18 O126 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","","0.80246","synchrotron","","0.0819","0.0604","","","0.1876","0.205","","","","","","1.12","","","","has coordinates,has disorder","221054","2020-10-21","18:00:00",""
"4127895","10.5503","0.0009","12.1072","0.001","13.3222","0.0011","65.534","0.004","75.342","0.004","83.721","0.004","1498.5","0.2","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H41 B F Fe N6 O0.5 -","- C29 H41 B F Fe N6 O0.5 -","- C58 H82 B2 F2 Fe2 N12 O -","2","1","","Valdez-Moreira, Juan A; Thorarinsdottir, Agnes E.; DeGayner, Jordan A.; Lutz, Sean A.; Chen, Chun-Hsing; Losovyj, Yaroslav; Pink, Maren; Harris, T. David; Smith, Jeremy M.","Strong π-Backbonding Enables Record Magnetic Exchange Coupling Through Cyanide.","Journal of the American Chemical Society","2019","141","43","17092","17097","10.1021/jacs.9b09445","","","0.71073","MoKα","","0.0469","0.0449","","0.1227","0.1212","0.1226","","","","","","1.0625","","","","has coordinates","221055","2020-10-21","18:00:00",""
"4127896","9.86","0.0005","17.8237","0.001","16.2023","0.0008","90","","91.967","0.003","90","","2845.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 B Fe N6 O -","- C28 H41 B Fe N6 O -","- C112 H164 B4 Fe4 N24 O4 -","4","1","","Valdez-Moreira, Juan A; Thorarinsdottir, Agnes E.; DeGayner, Jordan A.; Lutz, Sean A.; Chen, Chun-Hsing; Losovyj, Yaroslav; Pink, Maren; Harris, T. David; Smith, Jeremy M.","Strong π-Backbonding Enables Record Magnetic Exchange Coupling Through Cyanide.","Journal of the American Chemical Society","2019","141","43","17092","17097","10.1021/jacs.9b09445","","","0.71073","MoKα","","0.0398","0.0332","","","0.0936","0.0967","","","","","","1.151","","","","has coordinates","221055","2020-10-21","18:00:00",""
"4127897","21.4652","0.0009","17.9517","0.0008","9.739","0.0004","90","","90","","90","","3752.8","0.3","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H54 B Fe N7 O2 -","- C36 H54 B Fe N7 O2 -","- C144 H216 B4 Fe4 N28 O8 -","4","0.5","","Valdez-Moreira, Juan A; Thorarinsdottir, Agnes E.; DeGayner, Jordan A.; Lutz, Sean A.; Chen, Chun-Hsing; Losovyj, Yaroslav; Pink, Maren; Harris, T. David; Smith, Jeremy M.","Strong π-Backbonding Enables Record Magnetic Exchange Coupling Through Cyanide.","Journal of the American Chemical Society","2019","141","43","17092","17097","10.1021/jacs.9b09445","","","0.71073","MoKα","","0.0771","0.0724","","0.2152","0.2083","0.2152","","","","","","1.014","","","","has coordinates,has disorder","221055","2020-10-21","18:00:00",""
"4127898","20.9751","0.0008","16.3031","0.0007","20.4833","0.0006","90","","106.287","0.0012","90","","6723.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68.78 H103.55 B Fe Mo N10 O0.23 -","- C68.775 H103.55 B Fe Mo N10 O0.225 -","- C275.1 H414.2 B4 Fe4 Mo4 N40 O0.9 -","4","1","","Valdez-Moreira, Juan A; Thorarinsdottir, Agnes E.; DeGayner, Jordan A.; Lutz, Sean A.; Chen, Chun-Hsing; Losovyj, Yaroslav; Pink, Maren; Harris, T. David; Smith, Jeremy M.","Strong π-Backbonding Enables Record Magnetic Exchange Coupling Through Cyanide.","Journal of the American Chemical Society","2019","141","43","17092","17097","10.1021/jacs.9b09445","","","0.71073","MoKα","","0.0606","0.0411","","","0.0787","0.088","","","","","","1.048","","","","has coordinates,has disorder","221055","2020-10-21","18:00:00",""
"4127899","12.2219","0.0012","12.1044","0.0012","14.6671","0.0011","90","","98.924","0.003","90","","2143.6","0.3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br F3 I N O4 S -","- C18 H18 Br F3 I N O4 S -","- C72 H72 Br4 F12 I4 N4 O16 S4 -","4","1","","Isley, Nicholas A.; Endo, Yusuke; Wu, Zhi-Chen; Covington, Brett C.; Bushin, Leah B.; Seyedsayamdost, Mohammad R.; Boger, Dale L.","Total Synthesis and Stereochemical Assignment of Streptide.","Journal of the American Chemical Society","2019","141","43","17361","17369","10.1021/jacs.9b09067","","x-ray","0.71073","MoKα","","0.0412","0.0329","","","0.0754","0.0794","","","","","","1.043","","","","has coordinates","221056","2020-10-21","18:00:00",""
"4127900","14.5382","0.0005","8.2269","0.0002","14.7591","0.0004","90","","100.535","0.002","90","","1735.5","0.09","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H34 Br N5 O6 S -","- C38 H34 Br N5 O6 S -","- C76 H68 Br2 N10 O12 S2 -","2","1","","Isley, Nicholas A.; Endo, Yusuke; Wu, Zhi-Chen; Covington, Brett C.; Bushin, Leah B.; Seyedsayamdost, Mohammad R.; Boger, Dale L.","Total Synthesis and Stereochemical Assignment of Streptide.","Journal of the American Chemical Society","2019","141","43","17361","17369","10.1021/jacs.9b09067","","x-ray","1.54178","CuKα","","0.0364","0.0349","","","0.089","0.09","","","","","","1.071","","","","has coordinates","221058","2020-10-21","18:00:00",""
"4127901","7.6634","0.0002","16.5163","0.0003","27.5414","0.0005","90","","90","","90","","3485.94","0.13","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 Br N5 O6 S -","- C38 H34 Br N5 O6 S -","- C152 H136 Br4 N20 O24 S4 -","4","1","","Isley, Nicholas A.; Endo, Yusuke; Wu, Zhi-Chen; Covington, Brett C.; Bushin, Leah B.; Seyedsayamdost, Mohammad R.; Boger, Dale L.","Total Synthesis and Stereochemical Assignment of Streptide.","Journal of the American Chemical Society","2019","141","43","17361","17369","10.1021/jacs.9b09067","","x-ray","1.54178","CuKα","","0.0378","0.0363","","","0.0902","0.0911","","","","","","1.035","","","","has coordinates","221059","2020-10-21","18:00:00",""
"4127902","7.9247","0.0004","10.0883","0.0005","13.7799","0.0007","90","","99.202","0.001","90","","1087.48","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H26 O3 -","- C28 H26 O3 -","- C56 H52 O6 -","2","1","","Lu, Shenci; Ong, Jun-Yang; Yang, Hui; Poh, Si Bei; Liew, Xi; Seow, Chwee San Deborah; Wong, Ming Wah; Zhao, Yu","Diastereo- and Atroposelective Synthesis of Bridged Biaryls Bearing an Eight-Membered Lactone through an Organocatalytic Cascade.","Journal of the American Chemical Society","2019","141","43","17062","17067","10.1021/jacs.9b08510","","","1.54178","CuKα","","0.0245","0.0244","","","0.0668","0.0669","","","","","","1.02","","","","has coordinates","221060","2020-10-21","18:00:00",""
"4127903","11.9855","0.0013","7.8837","0.0009","16.321","0.0018","90","","90.079","0.002","90","","1542.2","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","2","","Lu, Shenci; Ong, Jun-Yang; Yang, Hui; Poh, Si Bei; Liew, Xi; Seow, Chwee San Deborah; Wong, Ming Wah; Zhao, Yu","Diastereo- and Atroposelective Synthesis of Bridged Biaryls Bearing an Eight-Membered Lactone through an Organocatalytic Cascade.","Journal of the American Chemical Society","2019","141","43","17062","17067","10.1021/jacs.9b08510","","","1.54178","CuKα","","0.033","0.0327","","","0.0828","0.087","","","","","","1.072","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4127904","8.1622","0.0004","7.4452","0.0003","18.6526","0.0008","90","","93.348","0.001","90","","1131.57","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H25 N O4 S -","- C27 H25 N O4 S -","- C54 H50 N2 O8 S2 -","2","1","","Lu, Shenci; Ong, Jun-Yang; Yang, Hui; Poh, Si Bei; Liew, Xi; Seow, Chwee San Deborah; Wong, Ming Wah; Zhao, Yu","Diastereo- and Atroposelective Synthesis of Bridged Biaryls Bearing an Eight-Membered Lactone through an Organocatalytic Cascade.","Journal of the American Chemical Society","2019","141","43","17062","17067","10.1021/jacs.9b08510","","","1.54178","CuKα","","0.0259","0.0254","","","0.0637","0.0641","","","","","","1.061","","","","has coordinates","221062","2020-10-21","18:00:00",""
"4127905","14.5301","0.0005","17.9356","0.0006","17.9411","0.0007","90","","106.686","0.001","90","","4478.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","17237CE","","","- C46 H61 Cl Cu N4 O4 -","- C46 H61 Cl Cu N4 O4 -","- C184 H244 Cl4 Cu4 N16 O16 -","4","1","","Mandal, Mukunda; Elwell, Courtney E.; Bouchey, Caitlin J.; Zerk, Timothy J.; Tolman, William B.; Cramer, Christopher J.","Mechanisms for Hydrogen-Atom Abstraction by Mononuclear Copper(III) Cores: Hydrogen-Atom Transfer or Concerted Proton-Coupled Electron Transfer?","Journal of the American Chemical Society","2019","141","43","17236","17244","10.1021/jacs.9b08109","","","0.71073","MoKα","","0.1695","0.0714","","","0.1733","0.2494","","","","","","1.059","","","","has coordinates,has disorder","221063","2020-10-21","18:00:00",""
"4127906","10.0143","0.0003","10.1957","0.0003","11.7671","0.0003","107.939","0.001","92.935","0.001","116.211","0.001","1000.53","0.05","303","2","303.06","","","","","","","","","6","P 1","P 1","1","","","","- C22 H17 Br F3 N O -","- C22 H17 Br F3 N O -","- C44 H34 Br2 F6 N2 O2 -","2","2","","Wu, Lianqian; Wang, Fei; Chen, Pinhong; Liu, Guosheng","Enantioselective Construction of Quaternary All-Carbon Centers via Copper-Catalyzed Arylation of Tertiary Carbon-Centered Radicals.","Journal of the American Chemical Society","2019","141","5","1887","1892","10.1021/jacs.8b13052","","","1.34139","GaKα","","0.0613","0.0505","","","0.1315","0.1421","","","","","","1.036","","","","has coordinates","221064","2020-10-21","18:00:00",""
"4127907","10.2427","0.0001","17.1382","0.0002","17.4927","0.0002","90","","90","","90","","3070.69","0.06","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F4 N O -","- C17 H15 F4 N O -","- C136 H120 F32 N8 O8 -","8","2","","Wu, Lianqian; Wang, Fei; Chen, Pinhong; Liu, Guosheng","Enantioselective Construction of Quaternary All-Carbon Centers via Copper-Catalyzed Arylation of Tertiary Carbon-Centered Radicals.","Journal of the American Chemical Society","2019","141","5","1887","1892","10.1021/jacs.8b13052","","","1.34139","GaKα","","0.0495","0.0403","","","0.0873","0.0931","","","","","","1.076","","","","has coordinates","221065","2020-10-21","18:00:00",""
"4127908","8.5142","0.0012","8.8368","0.0013","14.135","0.002","78.7715","0.001","84.154","0.011","77.5726","0.001","1016.7","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cl4 Fe O2 -","- C18 H22 Cl4 Fe O2 -","- C36 H44 Cl8 Fe2 O4 -","2","1","","Horibe, Takahiro; Ohmura, Shuhei; Ishihara, Kazuaki","Structure and Reactivity of Aromatic Radical Cations Generated by FeCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","5","1877","1881","10.1021/jacs.8b12827","","","0.71075","MoKα","","0.0239","0.0213","","","0.0573","0.0583","","","","","","1.042","","","","has coordinates","221066","2020-10-21","18:00:00",""
"4127909","12.3265","0.001","5.7733","0.0006","26.867","0.002","90","","90.455","0.007","90","","1911.9","0.3","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl O2 -","- C24 H21 Cl O2 -","- C96 H84 Cl4 O8 -","4","1","","Horibe, Takahiro; Ohmura, Shuhei; Ishihara, Kazuaki","Structure and Reactivity of Aromatic Radical Cations Generated by FeCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","5","1877","1881","10.1021/jacs.8b12827","","x-ray","0.71073","MoKα","","0.1965","0.0716","","","0.1283","0.1666","","","","","","0.981","","","","has coordinates","221067","2020-10-21","18:00:00",""
"4127910","7.044","0.004","9.866","0.006","16.064","0.009","97.263","0.009","94.629","0.009","108.783","0.006","1039.7","1","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O5 Si2 -","- C18 H22 O5 Si2 -","- C36 H44 O10 Si4 -","2","1","","Goncharova, Irina K.; Silaeva, Kseniia P.; Arzumanyan, Ashot V.; Anisimov, Anton A.; Milenin, Sergey A.; Novikov, Roman A.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co-/ N-Hydroxysuccinimide-Catalyzed Oxidation of p-Tolylsiloxanes to p-Carboxyphenylsiloxanes: Synthesis of Functionalized Siloxanes as Promising Building Blocks for Siloxane-Based Materials.","Journal of the American Chemical Society","2019","141","5","2143","2151","10.1021/jacs.8b12600","","","0.71073","MoKα","","0.1189","0.0784","","","0.2122","0.2288","","","","","","0.987","","","","has coordinates","221068","2020-10-21","18:00:00",""
"4127911","8.451","0.003","8.701","0.003","13.195","0.005","98.271","0.007","90.712","0.007","90.314","0.008","960.1","0.6","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O5 Si2 -","- C18 H22 O5 Si2 -","- C36 H44 O10 Si4 -","2","1","","Goncharova, Irina K.; Silaeva, Kseniia P.; Arzumanyan, Ashot V.; Anisimov, Anton A.; Milenin, Sergey A.; Novikov, Roman A.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co-/ N-Hydroxysuccinimide-Catalyzed Oxidation of p-Tolylsiloxanes to p-Carboxyphenylsiloxanes: Synthesis of Functionalized Siloxanes as Promising Building Blocks for Siloxane-Based Materials.","Journal of the American Chemical Society","2019","141","5","2143","2151","10.1021/jacs.8b12600","","x-ray","0.71073","MoKα","","0.1225","0.0951","","","0.2036","0.2128","","","","","","0.93","","","","has coordinates","221069","2020-10-21","18:00:00",""
"4127912","27.4926","0.0009","9.318","0.0003","15.4357","0.0005","90","","103.206","0.001","90","","3849.7","0.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 O5 Si2 -","- C18 H22 O5 Si2 -","- C144 H176 O40 Si16 -","8","1","","Goncharova, Irina K.; Silaeva, Kseniia P.; Arzumanyan, Ashot V.; Anisimov, Anton A.; Milenin, Sergey A.; Novikov, Roman A.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co-/ N-Hydroxysuccinimide-Catalyzed Oxidation of p-Tolylsiloxanes to p-Carboxyphenylsiloxanes: Synthesis of Functionalized Siloxanes as Promising Building Blocks for Siloxane-Based Materials.","Journal of the American Chemical Society","2019","141","5","2143","2151","10.1021/jacs.8b12600","","","0.71073","MoKα","","0.0466","0.0377","","","0.1016","0.1119","","","","","","1.055","","","","has coordinates","221070","2020-10-21","18:00:00",""
"4127913","7.2406","0.0016","12.798","0.003","17.089","0.004","81.306","0.006","81.036","0.006","85.912","0.005","1544.4","0.6","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 O3 Si2 -","- C12 H20 O3 Si2 -","- C48 H80 O12 Si8 -","4","2","","Goncharova, Irina K.; Silaeva, Kseniia P.; Arzumanyan, Ashot V.; Anisimov, Anton A.; Milenin, Sergey A.; Novikov, Roman A.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co-/ N-Hydroxysuccinimide-Catalyzed Oxidation of p-Tolylsiloxanes to p-Carboxyphenylsiloxanes: Synthesis of Functionalized Siloxanes as Promising Building Blocks for Siloxane-Based Materials.","Journal of the American Chemical Society","2019","141","5","2143","2151","10.1021/jacs.8b12600","","x-ray","0.71073","MoKα","","0.1224","0.0717","","","0.1707","0.2003","","","","","","1.002","","","","has coordinates","221071","2020-10-21","18:00:00",""
"4127914","10.3251","0.0007","11.224","0.0008","11.3432","0.0008","96.522","0.001","111.319","0.001","115.39","0.001","1048.07","0.13","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 O5 Si2 -","- C20 H26 O5 Si2 -","- C40 H52 O10 Si4 -","2","1","","Goncharova, Irina K.; Silaeva, Kseniia P.; Arzumanyan, Ashot V.; Anisimov, Anton A.; Milenin, Sergey A.; Novikov, Roman A.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co-/ N-Hydroxysuccinimide-Catalyzed Oxidation of p-Tolylsiloxanes to p-Carboxyphenylsiloxanes: Synthesis of Functionalized Siloxanes as Promising Building Blocks for Siloxane-Based Materials.","Journal of the American Chemical Society","2019","141","5","2143","2151","10.1021/jacs.8b12600","","","0.71073","MoKα","","0.0432","0.0347","","","0.0921","0.0987","","","","","","1.02","","","","has coordinates","221072","2020-10-21","18:00:00",""
"4127915","34.86","0.04","11.175","0.011","23.4","0.02","90","","110.5","0.04","90","","8538","15","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H74 Fe N2 O P4 -","- C44 H48 Fe N2 P4 -","- C352 H384 Fe8 N16 P32 -","8","1","","Prokopchuk, Demyan E.; Chambers, Geoffrey M.; Walter, Eric D.; Mock, Michael T.; Bullock, R. Morris","H<sub>2</sub> Binding, Splitting, and Net Hydrogen Atom Transfer at a Paramagnetic Iron Complex.","Journal of the American Chemical Society","2019","141","5","1871","1876","10.1021/jacs.8b12823","","","0.71073","MoKα","","0.0362","0.0286","","","0.0707","0.074","","","","","","1.022","","","","has coordinates","221073","2020-10-21","18:00:00",""
"4127916","9.57","0.002","11.955","0.002","17.699","0.003","104.34","0.02","93.68","0.02","108.63","0.03","1836.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H61 Ge N2 Si -","- C38 H61 Ge N2 Si -","- C76 H122 Ge2 N4 Si2 -","2","1","","Siddiqui, Mujahuddin M.; Sarkar, Samir Kumar; Sinhababu, Soumen; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Ghosh, Munmun; Fu, Mingxing; Zhao, Lili; Casanova, David; Frenking, Gernot; Schwederski, Brigitte; Kaim, Wolfgang; Roesky, Herbert W.","Isolation of Transient Acyclic Germanium(I) Radicals Stabilized by Cyclic Alkyl(amino) Carbenes.","Journal of the American Chemical Society","2019","141","5","1908","1912","10.1021/jacs.8b13434","","","0.56086","AgKα","","0.0538","0.0436","","","0.1124","0.1192","","","","","","1.076","","","","has coordinates","221074","2020-10-21","18:00:00",""
"4127917","13.375","0.002","13.416","0.002","14.015","0.003","112.83","0.02","100.59","0.02","108.21","0.03","2063.8","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H57 Ge N2 Si -","- C47 H57 Ge N2 Si -","- C94 H114 Ge2 N4 Si2 -","2","1","","Siddiqui, Mujahuddin M.; Sarkar, Samir Kumar; Sinhababu, Soumen; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Ghosh, Munmun; Fu, Mingxing; Zhao, Lili; Casanova, David; Frenking, Gernot; Schwederski, Brigitte; Kaim, Wolfgang; Roesky, Herbert W.","Isolation of Transient Acyclic Germanium(I) Radicals Stabilized by Cyclic Alkyl(amino) Carbenes.","Journal of the American Chemical Society","2019","141","5","1908","1912","10.1021/jacs.8b13434","","","0.56086","AgKα","","0.0693","0.0459","","","0.1073","0.1251","","","","","","1.118","","","","has coordinates","221075","2020-10-21","18:00:00",""
"4127918","13.5988","0.0008","47.708","0.003","50.646","0.003","90","","90","","90","","32858","3","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C96 H415 K23 O300 P20 Pd31 -","- C96 H112 K17.8333 O221.508 P20 Pd31 -","- C384 H448 K71.3332 O886.031 P80 Pd124 -","4","1","","Yang, Peng; Zhao, Wenli; Shkurenko, Aleksander; Belmabkhout, Youssef; Eddaoudi, Mohamed; Dong, Xiaochen; Alshareef, Husam N.; Khashab, Niveen M.","Polyoxometalate-Cyclodextrin Metal-Organic Frameworks: From Tunable Structure to Customized Storage Functionality.","Journal of the American Chemical Society","2019","141","5","1847","1851","10.1021/jacs.8b11998","","","1.54178","CuKα","","0.082","0.0772","","","0.216","0.2218","","","","","","1.031","","","","has coordinates,has disorder","221076","2020-10-21","18:00:00",""
"4127919","16.7418","0.0008","15.6598","0.0008","18.4127","0.0009","90","","90.376","0.002","90","","4827.2","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H102 K2.5 Na2.5 O92 P W12 -","- C38 H45 K2.5 Na2.5 O83 P W12 -","- C76 H90 K5 Na5 O166 P2 W24 -","2","1","","Yang, Peng; Zhao, Wenli; Shkurenko, Aleksander; Belmabkhout, Youssef; Eddaoudi, Mohamed; Dong, Xiaochen; Alshareef, Husam N.; Khashab, Niveen M.","Polyoxometalate-Cyclodextrin Metal-Organic Frameworks: From Tunable Structure to Customized Storage Functionality.","Journal of the American Chemical Society","2019","141","5","1847","1851","10.1021/jacs.8b11998","","","1.54178","CuKα","","0.0666","0.0633","","","0.2012","0.2052","","","","","","1.068","","","","has coordinates,has disorder","221077","2020-10-21","18:00:00",""
"4127920","11.4648","0.0011","7.4731","0.0007","11.5835","0.0011","90","","94.863","0.004","90","","988.87","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H14 Br F3 N2 O6 -","- C19 H14 Br F3 N2 O6 -","- C38 H28 Br2 F6 N4 O12 -","2","1","","Schwartz, Leyah A.; Holmes, Michael; Brito, Gilmar A.; Gonçalves, Théo P; Richardson, Jeffery; Ruble, J. Craig; Huang, Kuo-Wei; Krische, Michael J.","Cyclometalated Iridium-PhanePhos Complexes Are Active Catalysts in Enantioselective Allene-Fluoral Reductive Coupling and Related Alcohol-Mediated Carbonyl Additions That Form Acyclic Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2019","141","5","2087","2096","10.1021/jacs.8b11868","","","0.71073","MoKα","","0.0324","0.0261","","","0.0524","0.0537","","","","","","0.998","","","","has coordinates","221078","2020-10-21","18:00:00",""
"4127921","11.5455","0.0012","18.2487","0.0017","22.786","0.002","107.665","0.006","96.056","0.007","96.264","0.007","4498.2","0.8","170","2","170.01","","","","","","","","","4","P -1","-P 1","2","","","","- C67 H34 Cl10 O6 -","- C67 H34 Cl10 O6 -","- C134 H68 Cl20 O12 -","2","1","","Wang, Yanpei; Qiu, Shuhai; Xie, Sheng; Zhou, Long; Hong, Youhua; Chang, Jingjing; Wu, Jishan; Zeng, Zebing","Synthesis and Characterization of Oxygen-Embedded Quinoidal Pentacene and Nonacene.","Journal of the American Chemical Society","2019","141","5","2169","2176","10.1021/jacs.8b13884","","","1.34139","GaKα","","0.2021","0.128","","","0.3","0.3547","","","","","","0.834","","","","has coordinates","221079","2020-10-21","18:00:00",""
"4127922","11.333","0.002","7.4415","0.0015","25.055","0.006","90","","92.183","0.007","90","","2111.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H28 Cl8 O4 -","- C48 H28 Cl8 O4 -","- C96 H56 Cl16 O8 -","2","0.5","","Wang, Yanpei; Qiu, Shuhai; Xie, Sheng; Zhou, Long; Hong, Youhua; Chang, Jingjing; Wu, Jishan; Zeng, Zebing","Synthesis and Characterization of Oxygen-Embedded Quinoidal Pentacene and Nonacene.","Journal of the American Chemical Society","2019","141","5","2169","2176","10.1021/jacs.8b13884","","","0.71073","MoKα","","0.1133","0.0794","","","0.2006","0.226","","","","","","1.09","","","","has coordinates","221080","2020-10-21","18:00:00",""
"4127923","24.297","0.0013","7.8094","0.0004","23.9522","0.0012","90","","98.529","0.002","90","","4494.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 Cl8 O5 -","- C50 H32 Cl8 O5 -","- C200 H128 Cl32 O20 -","4","1","","Wang, Yanpei; Qiu, Shuhai; Xie, Sheng; Zhou, Long; Hong, Youhua; Chang, Jingjing; Wu, Jishan; Zeng, Zebing","Synthesis and Characterization of Oxygen-Embedded Quinoidal Pentacene and Nonacene.","Journal of the American Chemical Society","2019","141","5","2169","2176","10.1021/jacs.8b13884","","","1.54178","CuKα","","0.0532","0.0464","","","0.1138","0.1181","","","","","","1.064","","","","has coordinates,has disorder","221081","2020-10-21","18:00:00",""
"4127924","10.195","0.004","13.289","0.007","16.613","0.008","73.338","0.015","86.579","0.014","84.425","0.014","2144.9","1.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H24 Cl6 O4 -","- C41 H24 Cl6 O4 -","- C82 H48 Cl12 O8 -","2","1","","Wang, Yanpei; Qiu, Shuhai; Xie, Sheng; Zhou, Long; Hong, Youhua; Chang, Jingjing; Wu, Jishan; Zeng, Zebing","Synthesis and Characterization of Oxygen-Embedded Quinoidal Pentacene and Nonacene.","Journal of the American Chemical Society","2019","141","5","2169","2176","10.1021/jacs.8b13884","","","0.71073","MoKα","","0.1317","0.0835","","","0.2171","0.2528","","","","","","1.026","","","","has coordinates","221082","2020-10-21","18:00:00",""
"4127925","9.175","0.0003","10.716","0.0003","11.0839","0.0004","90","","101.47","0.001","90","","1068","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","lm1XV374 - 18MCD012","","","- C24 H26 F3 N O2 S -","- C24 H26 F3 N O2 S -","- C48 H52 F6 N2 O4 S2 -","2","1","","Vidal, Xandro; Mascareñas, José L; Gulías, Moisés","Palladium-Catalyzed, Enantioselective Formal Cycloaddition between Benzyltriflamides and Allenes: Straightforward Access to Enantioenriched Isoquinolines.","Journal of the American Chemical Society","2019","141","5","1862","1866","10.1021/jacs.8b12636","","","0.71073","MoKα","","0.0327","0.0305","","","0.0776","0.079","","","","","","1.048","","","","has coordinates","221083","2020-10-21","18:00:00",""
"4127926","9.9817","0.001","8.5549","0.0009","10.6135","0.001","90","","100.483","0.004","90","","891.19","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","18MCD016","","","- C18 H22 F3 N O2 S -","- C18 H22 F3 N O2 S -","- C36 H44 F6 N2 O4 S2 -","2","1","","Vidal, Xandro; Mascareñas, José L; Gulías, Moisés","Palladium-Catalyzed, Enantioselective Formal Cycloaddition between Benzyltriflamides and Allenes: Straightforward Access to Enantioenriched Isoquinolines.","Journal of the American Chemical Society","2019","141","5","1862","1866","10.1021/jacs.8b12636","","","0.71073","MoKα","","0.0516","0.0395","","","0.085","0.0906","","","","","","1.056","","","","has coordinates","221084","2020-10-21","18:00:00",""
"4127927","7.55733","0.00014","20.5126","0.0007","26.9565","0.0009","71.418","0.003","83.519","0.002","82.56","0.002","3916.2","0.2","213","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C86 H81 N11 O17 -","- C86 H81 N11 O17 -","- C172 H162 N22 O34 -","2","1","","Hisaki, Ichiro; Suzuki, Yuto; Gomez, Eduardo; Ji, Qin; Tohnai, Norimitsu; Nakamura, Takayoshi; Douhal, Abderrazzak","Acid Responsive Hydrogen-Bonded Organic Frameworks.","Journal of the American Chemical Society","2019","141","5","2111","2121","10.1021/jacs.8b12124","","","1.54187","CuKα","","0.0578","0.0465","","","0.1248","0.1323","","","","","","1.047","","","","has coordinates","221085","2020-10-21","18:00:00",""
"4127928","23.5339","0.00013","25.9485","0.00012","27.4962","0.00015","108.671","0.0004","100.83","0.0005","108.27","0.0005","14309.1","0.16","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H73 Cl N10 O16 -","- C88 H73 Cl N10 O16 -","- C528 H438 Cl6 N60 O96 -","6","3","","Hisaki, Ichiro; Suzuki, Yuto; Gomez, Eduardo; Ji, Qin; Tohnai, Norimitsu; Nakamura, Takayoshi; Douhal, Abderrazzak","Acid Responsive Hydrogen-Bonded Organic Frameworks.","Journal of the American Chemical Society","2019","141","5","2111","2121","10.1021/jacs.8b12124","","","1.54184","CuKα","","0.086","0.0788","","","0.2515","0.2597","","","","","","1.082","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4127929","7.27754","0.00017","20.8039","0.0004","21.7135","0.0004","76.5118","0.0017","89.6714","0.0017","86.3993","0.0018","3190.33","0.12","213","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H36 N6 O12 -","- C66 H36 N6 O12 -","- C132 H72 N12 O24 -","2","1","","Hisaki, Ichiro; Suzuki, Yuto; Gomez, Eduardo; Ji, Qin; Tohnai, Norimitsu; Nakamura, Takayoshi; Douhal, Abderrazzak","Acid Responsive Hydrogen-Bonded Organic Frameworks.","Journal of the American Chemical Society","2019","141","5","2111","2121","10.1021/jacs.8b12124","","","1.54187","CuKα","","0.0935","0.0808","","","0.249","0.2648","","","","","","1.05","","","","has coordinates","221087","2020-10-21","18:00:00",""
"4127930","7.3893","0.0004","19.398","0.0011","21.3787","0.001","80.108","0.004","88.822","0.004","82.022","0.005","2989.6","0.3","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H36 N6 O12 -","- C66 H36 N6 O12 -","- C132 H72 N12 O24 -","2","1","","Hisaki, Ichiro; Suzuki, Yuto; Gomez, Eduardo; Ji, Qin; Tohnai, Norimitsu; Nakamura, Takayoshi; Douhal, Abderrazzak","Acid Responsive Hydrogen-Bonded Organic Frameworks.","Journal of the American Chemical Society","2019","141","5","2111","2121","10.1021/jacs.8b12124","","","1.54184","CuKα","","0.1888","0.1163","","","0.3031","0.3618","","","","","","1.018","","","","has coordinates","221088","2020-10-21","18:00:00",""
"4127931","10.7896","0.0012","14.973","0.002","15.5499","0.0018","94.628","0.005","97.727","0.006","92.077","0.005","2478.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H58 N4 O11 P6 -","- C48 H58 N4 O11 P6 -","- C96 H116 N8 O22 P12 -","2","1","","Shepard, Scott M.; Cummins, Christopher C.","Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles.","Journal of the American Chemical Society","2019","141","5","1852","1856","10.1021/jacs.8b12204","","","0.71073","MoKα","","0.055","0.0394","","","0.093","0.1019","","","","","","1.042","","","","has coordinates,has disorder","221089","2020-10-21","18:00:00",""
"4127932","8.851","0.0006","33.631","0.002","14.7539","0.0007","90","","93.551","0.002","90","","4383.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(PPN)(H2NEt2)(P3O8NEt2)","","","- C44 H52 N3 O8 P5 -","- C44 H52 N3 O8 P5 -","- C176 H208 N12 O32 P20 -","4","1","","Shepard, Scott M.; Cummins, Christopher C.","Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles.","Journal of the American Chemical Society","2019","141","5","1852","1856","10.1021/jacs.8b12204","","","0.71073","MoKα","","0.0394","0.0346","","","0.0853","0.0886","","","","","","1.061","","","","has coordinates","221090","2020-10-21","18:00:00",""
"4127933","32.577","0.002","9.197","0.0006","14.4155","0.0009","90","","90","","90","","4319","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H49 N2 O9 P5 -","- C43 H49 N2 O9 P5 -","- C172 H196 N8 O36 P20 -","4","1","","Shepard, Scott M.; Cummins, Christopher C.","Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles.","Journal of the American Chemical Society","2019","141","5","1852","1856","10.1021/jacs.8b12204","","","0.71073","MoKα","","0.0373","0.0334","","","0.0775","0.0794","","","","","","1.037","","","","has coordinates,has disorder","221091","2020-10-21","18:00:00",""
"4127934","13.4493","0.0005","19.5239","0.0009","25.1485","0.0009","90","","90","","90","","6603.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","iso-P4O12(PPN)2*H2O","","","- C72 H62 N2 O12.59 P8 -","- C72 H62 N2 O12.59 P8 -","- C288 H248 N8 O50.36 P32 -","4","1","","Shepard, Scott M.; Cummins, Christopher C.","Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles.","Journal of the American Chemical Society","2019","141","5","1852","1856","10.1021/jacs.8b12204","","","1.54178","CuKα","","0.0758","0.0562","","","0.138","0.1571","","","","","","1.091","","","","has coordinates","221092","2020-10-21","18:00:00",""
"4127935","15.475","0.003","17.268","0.003","19.388","0.004","63.67","0.03","70.32","0.03","86.65","0.03","4347","2","80","2","80","2","","","","","","","","8","P -1","-P 1","2","","","","- C150 H111 B4 F40 N15 O Pd2 S8 -","- C150 H111 B4 F40 N15 O Pd2 S8 -","- C150 H111 B4 F40 N15 O Pd2 S8 -","1","0.5","","Li, Ru-Jin; Holstein, Julian J.; Hiller, Wolf G.; Andréasson, Joakim; Clever, Guido H.","Mechanistic Interplay between Light Switching and Guest Binding in Photochromic [Pd<sub>2</sub>Dithienylethene<sub>4</sub>] Coordination Cages.","Journal of the American Chemical Society","2019","141","5","2097","2103","10.1021/jacs.8b11872","","","0.5636","synchrotron","","0.1622","0.1172","","","0.3222","0.358","","","","","","1.272","","","","has coordinates,has disorder","221093","2020-10-21","18:00:00",""
"4127936","16.2723","0.0007","18.2308","0.0007","19.8269","0.0008","106.559","0.002","90.944","0.002","108.396","0.002","5313","0.4","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C160 H122 B2 F32 N12 O8 Pd2 S10 -","- C160 H122 B2 F32 N12 O8 Pd2 S10 -","- C160 H122 B2 F32 N12 O8 Pd2 S10 -","1","1","","Li, Ru-Jin; Holstein, Julian J.; Hiller, Wolf G.; Andréasson, Joakim; Clever, Guido H.","Mechanistic Interplay between Light Switching and Guest Binding in Photochromic [Pd<sub>2</sub>Dithienylethene<sub>4</sub>] Coordination Cages.","Journal of the American Chemical Society","2019","141","5","2097","2103","10.1021/jacs.8b11872","","","1.54178","CuKα","","0.0728","0.0563","","","0.1612","0.1749","","","","","","1.042","","","","has coordinates,has disorder","221094","2020-10-21","18:00:00",""
"4127937","13.28","0.003","20.622","0.004","5.7279","0.0011","90","","95.38","0.03","90","","1561.7","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Xu, Jiancong; Chen, Jingjing; Gao, Feng; Xie, Shuguang; Xu, Xiaohua; Jin, Zhong; Yu, Jin-Quan","Sequential Functionalization of meta-C-H and ipso-C-O Bonds of Phenols.","Journal of the American Chemical Society","2019","141","5","1903","1907","10.1021/jacs.8b13403","","","0.71073","MoKα","","0.0652","0.0484","","","0.1175","0.1283","","","","","","1.038","","","","has coordinates","221095","2020-10-21","18:00:00",""
"4127938","16.296","0.003","12.49","0.003","7.3775","0.0015","90","","96.78","0.03","90","","1491.1","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F O3 -","- C18 H17 F O3 -","- C72 H68 F4 O12 -","4","1","","Xu, Jiancong; Chen, Jingjing; Gao, Feng; Xie, Shuguang; Xu, Xiaohua; Jin, Zhong; Yu, Jin-Quan","Sequential Functionalization of meta-C-H and ipso-C-O Bonds of Phenols.","Journal of the American Chemical Society","2019","141","5","1903","1907","10.1021/jacs.8b13403","","","0.71073","MoKα","","0.0835","0.0589","","","0.1365","0.1491","","","","","","1.095","","","","has coordinates","221096","2020-10-21","18:00:00",""
"4127939","7.6438","0.0006","7.7858","0.0006","19.8762","0.0016","95.895","0.003","91.044","0.003","117.92","0.003","1036.72","0.14","123","","123","","","","","","","","Kevin Weiland","4","P -1","-P 1","2","","","","- C48 H52 O4 S4 -","- C48 H52 O4 S4 -","- C48 H52 O4 S4 -","1","0.5","","Weiland, Kevin J.; Brandl, Thomas; Atz, Kenneth; Prescimone, Alessandro; Häussinger, Daniel; Šolomek, Tomáš; Mayor, Marcel","Mechanical Stabilization of Helical Chirality in a Macrocyclic Oligothiophene.","Journal of the American Chemical Society","2019","141","5","2104","2110","10.1021/jacs.8b11797","","","1.54178","CuKα","","0.0775","0.0751","","0.0587","0.0587","0.0586","","","","","","1.0297","","","","has coordinates","221097","2020-10-21","18:00:00",""
"4127940","44.908","0.002","17.6979","0.0008","27.658","0.0012","90","","113.317","0.002","90","","20186.7","1.6","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H80 F24 N6 O12 P4 -","- C84 H80 F24 N6 O12 P4 -","- C672 H640 F192 N48 O96 P32 -","8","1","","Jiao, Tianyu; Cai, Kang; Nelson, Jordan N.; Jiao, Yang; Qiu, Yunyan; Wu, Guangcheng; Zhou, Jiawang; Cheng, Chuyang; Shen, Dengke; Feng, Yuanning; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser; Li, Hao","Stabilizing the Naphthalenediimide Radical within a Tetracationic Cyclophane.","Journal of the American Chemical Society","2019","141","42","16915","16922","10.1021/jacs.9b08926","","","1.54178","CuKα","","0.0962","0.081","","","0.2379","0.2575","","","","","","1.047","","","","has coordinates,has disorder","221098","2020-10-21","18:00:00",""
"4127941","10.9442","0.0007","16.0723","0.0012","19.1059","0.0013","94.246","0.004","90.646","0.004","92.596","0.004","3347.7","0.4","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C65.6 H63.6 F19.2 N7.6 O4.8 P3.2 -","- C65.6 H63.6 F19.2 N7.6 O4.8 P3.2 -","- C131.2 H127.2 F38.4 N15.2 O9.6 P6.4 -","2","1","","Jiao, Tianyu; Cai, Kang; Nelson, Jordan N.; Jiao, Yang; Qiu, Yunyan; Wu, Guangcheng; Zhou, Jiawang; Cheng, Chuyang; Shen, Dengke; Feng, Yuanning; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser; Li, Hao","Stabilizing the Naphthalenediimide Radical within a Tetracationic Cyclophane.","Journal of the American Chemical Society","2019","141","42","16915","16922","10.1021/jacs.9b08926","","","1.54178","CuKα","","0.0912","0.0829","","","0.2339","0.2433","","","","","","1.033","","","","has coordinates,has disorder","221099","2020-10-21","18:00:00",""
"4127942","11.3842","0.0006","18.1455","0.001","20.4946","0.0011","112.76","0.005","91.764","0.004","102.586","0.005","3778.9","0.4","181.8","","181.8","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H70 F24 N9 O6 P4 -","- C71 H70 F24 N9 O6 P4 -","- C142 H140 F48 N18 O12 P8 -","2","1","","Jiao, Tianyu; Cai, Kang; Nelson, Jordan N.; Jiao, Yang; Qiu, Yunyan; Wu, Guangcheng; Zhou, Jiawang; Cheng, Chuyang; Shen, Dengke; Feng, Yuanning; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser; Li, Hao","Stabilizing the Naphthalenediimide Radical within a Tetracationic Cyclophane.","Journal of the American Chemical Society","2019","141","42","16915","16922","10.1021/jacs.9b08926","","","0.71073","MoKα","","0.1701","0.1216","","","0.3338","0.3884","","","","","","1.284","","","","has coordinates,has disorder","221100","2020-10-21","18:00:00",""
"4127943","17.547","0.0013","27.825","0.003","18.3914","0.0014","90","","101.895","0.006","90","","8786.7","1.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H83 F18 N7 O12 P3 -","- C86 H83 F18 N7 O12 P3 -","- C344 H332 F72 N28 O48 P12 -","4","1","","Jiao, Tianyu; Cai, Kang; Nelson, Jordan N.; Jiao, Yang; Qiu, Yunyan; Wu, Guangcheng; Zhou, Jiawang; Cheng, Chuyang; Shen, Dengke; Feng, Yuanning; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser; Li, Hao","Stabilizing the Naphthalenediimide Radical within a Tetracationic Cyclophane.","Journal of the American Chemical Society","2019","141","42","16915","16922","10.1021/jacs.9b08926","","","1.54178","CuKα","","0.1952","0.1616","","","0.3917","0.4184","","","","","","1.475","","","","has coordinates,has disorder","221101","2020-10-21","18:00:00",""
"4127944","10.6208","0.0008","14.5195","0.0011","16.0462","0.0012","104.065","0.002","99.592","0.002","102.634","0.002","2278.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H74 Al F3 N2 O4 S -","- C46 H74 Al F3 N2 O4 S -","- C92 H148 Al2 F6 N4 O8 S2 -","2","1","","Mellerup, Soren K.; Cui, Yunshu; Fantuzzi, Felipe; Schmid, Paul; Goettel, James T.; Bélanger-Chabot, Guillaume; Arrowsmith, Merle; Krummenacher, Ivo; Ye, Qing; Engel, Volker; Engels, Bernd; Braunschweig, Holger","Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions.","Journal of the American Chemical Society","2019","141","42","16954","16960","10.1021/jacs.9b09128","","","0.71073","MoKα","","0.0689","0.0492","","","0.1242","0.1372","","","","","","1.008","","","","has coordinates,has disorder","221102","2020-10-21","18:00:00",""
"4127945","9.602","0.002","12.341","0.003","16.807","0.005","89.029","0.013","86.294","0.01","69.262","0.01","1858.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H63 Al N2 -","- C40 H63 Al N2 -","- C80 H126 Al2 N4 -","2","1","","Mellerup, Soren K.; Cui, Yunshu; Fantuzzi, Felipe; Schmid, Paul; Goettel, James T.; Bélanger-Chabot, Guillaume; Arrowsmith, Merle; Krummenacher, Ivo; Ye, Qing; Engel, Volker; Engels, Bernd; Braunschweig, Holger","Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions.","Journal of the American Chemical Society","2019","141","42","16954","16960","10.1021/jacs.9b09128","","","0.71073","MoKα","","0.0645","0.0502","","","0.1061","0.1136","","","","","","1.068","","","","has coordinates","221103","2020-10-21","18:00:00",""
"4127946","12.642","0.006","19.274","0.008","17.059","0.007","90","","111.537","0.014","90","","3866","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H63 Al Cl2 N2 -","- C40 H63 Al Cl2 N2 -","- C160 H252 Al4 Cl8 N8 -","4","1","","Mellerup, Soren K.; Cui, Yunshu; Fantuzzi, Felipe; Schmid, Paul; Goettel, James T.; Bélanger-Chabot, Guillaume; Arrowsmith, Merle; Krummenacher, Ivo; Ye, Qing; Engel, Volker; Engels, Bernd; Braunschweig, Holger","Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions.","Journal of the American Chemical Society","2019","141","42","16954","16960","10.1021/jacs.9b09128","","","0.71073","MoKα","","0.0502","0.0389","","","0.0966","0.1041","","","","","","1.022","","","","has coordinates","221104","2020-10-21","18:00:00",""
"4127947","13.647","0.004","27.147","0.007","13.569","0.004","90","","100.226","0.007","90","","4947","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H84 Al N2 Na Si -","- C49 H84 Al N2 Na Si -","- C196 H336 Al4 N8 Na4 Si4 -","4","0.5","","Mellerup, Soren K.; Cui, Yunshu; Fantuzzi, Felipe; Schmid, Paul; Goettel, James T.; Bélanger-Chabot, Guillaume; Arrowsmith, Merle; Krummenacher, Ivo; Ye, Qing; Engel, Volker; Engels, Bernd; Braunschweig, Holger","Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions.","Journal of the American Chemical Society","2019","141","42","16954","16960","10.1021/jacs.9b09128","","","0.71073","MoKα","","0.0724","0.0536","","","0.1037","0.1117","","","","","","1.113","","","","has coordinates,has disorder","221105","2020-10-21","18:00:00",""
"4127948","7.8711","0.0013","34.698","0.006","20.06","0.003","90","","99.45","0.003","90","","5404.3","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl3 F2 -","- C14 H9 Cl3 F2 -","- C224 H144 Cl48 F32 -","16","4","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0745","0.0454","","","0.0915","0.103","","","","","","1.014","","","","has coordinates","221106","2020-10-21","18:00:00",""
"4127949","9.3017","0.0011","13.2943","0.0015","10.9353","0.0013","90","","97.406","0.002","90","","1341","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl3 F2 -","- C14 H9 Cl3 F2 -","- C56 H36 Cl12 F8 -","4","1","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0478","0.0362","","","0.0843","0.0894","","","","","","1.018","","","","has coordinates","221106","2020-10-21","18:00:00",""
"4127950","9.923","0.0006","7.808","0.0005","18.1832","0.0011","90","","94.507","0.001","90","","1404.46","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C56 H36 Cl16 F4 -","4","2","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0272","0.0253","","","0.0573","0.0583","","","","","","1.023","","","","has coordinates","221106","2020-10-21","18:00:00",""
"4127951","9.9215","0.0007","7.8098","0.0005","18.1864","0.0012","90","","94.507","0.001","90","","1404.81","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C56 H36 Cl16 F4 -","4","2","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0271","0.0254","","","0.0576","0.0584","","","","","","1.034","","","","has coordinates","221106","2020-10-21","18:00:00",""
"4127952","9.6421","0.0005","9.6762","0.0005","16.3543","0.0009","94.296","0.001","103.025","0.001","107.253","0.001","1403.12","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C56 H36 Cl16 F4 -","4","2","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0454","0.0373","","","0.0894","0.0935","","","","","","1.04","","","","has coordinates,has disorder","221106","2020-10-21","18:00:00",""
"4127953","7.862","0.003","34.467","0.013","21.043","0.008","90","","99.217","0.003","90","","5629","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C224 H144 Cl64 F16 -","16","4","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.1145","0.0889","","","0.2415","0.2569","","","","","","1.27","","","","has coordinates,has disorder","221106","2020-10-21","18:00:00",""
"4127954","9.881","0.006","7.799","0.005","36.55","0.02","90","","90","","90","","2817","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C112 H72 Cl32 F8 -","8","1","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.1444","0.1242","","","0.4113","0.422","","","","","","1.783","","","","has coordinates,has disorder","221106","2020-10-21","18:00:00",""
"4127955","3.9548","0.00012","3.9548","0.00012","24.0993","0.0012","90","","90","","120","","326.43","0.02","180","0.1","180","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Bi2.72 Cs1.03 Mn1.28 S6 -","- Bi2.7204 Cs1.03 Mn1.2796 S6 -","- Bi2.7204 Cs1.03 Mn1.2796 S6 -","1","0.0416667","","Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.","K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.","Journal of the American Chemical Society","2019","141","42","16903","16914","10.1021/jacs.9b08674","","","0.71073","MoKα","","0.0344","0.0337","","","0.0828","0.0833","","","","","","1.274","","","","has coordinates","221107","2020-10-21","18:00:00",""
"4127956","3.95293","0.00014","3.95293","0.00014","23.5976","0.0015","90","","90","","120","","319.33","0.03","179.99","0.1","179.99","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Bi2.72 Mn1.28 Rb0.88 S6 -","- Bi2.7204 Mn1.28 Rb0.88 S6 -","- Bi2.7204 Mn1.28 Rb0.88 S6 -","1","0.0416667","","Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.","K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.","Journal of the American Chemical Society","2019","141","42","16903","16914","10.1021/jacs.9b08674","","","0.71073","MoKα","","0.0386","0.0386","","","0.0848","0.0848","","","","","","1.319","","","","has coordinates","221108","2020-10-21","18:00:00",""
"4127957","3.9521","0.00014","3.9521","0.00014","23.0937","0.0016","90","","90","","120","","312.38","0.03","180","0.02","180","0.02","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Bi2.72 K1.28 Mn1.28 S6 -","- Bi2.7196 K1.282 Mn1.2804 S6 -","- Bi2.7196 K1.282 Mn1.2804 S6 -","1","0.0416667","","Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.","K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.","Journal of the American Chemical Society","2019","141","42","16903","16914","10.1021/jacs.9b08674","","","0.71073","MoKα","","0.0266","0.0238","","","0.0512","0.0519","","","","","","1.269","","","","has coordinates","221109","2020-10-21","18:00:00",""
"4127958","3.94702","0.00017","3.94702","0.00017","23.4271","0.0017","90","","90","","120","","316.07","0.03","180","0.1","180","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Bi2.72 Mn1.28 S6 Zn0.64 -","- Bi2.7204 Mn1.28 S6 Zn0.64 -","- Bi2.7204 Mn1.28 S6 Zn0.64 -","1","0.0416667","","Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.","K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.","Journal of the American Chemical Society","2019","141","42","16903","16914","10.1021/jacs.9b08674","","","0.71073","MoKα","","0.0345","0.0326","","","0.0761","0.0772","","","","","","1.392","","","","has coordinates","221110","2020-10-21","18:00:00",""
"4127959","9.9133","0.0007","9.9284","0.001","13.9131","0.001","74.704","0.005","71.972","0.003","60.445","0.004","1122.44","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C56 H52 N4 O8 -","2","1","","Jiang, Xing; Duan, Hai-Bao; Jellen, Marcus J.; Chen, Yu; Chung, Tim S.; Liang, Yong; Garcia-Garibay, Miguel A","Thermally Activated Transient Dipoles and Rotational Dynamics of Hydrogen-Bonded and Charge-Transferred Diazabicyclo [2.2.2]Octane Molecular Rotors.","Journal of the American Chemical Society","2019","141","42","16802","16809","10.1021/jacs.9b07518","","","1.54178","CuKα","","0.044","0.0386","","","0.1005","0.1054","","","","","","1.077","","","","has coordinates","221112","2020-10-21","18:00:00",""
"4127960","8.7804","0.0004","9.4799","0.0004","21.6599","0.001","91.253","0.002","100.354","0.002","100.068","0.002","1743.6","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H44 N2 O4 -","- C46 H44 N2 O4 -","- C92 H88 N4 O8 -","2","1","","Jiang, Xing; Duan, Hai-Bao; Jellen, Marcus J.; Chen, Yu; Chung, Tim S.; Liang, Yong; Garcia-Garibay, Miguel A","Thermally Activated Transient Dipoles and Rotational Dynamics of Hydrogen-Bonded and Charge-Transferred Diazabicyclo [2.2.2]Octane Molecular Rotors.","Journal of the American Chemical Society","2019","141","42","16802","16809","10.1021/jacs.9b07518","","","1.54178","CuKα","","0.0423","0.0382","","","0.1006","0.1038","","","","","","1.041","","","","has coordinates","221113","2020-10-21","18:00:00",""
"4127961","5.5889","0.0005","7.8356","0.0007","22.0624","0.0017","90","","91.268","0.004","90","","965.93","0.14","287","2","287","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 O P -","- C23 H23 O P -","- C46 H46 O2 P2 -","2","1","","Liu, Xu-Teng; Zhang, Ya-Qian; Han, Xue-Yu; Sun, Shi-Ping; Zhang, Qing-Wei","Ni-Catalyzed Asymmetric Allylation of Secondary Phosphine Oxides.","Journal of the American Chemical Society","2019","141","42","16584","16589","10.1021/jacs.9b08734","","","1.54178","CuKα","","0.0844","0.0682","","","0.198","0.2292","","","","","","1.074","","","","has coordinates","221114","2020-10-21","18:00:00",""
"4127962","10.1504","0.0013","13.5086","0.0017","20.683","0.003","105.697","0.003","91.413","0.003","96.977","0.004","2705.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H45 Cl Co N2 -","- C56 H45 Cl Co N2 -","- C112 H90 Cl2 Co2 N4 -","2","1","","Baek, Yunjung; Hennessy, Elisabeth T.; Betley, Theodore A.","Direct Manipulation of Metal Imido Geometry: Key Principles to Enhance C-H Amination Efficacy.","Journal of the American Chemical Society","2019","141","42","16944","16953","10.1021/jacs.9b09015","","","0.71073","MoKα","","0.1555","0.0948","","","0.2318","0.2621","","","","","","1.059","","","","has coordinates,has disorder","221115","2020-10-21","18:00:00",""
"4127963","16.87","0.003","16.39","0.003","18.057","0.003","90","","92.266","0.004","90","","4988.8","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H57 Co N2 -","- C68 H57 Co N2 -","- C272 H228 Co4 N8 -","4","1","","Baek, Yunjung; Hennessy, Elisabeth T.; Betley, Theodore A.","Direct Manipulation of Metal Imido Geometry: Key Principles to Enhance C-H Amination Efficacy.","Journal of the American Chemical Society","2019","141","42","16944","16953","10.1021/jacs.9b09015","","","0.71073","MoKα","","0.1212","0.0585","","","0.1086","0.1278","","","","","","1.005","","","","has coordinates","221115","2020-10-21","18:00:00",""
"4127964","43.307","0.009","11.775","0.003","23.012","0.005","90","","121.668","0.004","90","","9987","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H60 Co N3 -","- C66 H60 Co N3 -","- C528 H480 Co8 N24 -","8","1","","Baek, Yunjung; Hennessy, Elisabeth T.; Betley, Theodore A.","Direct Manipulation of Metal Imido Geometry: Key Principles to Enhance C-H Amination Efficacy.","Journal of the American Chemical Society","2019","141","42","16944","16953","10.1021/jacs.9b09015","","","0.71073","MoKα","","0.138","0.0715","","","0.1028","0.1207","","","","","","1.012","","","","has coordinates","221115","2020-10-21","18:00:00",""
"4127965","43.246","0.004","9.1582","0.0009","30.563","0.003","90","","117.576","0.003","90","","10729.5","1.8","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61 H50 Co N3 -","- C61 H50 Co N3 -","- C488 H400 Co8 N24 -","8","1","","Baek, Yunjung; Hennessy, Elisabeth T.; Betley, Theodore A.","Direct Manipulation of Metal Imido Geometry: Key Principles to Enhance C-H Amination Efficacy.","Journal of the American Chemical Society","2019","141","42","16944","16953","10.1021/jacs.9b09015","","","0.71073","MoKα","","0.2244","0.1937","","","0.4041","0.4212","","","","","","1.144","","","","has coordinates,has disorder","221115","2020-10-21","18:00:00",""
"4127966","14.3745","0.0004","6.0487","0.0002","24.5776","0.0006","90","","90","","90","","2136.95","0.11","98","2","98","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C112 H96 N16 -","8","1","","Neff, Robynne K.; Su, Yong-Liang; Liu, Siqi; Rosado, Melina; Zhang, Xinhao; Doyle, Michael P.","Generation of Halomethyl Radicals by Halogen Atom Abstraction and Their Addition Reactions with Alkenes.","Journal of the American Chemical Society","2019","141","42","16643","16650","10.1021/jacs.9b05921","","x-ray","0.71073","MoKα","","0.0409","0.0392","","","0.0978","0.0991","","","","","","1.054","","","","has coordinates","221116","2020-10-21","18:00:00",""
"4127967","10.3031","0.0006","19.9676","0.0012","15.9668","0.0011","90","","97.155","0.002","90","","3259.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 Al N2 P -","- C34 H50 Al N2 P -","- C136 H200 Al4 N8 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.0852","0.0456","","","0.0954","0.1088","","","","","","1.025","","","","has coordinates","221117","2020-10-21","18:00:00",""
"4127968","10.8796","0.0008","19.0921","0.0013","17.8224","0.0013","90","","101.081","0.002","90","","3633","0.5","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Al N2 P -","- C40 H56 Al N2 P -","- C160 H224 Al4 N8 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.0731","0.0434","","","0.107","0.1218","","","","","","1.02","","","","has coordinates","221117","2020-10-21","18:00:00",""
"4127969","10.8256","0.0016","11.8327","0.0019","18.443","0.003","81.938","0.008","89.277","0.008","84.754","0.008","2329.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H78 Al N2 O P -","- C49 H78 Al N2 O P -","- C98 H156 Al2 N4 O2 P2 -","2","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.1344","0.067","","","0.1617","0.1929","","","","","","1.024","","","","has coordinates","221117","2020-10-21","18:00:00",""
"4127970","17.055","0.005","14.341","0.004","17.956","0.004","90","","101.073","0.009","90","","4310","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H67 Al N3 P -","- C47 H67 Al N3 P -","- C188 H268 Al4 N12 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.1426","0.0826","","","0.1955","0.229","","","","","","1.021","","","","has coordinates,has disorder","221117","2020-10-21","18:00:00",""
"4127971","14.2095","0.0013","18.7653","0.0018","20.5344","0.0016","90","","109.719","0.004","90","","5154.3","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H84 Al N4 P -","- C55 H84 Al N4 P -","- C220 H336 Al4 N16 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.1347","0.0605","","","0.1349","0.17","","","","","","0.967","","","","has coordinates,has disorder","221117","2020-10-21","18:00:00",""
"4127972","19.903","0.004","18.583","0.003","10.166","0.002","90","","90","","90","","3760","1.2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H56.25 Al N2 P Se -","- C40 H56 Al N2 P Se -","- C160 H224 Al4 N8 P4 Se4 -","4","0.5","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.0907","0.0523","","","0.125","0.146","","","","","","1.042","","","","has coordinates","221117","2020-10-21","18:00:00",""
"4127973","20.879","0.004","20.184","0.004","10.7723","0.0015","90","","90","","90","","4539.7","1.4","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C53 H66 Al N2 O P -","- C53 H66 Al N2 O P -","- C212 H264 Al4 N8 O4 P4 -","4","0.5","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.0687","0.0437","","","0.1032","0.1207","","","","","","0.878","","","","has coordinates,has disorder","221117","2020-10-21","18:00:00",""
"4127974","33.78","0.03","12.772","0.011","22.14","0.03","90","","90","","90","","9552","18","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C55 H68 Al N2 O P -","- C55 H68 Al N2 O P -","- C440 H544 Al8 N16 O8 P8 -","8","2","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.1543","0.0847","","","0.1939","0.2354","","","","","","1.017","","","","has coordinates,has disorder","221117","2020-10-21","18:00:00",""
"4127975","27.6729","0.0016","11.0531","0.0005","33.7785","0.0016","90","","103.962","0.003","90","","10026.6","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56.5 H72 Al N4 P -","- C56.5 H72 Al N4 P -","- C452 H576 Al8 N32 P8 -","8","2","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.1447","0.0756","","","0.1508","0.1855","","","","","","1.117","","","","has coordinates","221117","2020-10-21","18:00:00",""
"4127976","31.6822","0.0004","23.4638","0.0002","27.1118","0.0004","90","","90","","90","","20154.5","0.4","100.01","0.1","100.01","0.1","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H80 O110 Zr25 -","- H80 O110 Zr25 -","- H320 O440 Zr100 -","4","0.25","","Sommers, James A.; Hutchison, Danielle C.; Martin, Nicolas P.; Kozma, Karoly; Keszler, Douglas A.; Nyman, May","Peroxide-Promoted Disassembly Reassembly of Zr-Polyoxocations.","Journal of the American Chemical Society","2019","141","42","16894","16902","10.1021/jacs.9b08627","","x-ray","0.71073","MoKα","","0.0525","0.0484","","","0.1614","0.1645","","","","","","1.049","","","","has coordinates,has disorder","221118","2020-10-21","18:00:00",""
"4127977","10.4563","0.0003","21.6794","0.0006","17.1366","0.0004","90","","90.832","0.001","90","","3884.22","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl6 H36 O49 Zr4 -","- Cl6 H36 O49 Zr4 -","- Cl24 H144 O196 Zr16 -","4","1","","Sommers, James A.; Hutchison, Danielle C.; Martin, Nicolas P.; Kozma, Karoly; Keszler, Douglas A.; Nyman, May","Peroxide-Promoted Disassembly Reassembly of Zr-Polyoxocations.","Journal of the American Chemical Society","2019","141","42","16894","16902","10.1021/jacs.9b08627","","","1.54178","CuKα","","0.0396","0.0333","","","0.0788","0.0818","","","","","","1.047","","","","has coordinates","221119","2020-10-21","18:00:00",""
"4127978","16.7157","0.0005","16.7157","0.0005","27.2185","0.001","90","","90","","90","","7605.2","0.4","171","","171","","","","","","","","","4","I 4/m","-I 4","87","","","","- Cl24.02 H96 O168.11 Zr12 -","- Cl24.0264 O168.106 Zr12 -","- Cl48.0528 O336.211 Zr24 -","2","0.125","","Sommers, James A.; Hutchison, Danielle C.; Martin, Nicolas P.; Kozma, Karoly; Keszler, Douglas A.; Nyman, May","Peroxide-Promoted Disassembly Reassembly of Zr-Polyoxocations.","Journal of the American Chemical Society","2019","141","42","16894","16902","10.1021/jacs.9b08627","","","1.54178","CuKα","","0.0963","0.0729","","","0.2106","0.2322","","","","","","1.041","","","","has coordinates,has disorder","221120","2020-10-21","18:00:00",""
"4127979","10.4082","0.0001","13.6167","0.0001","18.5933","0.0002","90","","90","","90","","2635.14","0.04","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 F N O2 S -","- C32 H24 F N O2 S -","- C128 H96 F4 N4 O8 S4 -","4","1","","Hong, Feng-Lin; Wang, Ze-Shu; Wei, Dong-Dong; Zhai, Tong-Yi; Deng, Guo-Cheng; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Generation of Donor/Donor Copper Carbenes through Copper-Catalyzed Diyne Cyclization: Enantioselective and Divergent Synthesis of Chiral Polycyclic Pyrroles.","Journal of the American Chemical Society","2019","141","42","16961","16970","10.1021/jacs.9b09303","","x-ray","1.54184","CuKα","","0.0328","0.0311","","","0.0862","0.0877","","","","","","1.051","","","","has coordinates","221121","2020-10-21","18:00:00",""
"4127980","5.477","0.0002","17.2742","0.0005","22.007","0.0006","90","","90","","90","","2082.1","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Br N O3 S -","- C24 H18 Br N O3 S -","- C96 H72 Br4 N4 O12 S4 -","4","1","","Hong, Feng-Lin; Wang, Ze-Shu; Wei, Dong-Dong; Zhai, Tong-Yi; Deng, Guo-Cheng; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Generation of Donor/Donor Copper Carbenes through Copper-Catalyzed Diyne Cyclization: Enantioselective and Divergent Synthesis of Chiral Polycyclic Pyrroles.","Journal of the American Chemical Society","2019","141","42","16961","16970","10.1021/jacs.9b09303","","x-ray","1.54184","CuKα","","0.0448","0.042","","","0.1114","0.1163","","","","","","1.051","","","","has coordinates","221122","2020-10-21","18:00:00",""
"4127981","30.9242","0.0009","13.3451","0.0004","16.9298","0.0005","90","","108.846","0.001","90","","6612.1","0.3","90","","90","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[LCo2K(C5H11N)2(MeO)2(MeOH)2](CF3SO3)(MeOH)2.5(Et2O)","","","- C61.5 H80 Co2 F3 K N6 O16.5 S -","- C61.5 H80 Co2 F3 K N6 O16.5 S -","- C246 H320 Co8 F12 K4 N24 O66 S4 -","4","0.5","","Sakata, Yoko; Tamiya, Munehiro; Okada, Masahiro; Akine, Shigehisa","Switching of <i>Recognition First</i> and <i>Reaction First</i> Mechanisms in Host-Guest Binding Associated with Chemical Reactions.","Journal of the American Chemical Society","2019","141","39","15597","15604","10.1021/jacs.9b06926","","","1.54178","CuKα","","0.0843","0.0718","","","0.1934","0.2059","","","","","","1.039","","","","has coordinates,has disorder","221123","2020-10-21","18:00:00",""
"4127982","10.137","0.0007","11.5336","0.0008","16.1693","0.0011","72.752","0.004","71.808","0.004","70.2","0.004","1650.9","0.2","93","","93","","","","","","","","","7","P -1","-P 1","2","[LCo2(pip)4](CF3SO3)2_2MeOH","","","- C64 H76 Co2 F6 N8 O14 S2 -","- C64 H76 Co2 F6 N8 O14 S2 -","- C64 H76 Co2 F6 N8 O14 S2 -","1","0.5","","Sakata, Yoko; Tamiya, Munehiro; Okada, Masahiro; Akine, Shigehisa","Switching of <i>Recognition First</i> and <i>Reaction First</i> Mechanisms in Host-Guest Binding Associated with Chemical Reactions.","Journal of the American Chemical Society","2019","141","39","15597","15604","10.1021/jacs.9b06926","","","1.54178","CuKα","","0.0594","0.0508","","","0.1302","0.1357","","","","","","1.035","","","","has coordinates","221124","2020-10-21","18:00:00",""
"4127983","20.5672","0.0012","15.4382","0.0009","19.5237","0.001","90","","106.945","0.004","90","","5930","0.6","90","","90","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[LCo2Na(C5H11N)2(MeO)2(MeOH)2](CF3SO3)(MeOH)2","","","- C57 H68 Co2 F3 N6 Na O15 S -","- C57 H68 Co2 F3 N6 Na O15 S -","- C228 H272 Co8 F12 N24 Na4 O60 S4 -","4","0.5","","Sakata, Yoko; Tamiya, Munehiro; Okada, Masahiro; Akine, Shigehisa","Switching of <i>Recognition First</i> and <i>Reaction First</i> Mechanisms in Host-Guest Binding Associated with Chemical Reactions.","Journal of the American Chemical Society","2019","141","39","15597","15604","10.1021/jacs.9b06926","","","1.54178","CuKα","","0.0805","0.0588","","","0.1518","0.1661","","","","","","1.042","","","","has coordinates,has disorder","221125","2020-10-21","18:00:00",""
"4127984","12.1658","0.0005","14.5252","0.0005","14.8017","0.0008","90","","109.073","0.002","90","","2472.03","0.19","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H41 Cl N2 O3 S -","- C22 H41 Cl N2 O3 S -","- C88 H164 Cl4 N8 O12 S4 -","4","1","","Mihai, Madalina T.; Williams, Benjamin D.; Phipps, Robert J.","<i>Para</i>-Selective C-H Borylation of Common Arene Building Blocks Enabled by Ion-Pairing with a Bulky Countercation.","Journal of the American Chemical Society","2019","141","39","15477","15482","10.1021/jacs.9b07267","","","1.54178","CuKα","","0.0374","0.035","","","0.0902","0.0916","","","","","","1.036","","","","has coordinates","221126","2020-10-21","18:00:00",""
"4127985","8.6478","0.0003","23.7341","0.0008","12.8671","0.0004","90","","95.869","0.002","90","","2627.1","0.15","180","2","180","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C23 H42 Br N O4 S -","- C23 H42 Br N O4 S -","- C92 H168 Br4 N4 O16 S4 -","4","2","","Mihai, Madalina T.; Williams, Benjamin D.; Phipps, Robert J.","<i>Para</i>-Selective C-H Borylation of Common Arene Building Blocks Enabled by Ion-Pairing with a Bulky Countercation.","Journal of the American Chemical Society","2019","141","39","15477","15482","10.1021/jacs.9b07267","","","1.54178","CuKα","","0.0713","0.0562","","","0.1272","0.1367","","","","","","1.02","","","","has coordinates","221127","2020-10-21","18:00:00",""
"4127986","10.0834","0.0006","15.2873","0.0008","17.347","0.0009","89.052","0.004","75.296","0.004","87.331","0.003","2583.6","0.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H43 Cl N2 O3 S -","- C23 H43 Cl N2 O3 S -","- C92 H172 Cl4 N8 O12 S4 -","4","2","","Mihai, Madalina T.; Williams, Benjamin D.; Phipps, Robert J.","<i>Para</i>-Selective C-H Borylation of Common Arene Building Blocks Enabled by Ion-Pairing with a Bulky Countercation.","Journal of the American Chemical Society","2019","141","39","15477","15482","10.1021/jacs.9b07267","","","1.54178","CuKα","","0.1898","0.117","","","0.2068","0.2452","","","","","","1.078","","","","has coordinates","221128","2020-10-21","18:00:00",""
"4127987","8.0632","0.0004","13.0863","0.0007","13.1906","0.0007","90","","101.107","0.002","90","","1365.77","0.12","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O7 -","- C15 H16 O7 -","- C60 H64 O28 -","4","1","","Novak, Alexander J. E.; Grigglestone, Claire E.; Trauner, Dirk","A Biomimetic Synthesis Elucidates the Origin of Preuisolactone A.","Journal of the American Chemical Society","2019","141","39","15515","15518","10.1021/jacs.9b08892","","","0.71073","MoKα","","0.0727","0.051","","","0.132","0.1474","","","","","","1.061","","","","has coordinates","221129","2020-10-21","18:00:00",""
"4127988","12.0929","0.0005","12.1407","0.0006","32.496","0.0015","84.6775","0.0016","82.833","0.0015","89.9763","0.0015","4713","0.4","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H40 I4 N2 S8 Sn -","- C40 H40 I4 N2 S8 Sn -","- C160 H160 I16 N8 S32 Sn4 -","4","4","","Gao, Yao; Wei, Zitang; Yoo, Pilsun; Shi, Enzheng; Zeller, Matthias; Zhu, Chenhui; Liao, Peilin; Dou, Letian","Highly Stable Lead-Free Perovskite Field-Effect Transistors Incorporating Linear π-Conjugated Organic Ligands.","Journal of the American Chemical Society","2019","141","39","15577","15585","10.1021/jacs.9b06276","","","1.54178","CuKα","","0.149","0.1375","","","0.3738","0.4125","","","","","","1.096","","","","has coordinates,has disorder","221130","2020-10-21","18:00:00",""
"4127989","8.6484","0.0005","8.6467","0.0005","32.461","0.002","85.1499","0.0017","85.1329","0.0018","89.5023","0.0016","2410","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 I8 N4 Sn2 -","- C32 H48 I8 N4 Sn2 -","- C64 H96 I16 N8 Sn4 -","2","1","","Gao, Yao; Wei, Zitang; Yoo, Pilsun; Shi, Enzheng; Zeller, Matthias; Zhu, Chenhui; Liao, Peilin; Dou, Letian","Highly Stable Lead-Free Perovskite Field-Effect Transistors Incorporating Linear π-Conjugated Organic Ligands.","Journal of the American Chemical Society","2019","141","39","15577","15585","10.1021/jacs.9b06276","","","0.71073","MoKα","","0.0365","0.0312","","","0.0814","0.0842","","","","","","1.221","","","","has coordinates,has disorder","221131","2020-10-21","18:00:00",""
"4127990","11.665","0.008","12.561","0.005","13.985","0.006","72.96","0.04","81.2","0.05","88.33","0.04","1935.9","1.8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H52 Mo O2 P2 -","- C45 H52 Mo O2 P2 -","- C90 H104 Mo2 O4 P4 -","2","1","","Buss, Joshua A.; Bailey, Gwendolyn A.; Oppenheim, Julius; VanderVelde, David G.; Goddard, 3rd, William A; Agapie, Theodor","CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone.","Journal of the American Chemical Society","2019","141","39","15664","15674","10.1021/jacs.9b07743","","","0.71073","MoKα","","0.0291","0.0224","","","0.0529","0.0554","","","","","","1.06","","","","has coordinates,has disorder","221132","2020-10-21","18:00:00",""
"4127991","13.1011","0.0008","13.0037","0.0008","19.0467","0.0012","90","","95.462","0.004","90","","3230.1","0.3","100","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H94 Cl2 Mo2 O2 P4 -","- C69 H94 Cl2 Mo2 O2 P4 -","- C138 H188 Cl4 Mo4 O4 P8 -","2","0.5","","Buss, Joshua A.; Bailey, Gwendolyn A.; Oppenheim, Julius; VanderVelde, David G.; Goddard, 3rd, William A; Agapie, Theodor","CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone.","Journal of the American Chemical Society","2019","141","39","15664","15674","10.1021/jacs.9b07743","","","0.71073","MoKα","","0.0492","0.0339","","","0.073","0.0774","","","","","","1.084","","","","has coordinates,has disorder","221132","2020-10-21","18:00:00",""
"4127992","12.469","0.006","12.592","0.005","23.363","0.011","91.78","0.03","104.66","0.02","102.92","0.03","3444","3","100","2","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C35.75 H45 Cl Mo O2 P2 -","- C35.75 H49 Cl Mo O2 P2 -","- C143 H196 Cl4 Mo4 O8 P8 -","4","2","","Buss, Joshua A.; Bailey, Gwendolyn A.; Oppenheim, Julius; VanderVelde, David G.; Goddard, 3rd, William A; Agapie, Theodor","CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone.","Journal of the American Chemical Society","2019","141","39","15664","15674","10.1021/jacs.9b07743","","","0.71073","MoKα","","0.0598","0.0399","","","0.0947","0.104","","","","","","1.024","","","","has coordinates,has disorder","221132","2020-10-21","18:00:00",""
"4127993","23.82","0.02","21.933","0.009","13.402","0.005","90","","116.5","0.02","90","","6266","6","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H42 Mo O P2 -","- C35.5 H46 Mo O P2 -","- C284 H368 Mo8 O8 P16 -","8","1","","Buss, Joshua A.; Bailey, Gwendolyn A.; Oppenheim, Julius; VanderVelde, David G.; Goddard, 3rd, William A; Agapie, Theodor","CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone.","Journal of the American Chemical Society","2019","141","39","15664","15674","10.1021/jacs.9b07743","","","1.54178","CuKα","","0.0379","0.0355","","","0.0996","0.1021","","","","","","1.075","","","","has coordinates,has disorder","221132","2020-10-21","18:00:00",""
"4127994","11.6736","0.0005","12.0522","0.0005","14.3227","0.0006","94.987","0.002","105.434","0.002","110.315","0.002","1785.4","0.14","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H55 Mo O P2 Si -","- C37 H55 Mo O P2 Si -","- C74 H110 Mo2 O2 P4 Si2 -","2","1","","Buss, Joshua A.; Bailey, Gwendolyn A.; Oppenheim, Julius; VanderVelde, David G.; Goddard, 3rd, William A; Agapie, Theodor","CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone.","Journal of the American Chemical Society","2019","141","39","15664","15674","10.1021/jacs.9b07743","","","0.71073","MoKα","","0.0412","0.0292","","","0.0692","0.0736","","","","","","1.044","","","","has coordinates","221132","2020-10-21","18:00:00",""
"4127995","6.8171","0.0005","13.2954","0.0009","18.339","0.0015","90","","90","","90","","1662.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N4 O2 S -","- C17 H20 N4 O2 S -","- C68 H80 N16 O8 S4 -","4","1","","Wang, Zhaofeng; Jiang, Liyin; Sarró, Pau; Suero, Marcos G.","Catalytic Cleavage of C(<i>sp</i><sup>2</sup>)-C(<i>sp</i><sup>2</sup>) Bonds with Rh-Carbynoids.","Journal of the American Chemical Society","2019","141","39","15509","15514","10.1021/jacs.9b08632","","","0.71073","MoKα","","0.055","0.0428","","","0.0945","0.1007","","","","","","1.014","","","","has coordinates","221133","2020-10-21","18:00:00",""
"4127996","9.0628","0.0013","9.3343","0.0014","18.632","0.003","92.924","0.004","100.635","0.004","93.078","0.005","1543.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 F3 I O9 S -","- C26 H36 F3 I O9 S -","- C52 H72 F6 I2 O18 S2 -","2","1","","Wang, Zhaofeng; Jiang, Liyin; Sarró, Pau; Suero, Marcos G.","Catalytic Cleavage of C(<i>sp</i><sup>2</sup>)-C(<i>sp</i><sup>2</sup>) Bonds with Rh-Carbynoids.","Journal of the American Chemical Society","2019","141","39","15509","15514","10.1021/jacs.9b08632","","","0.71073","MoKα","","0.0542","0.0397","","","0.1051","0.1142","","","","","","1.03","","","","has coordinates","221134","2020-10-21","18:00:00",""
"4127997","11.0815","0.0006","18.8668","0.001","8.1309","0.0005","90","","92.8933","0.0015","90","","1697.78","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 O5 -","- C19 H26 O5 -","- C76 H104 O20 -","4","1","","Wang, Zhaofeng; Jiang, Liyin; Sarró, Pau; Suero, Marcos G.","Catalytic Cleavage of C(<i>sp</i><sup>2</sup>)-C(<i>sp</i><sup>2</sup>) Bonds with Rh-Carbynoids.","Journal of the American Chemical Society","2019","141","39","15509","15514","10.1021/jacs.9b08632","","","0.71073","MoKα","","0.0591","0.0447","","","0.1131","0.122","","","","","","1.037","","","","has coordinates","221135","2020-10-21","18:00:00",""
"4127998","16.975","0.006","12.176","0.004","21.669","0.007","90","","104.674","0.006","90","","4333","3","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C104 H102 O10 S6 -","- C104 H102 O10 S6 -","- C208 H204 O20 S12 -","2","0.5","","Suginome, Shun; Sato, Hiroshi; Hori, Akihiro; Mishima, Akio; Harada, Yuki; Kusaka, Shinpei; Matsuda, Ryotaro; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo","One-Step Synthesis of an Adaptive Nanographene MOF: Adsorbed Gas-Dependent Geometrical Diversity.","Journal of the American Chemical Society","2019","141","39","15649","15655","10.1021/jacs.9b07732","","","0.71075","MoKα","","0.0925","0.077","","","0.1841","0.1972","","","","","","1.082","","","","has coordinates","221136","2020-10-21","18:00:00",""
"4127999","19.039","0.004","19.244","0.005","19.579","0.006","74.73","0.02","71.112","0.019","61.065","0.016","5890","3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C117.3 H119.66 N5.06 O10.5 Zn -","- C117.295 H119.649 N5.059 O10.5 Zn -","- C234.59 H239.298 N10.118 O21 Zn2 -","2","1","","Suginome, Shun; Sato, Hiroshi; Hori, Akihiro; Mishima, Akio; Harada, Yuki; Kusaka, Shinpei; Matsuda, Ryotaro; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo","One-Step Synthesis of an Adaptive Nanographene MOF: Adsorbed Gas-Dependent Geometrical Diversity.","Journal of the American Chemical Society","2019","141","39","15649","15655","10.1021/jacs.9b07732","","x-ray","0.71075","MoKα","","0.2057","0.1489","","","0.3903","0.4361","","","","","","1.231","","","","has coordinates,has disorder","221137","2020-10-21","18:00:00",""
"4128000","14.057","0.008","16.947","0.009","20.427","0.011","73.98","0.04","74.49","0.04","80.6","0.05","4486","4","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C97 H73 N O7 Zn -","- C97 H73 N O7 Zn -","- C194 H146 N2 O14 Zn2 -","2","1","","Suginome, Shun; Sato, Hiroshi; Hori, Akihiro; Mishima, Akio; Harada, Yuki; Kusaka, Shinpei; Matsuda, Ryotaro; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo","One-Step Synthesis of an Adaptive Nanographene MOF: Adsorbed Gas-Dependent Geometrical Diversity.","Journal of the American Chemical Society","2019","141","39","15649","15655","10.1021/jacs.9b07732","","x-ray","0.71075","MoKα","","0.2365","0.1741","","","0.4121","0.4674","","","","","","1.228","","","","has coordinates","221139","2020-10-21","18:00:00",""
"4128001","19.145","0.002","19.421","0.003","20.42","0.003","79.032","0.017","63.984","0.013","71.306","0.015","6452.2","1.8","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C92 H64 O4.76 Zn -","- C92 H64 O4.756 Zn -","- C184 H128 O9.512 Zn2 -","2","1","","Suginome, Shun; Sato, Hiroshi; Hori, Akihiro; Mishima, Akio; Harada, Yuki; Kusaka, Shinpei; Matsuda, Ryotaro; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo","One-Step Synthesis of an Adaptive Nanographene MOF: Adsorbed Gas-Dependent Geometrical Diversity.","Journal of the American Chemical Society","2019","141","39","15649","15655","10.1021/jacs.9b07732","","x-ray","0.71075","MoKα","","0.1956","0.1167","","","0.3285","0.3778","","","","","","0.978","","","","has coordinates,has disorder","221140","2020-10-21","18:00:00",""
"4128002","11.8219","0.0004","32.0035","0.0008","10.6169","0.0003","90","","115.515","0.004","90","","3625.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H61 Cl N6 Ru -","- C34 H61 Cl N6 Ru -","- C136 H244 Cl4 N24 Ru4 -","4","1","","Tan, Jin-Fay; Bormann, Carl T.; Perrin, Florian G.; Chadwick, F. Mark; Severin, Kay; Cramer, Nicolai","Divergent Synthesis of Densely Substituted Arenes and Pyridines via Cyclotrimerization Reactions of Alkynyl Triazenes.","Journal of the American Chemical Society","2019","141","26","10372","10383","10.1021/jacs.9b04111","","x-ray","1.54184","CuKα","","0.0329","0.0286","","","0.0707","0.0739","","","","","","1.049","","","","has coordinates","221141","2020-10-21","18:00:00",""
"4128003","9.0428","0.0005","11.1213","0.0006","18.9745","0.0014","85.417","0.005","84.226","0.005","66.447","0.005","1738.7","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H58 Cl2 N3 O0.5 Ru2 -","- C34 H58 Cl2 N3 O0.5 Ru2 -","- C68 H116 Cl4 N6 O Ru4 -","2","1","","Tan, Jin-Fay; Bormann, Carl T.; Perrin, Florian G.; Chadwick, F. Mark; Severin, Kay; Cramer, Nicolai","Divergent Synthesis of Densely Substituted Arenes and Pyridines via Cyclotrimerization Reactions of Alkynyl Triazenes.","Journal of the American Chemical Society","2019","141","26","10372","10383","10.1021/jacs.9b04111","","x-ray","1.54184","CuKα","","0.084","0.0799","","","0.2208","0.2239","","","","","","1.066","","","","has coordinates,has disorder","221142","2020-10-21","18:00:00",""
"4128004","17.78429","0.00017","12.32688","0.00014","10.75495","0.0001","90","","90","","90","","2357.75","0.04","100","0.1","100","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H38 Cl N3 Ru -","- C22 H38 Cl N3 Ru -","- C88 H152 Cl4 N12 Ru4 -","4","0.5","","Tan, Jin-Fay; Bormann, Carl T.; Perrin, Florian G.; Chadwick, F. Mark; Severin, Kay; Cramer, Nicolai","Divergent Synthesis of Densely Substituted Arenes and Pyridines via Cyclotrimerization Reactions of Alkynyl Triazenes.","Journal of the American Chemical Society","2019","141","26","10372","10383","10.1021/jacs.9b04111","","x-ray","1.54184","CuKα","","0.032","0.0315","","","0.0765","0.0768","","","","","","1.068","","","","has coordinates,has disorder","221143","2020-10-21","18:00:00",""
"4128005","14.9596","0.0005","5.7704","0.0002","18.2738","0.0005","90","","93.348","0.002","90","","1574.75","0.09","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","Soni, Vineet Kumar; Hwang, Ho Seong; Moon, Yu Kyung; Park, Sung-Woo; You, Youngmin; Cho, Eun Jin","Generation of N-Centered Radicals via a Photocatalytic Energy Transfer: Remote Double Functionalization of Arenes Facilitated by Singlet Oxygen.","Journal of the American Chemical Society","2019","141","26","10538","10545","10.1021/jacs.9b05572","","","0.71073","MoKα","","0.0812","0.0451","","","0.1228","0.1506","","","","","","0.838","","","","has coordinates","221144","2020-10-21","18:00:00",""
"4128006","11.5046","0.0004","6.2472","0.0002","24.1703","0.0008","90","","103.232","0.002","90","","1691.04","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","","Soni, Vineet Kumar; Hwang, Ho Seong; Moon, Yu Kyung; Park, Sung-Woo; You, Youngmin; Cho, Eun Jin","Generation of N-Centered Radicals via a Photocatalytic Energy Transfer: Remote Double Functionalization of Arenes Facilitated by Singlet Oxygen.","Journal of the American Chemical Society","2019","141","26","10538","10545","10.1021/jacs.9b05572","","","0.71073","MoKα","","0.0933","0.0568","","","0.1414","0.1552","","","","","","1.365","","","","has coordinates","221145","2020-10-21","18:00:00",""
"4128007","11.3128","0.0007","28.029","0.002","12.5915","0.0009","90","","92.095","0.003","90","","3989.9","0.5","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Py4DMBCuOTf2","Py4DMBCuOTf2","","- C36 H34 Cu F6 N4 O10 S2 -","- C36 H34 Cu F6 N4 O10 S2 -","- C144 H136 Cu4 F24 N16 O40 S8 -","4","1","","Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu","Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center.","Journal of the American Chemical Society","2019","141","26","10159","10164","10.1021/jacs.9b03635","","x-ray","0.71073","MoKα","","0.0391","0.0341","","","0.0797","0.0825","","","","","","1.085","","","","has coordinates","221146","2020-10-21","18:00:00",""
"4128008","12.7591","0.0008","18.1984","0.0011","24.8985","0.0014","91.008","0.002","93.058","0.002","93.513","0.002","5761","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C103.49 H58.97 B2 Cl0.51 Cu2 F48 N4 O2.74 -","- C103.478 H58.956 B2 Cl0.522 Cu2 F48 N4 O2.739 -","- C206.956 H117.912 B4 Cl1.044 Cu4 F96 N8 O5.478 -","2","1","","Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu","Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center.","Journal of the American Chemical Society","2019","141","26","10159","10164","10.1021/jacs.9b03635","","x-ray","0.71073","MoKα","","0.0759","0.0484","","","0.1138","0.1327","","","","","","1.02","","","","has coordinates,has disorder","221147","2020-10-21","18:00:00",""
"4128009","12.8267","0.0006","16.729","0.0009","18.0934","0.0009","102.584","0.002","97.674","0.002","91.056","0.002","3750.7","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H37 B Cu2 F30 N4 O2 -","- C68 H37 B Cu2 F30 N4 O2 -","- C136 H74 B2 Cu4 F60 N8 O4 -","2","1","","Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu","Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center.","Journal of the American Chemical Society","2019","141","26","10159","10164","10.1021/jacs.9b03635","","x-ray","0.71073","MoKα","","0.0474","0.0371","","","0.097","0.1051","","","","","","1.021","","","","has coordinates,has disorder","221148","2020-10-21","18:00:00",""
"4128010","12.6825","0.0015","17.1535","0.0019","17.278","0.002","61.744","0.003","77.29","0.004","85.224","0.004","3228.8","0.7","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C108 H78 B2 Cu2 F48 N5 O8 -","- C108 H40 B2 Cu2 F48 N5 O7.598 -","- C108 H40 B2 Cu2 F48 N5 O7.598 -","1","0.5","","Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu","Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center.","Journal of the American Chemical Society","2019","141","26","10159","10164","10.1021/jacs.9b03635","","x-ray","0.71073","MoKα","","0.1531","0.1087","","","0.2789","0.3026","","","","","","1.026","","","","has coordinates,has disorder","221149","2020-10-21","18:00:00",""
"4128011","35.132","0.004","10.4087","0.001","14.2824","0.0015","90","","109.398","0.004","90","","4926.3","0.9","100","","100","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C36 H34 Cu2 F6 N5 O12 S2 -","- C35.999 H33.999 Cu2 F6 N5 O12 S2 -","- C143.996 H135.996 Cu8 F24 N20 O48 S8 -","4","0.5","","Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu","Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center.","Journal of the American Chemical Society","2019","141","26","10159","10164","10.1021/jacs.9b03635","","x-ray","0.71073","MoKα","","0.0803","0.0592","","","0.1473","0.1606","","","","","","1.029","","","","has coordinates,has disorder","221150","2020-10-21","18:00:00",""
"4128012","19.6283","0.0005","10.3255","0.0004","20.5481","0.0006","90","","98.061","0.002","90","","4123.4","0.2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H102 F6 Fe2 N10 O10 S2 -","- C81 H102 F6 Fe2 N10 O10 S2 -","- C162 H204 F12 Fe4 N20 O20 S4 -","2","0.5","","Yadav, Vishal; Gordon, Jesse B.; Siegler, Maxime A.; Goldberg, David P.","Dioxygen-Derived Nonheme Mononuclear Fe<sup>III</sup>(OH) Complex and Its Reactivity with Carbon Radicals.","Journal of the American Chemical Society","2019","141","26","10148","10153","10.1021/jacs.9b03329","","","0.71073","MoKα","","0.0526","0.0444","","","0.1031","0.1075","","","","","","1.091","","","","has coordinates,has disorder","221151","2020-10-21","18:00:00",""
"4128013","10.0166","0.0003","10.6374","0.0004","18.2471","0.0006","80.928","0.003","79.036","0.003","79.746","0.003","1862.77","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H46 F3 Fe N5 O4 S -","- C37 H46 F3 Fe N5 O4 S -","- C74 H92 F6 Fe2 N10 O8 S2 -","2","1","","Yadav, Vishal; Gordon, Jesse B.; Siegler, Maxime A.; Goldberg, David P.","Dioxygen-Derived Nonheme Mononuclear Fe<sup>III</sup>(OH) Complex and Its Reactivity with Carbon Radicals.","Journal of the American Chemical Society","2019","141","26","10148","10153","10.1021/jacs.9b03329","","","0.71073","MoKα","","0.0653","0.0394","","","0.0695","0.0732","","","","","","0.812","","","","has coordinates,has disorder","221152","2020-10-21","18:00:00",""
"4128014","6.7928","0.0005","12.0154","0.0008","25.9101","0.0019","90","","90","","90","","2114.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 Cl N O -","- C11 H12 Cl N O -","- C88 H96 Cl8 N8 O8 -","8","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.71073","MoKα","","0.1135","0.0663","","","0.1164","0.131","","","","","","1.161","","","","has coordinates","221153","2020-10-21","18:00:00",""
"4128015","12.818","0.003","14.861","0.003","35.425","0.007","90","","90.91","0.03","90","","6747","2","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64.82 H48.65 B Cl1.65 F24 Ir N3 O3 -","- C64.822 H48.644 B Cl1.644 F24 Ir N3 O3 -","- C259.288 H194.576 B4 Cl6.576 F96 Ir4 N12 O12 -","4","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.67","synchrotron","","0.1008","0.0523","","","0.1372","0.1563","","","","","","0.998","","","","has coordinates,has disorder","221154","2020-10-21","18:00:00",""
"4128016","12.123","0.002","8.799","0.0018","10.357","0.002","90","","111.01","0.03","90","","1031.3","0.4","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 Cl N O -","- C9 H16 Cl N O -","- C36 H64 Cl4 N4 O4 -","4","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.73","synchrotron","","0.0894","0.0721","","","0.2189","0.2369","","","","","","1.184","","","","has coordinates","221155","2020-10-21","18:00:00",""
"4128017","9.81","0.007","8.792","0.007","14.514","0.012","90","","99.86","0.02","90","","1233.3","1.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.71073","MoKα","","0.1481","0.0663","","","0.1254","0.1582","","","","","","1.057","","","","has coordinates","221156","2020-10-21","18:00:00",""
"4128018","24.474","0.005","5.415","0.0011","23.818","0.005","90","","93.99","0.03","90","","3148.9","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C144 H144 Cl8 N8 O8 -","8","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.68","synchrotron","","0.0555","0.0472","","","0.1421","0.147","","","","","","1.154","","","","has coordinates","221157","2020-10-21","18:00:00",""
"4128019","15.338","0.003","16.668","0.003","17.312","0.003","63.37","0.03","73.01","0.03","78.05","0.03","3768.7","1.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H46 B F24 Ir N2 O3 -","- C63 H46 B F24 Ir N2 O3 -","- C126 H92 B2 F48 Ir2 N4 O6 -","2","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.7","synchrotron","","0.0404","0.0365","","","0.1062","0.1077","","","","","","1.214","","","","has coordinates,has disorder","221158","2020-10-21","18:00:00",""
"4128020","13.0708","0.0014","13.5823","0.0014","20.067","0.002","76.785","0.003","80.821","0.003","88.791","0.003","3423.3","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H46 B F24 Ir N2 O3 -","- C63 H46 B F24 Ir N2 O3 -","- C126 H92 B2 F48 Ir2 N4 O6 -","2","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.71073","MoKα","","0.108","0.0621","","","0.1262","0.1595","","","","","","1.118","","","","has coordinates,has disorder","221159","2020-10-21","18:00:00",""
"4128021","16.012","0.003","15.318","0.003","5.595","0.0011","90","","90","","90","","1372.3","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C68 H64 Cl4 N4 O4 -","4","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.73","synchrotron","","0.0449","0.0428","","","0.1125","0.1142","","","","","","1.094","","","","has coordinates","221160","2020-10-21","18:00:00",""
"4128022","13.756","0.003","15.303","0.003","16.367","0.003","75.85","0.03","80.74","0.03","77.93","0.03","3245","1.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H47 B F24 Ir N3 O3 -","- C64 H47 B F24 Ir N3 O3 -","- C128 H94 B2 F48 Ir2 N6 O6 -","2","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.75","synchrotron","","0.0452","0.0419","","","0.1156","0.1173","","","","","","1.113","","","","has coordinates,has disorder","221161","2020-10-21","18:00:00",""
"4128023","18.3325","0.0005","9.5102","0.0003","20.9624","0.0005","90","","95.6799","0.0014","90","","3636.76","0.17","100","","99.92","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 B F4 N2 O Pd -","- C20 H15 B F4 N2 O Pd -","- C160 H120 B8 F32 N16 O8 Pd8 -","8","1","","Jaworski, Jonathan N.; Kozack, Caitlin V.; Tereniak, Stephen J.; Knapp, Spring Melody M.; Landis, Clark R.; Miller, Jeffrey T.; Stahl, Shannon S.","Operando Spectroscopic and Kinetic Characterization of Aerobic Allylic C-H Acetoxylation Catalyzed by Pd(OAc)<sub>2</sub>/4,5-Diazafluoren-9-one.","Journal of the American Chemical Society","2019","141","26","10462","10474","10.1021/jacs.9b04699","","","0.71073","MoKα","","0.0501","0.0442","","","0.103","0.1058","","","","","","1.2","","","","has coordinates,has disorder","221162","2020-10-21","18:00:00",""
"4128024","9.804","0.003","13.105","0.003","16.366","0.005","90","","90","","90","","2102.7","1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O4 Pd2 -","- C22 H24 O4 Pd2 -","- C88 H96 O16 Pd8 -","4","1","","Jaworski, Jonathan N.; Kozack, Caitlin V.; Tereniak, Stephen J.; Knapp, Spring Melody M.; Landis, Clark R.; Miller, Jeffrey T.; Stahl, Shannon S.","Operando Spectroscopic and Kinetic Characterization of Aerobic Allylic C-H Acetoxylation Catalyzed by Pd(OAc)<sub>2</sub>/4,5-Diazafluoren-9-one.","Journal of the American Chemical Society","2019","141","26","10462","10474","10.1021/jacs.9b04699","","x-ray","0.71073","MoKα","","0.0307","0.027","","","0.0636","0.0646","","","","","","1.036","","","","has coordinates,has disorder","221162","2020-10-21","18:00:00",""
"4128025","8.21746","0.00018","24.3054","0.0005","7.85743","0.00016","90","","107.053","0.002","90","","1500.36","0.06","123","","123","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 -","- C46 H34 -","- C92 H68 -","2","0.5","","Konishi, Akihito; Horii, Koki; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Open-Shell and Antiaromatic Character Induced by the Highly Symmetric Geometry of the Planar Heptalene Structure: Synthesis and Characterization of a Nonalternant Isomer of Bisanthene.","Journal of the American Chemical Society","2019","141","26","10165","10170","10.1021/jacs.9b04080","","","1.54187","CuKα","","0.0466","0.043","","","0.1055","0.1082","","","","","","1.039","","","","has coordinates","221163","2020-10-21","18:00:00",""
"4128026","28.2664","0.0009","8.0077","0.0002","18.2814","0.0005","90","","90.756","0.003","90","","4137.6","0.2","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C52 H46 B2 F8 -","- C52 H46 B2 F8 -","- C208 H184 B8 F32 -","4","0.5","","Konishi, Akihito; Horii, Koki; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Open-Shell and Antiaromatic Character Induced by the Highly Symmetric Geometry of the Planar Heptalene Structure: Synthesis and Characterization of a Nonalternant Isomer of Bisanthene.","Journal of the American Chemical Society","2019","141","26","10165","10170","10.1021/jacs.9b04080","","","0.71075","MoKα","","0.0883","0.0667","","","0.1654","0.1788","","","","","","1.044","","","","has coordinates","221164","2020-10-21","18:00:00",""
"4128027","8.3096","0.0002","13.4671","0.0005","13.8293","0.0004","93.309","0.003","91.851","0.002","91.515","0.002","1543.58","0.08","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H36 O2 -","- C46 H36 O2 -","- C92 H72 O4 -","2","1","","Konishi, Akihito; Horii, Koki; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Open-Shell and Antiaromatic Character Induced by the Highly Symmetric Geometry of the Planar Heptalene Structure: Synthesis and Characterization of a Nonalternant Isomer of Bisanthene.","Journal of the American Chemical Society","2019","141","26","10165","10170","10.1021/jacs.9b04080","","","1.54187","CuKα","","0.0503","0.0458","","","0.1239","0.1284","","","","","","1.058","","","","has coordinates","221165","2020-10-21","18:00:00",""
"4128028","9.4519","0.0002","16.7889","0.0003","16.9365","0.0003","90","","101.674","0.0007","90","","2632","0.09","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 B N3 O8 -","- C29 H30 B N3 O8 -","- C116 H120 B4 N12 O32 -","4","1","","Dennis, David G.; Okumura, Mikiko; Sarlah, David","Synthesis of (±)-Idarubicinone via Global Functionalization of Tetracene.","Journal of the American Chemical Society","2019","141","26","10193","10198","10.1021/jacs.9b05370","","x-ray","1.54178","CuKα","","0.0489","0.0359","","","0.0773","0.0831","","","","","","1.033","","","","has coordinates,has disorder","221166","2020-10-21","18:00:00",""
"4128029","15.5798","0.0003","13.7634","0.0002","17.7218","0.0003","90","","100.257","0.001","90","","3739.37","0.11","100","","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 B N3 O4 -","- C19 H24 B N3 O4 -","- C152 H192 B8 N24 O32 -","8","2","","Dennis, David G.; Okumura, Mikiko; Sarlah, David","Synthesis of (±)-Idarubicinone via Global Functionalization of Tetracene.","Journal of the American Chemical Society","2019","141","26","10193","10198","10.1021/jacs.9b05370","","x-ray","0.71073","MoKα","","0.0441","0.0361","","","0.0937","0.1032","","","","","","1.066","","","","has coordinates,has disorder","221167","2020-10-21","18:00:00",""
"4128030","4.5946","0.0004","4.5946","0.0004","8.0512","0.001","90","","90","","90","","169.96","0.03","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Hg Li O4 P -","- Hg Li O4 P -","- Hg2 Li2 O8 P2 -","2","0.25","","Wu, Bao-Lin; Hu, Chun-Li; Mao, Fei-Fei; Tang, Ru-Ling; Mao, Jiang-Gao","Highly Polarizable Hg<sup>2+</sup> Induced a Strong Second Harmonic Generation Signal and Large Birefringence in LiHgPO<sub>4</sub>.","Journal of the American Chemical Society","2019","141","26","10188","10192","10.1021/jacs.9b05125","","","0.71073","MoKα","","0.0337","0.029","","","0.0522","0.0576","","","","","","1.014","","","","has coordinates","221168","2020-10-21","18:00:00",""
"4128031","14.819","0.003","35.924","0.003","45.003","0.002","90","","90","","90","","23958","5","100","10","100","10","","","","","","","","4","F m m m","-F 2 2","69","","","","- C56 H30 O16 Zr3 -","- C56 H30 O16 Zr3 -","- C448 H240 O128 Zr24 -","8","0.25","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","","1.54184","CuKα","","0.1513","0.0766","","","0.2052","0.2531","","","","","","0.754","","","","has coordinates","221169","2020-10-21","18:00:00",""
"4128032","50.5058","0.0008","50.5058","0.0008","14.8247","0.0006","90","","90","","120","","32749.1","1.5","293","2","293","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C56 H30 O16 Zr3 -","- C56 H30 O16 Zr3 -","- C336 H180 O96 Zr18 -","6","0.25","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","x-ray","1.54184","CuKα","","0.0692","0.0541","","","0.1522","0.1635","","","","","","0.956","","","","has coordinates","221169","2020-10-21","18:00:00",""
"4128033","23.0014","0.0004","23.0014","0.0004","18.5185","0.0005","90","","90","","120","","8484.9","0.3","100","2","100","2","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- C168 H90 O24 Zr9 -","- C168 H90 O24 Zr9 -","- C168 H90 O24 Zr9 -","1","0.0833333","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","","1.54178","CuKα","","0.1621","0.1346","","","0.3079","0.3414","","","","","","0.994","","","","has coordinates","221169","2020-10-21","18:00:00",""
"4128034","22.3176","0.0005","22.3176","0.0005","38.8607","0.0008","90","","90","","90","","19355.6","0.7","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C62 H24 O16 Zr3 -","- C62 H24 O16 Zr3 -","- C248 H96 O64 Zr12 -","4","0.25","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","x-ray","1.54184","CuKα","","0.1153","0.0512","","","0.1417","0.1649","","","","","","0.794","","","","has coordinates","221169","2020-10-21","18:00:00",""
"4128035","19.721","0.005","31.9499","0.0015","34.865","0.0015","90","","90","","90","","21968","6","99.97","0.14","99.97","0.14","","","","","","","","4","F m m m","-F 2 2","69","","","","- C40 H22 O16 Zr3 -","- C40 H22 O16 Zr3 -","- C320 H176 O128 Zr24 -","8","0.25","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","x-ray","0.71","MoKα","","0.141","0.1076","","","0.2795","0.3029","","","","","","0.938","","","","has coordinates","221169","2020-10-21","18:00:00",""
"4128036","21.1397","0.0009","32.4825","0.0008","33.8974","0.0009","90","","90","","90","","23276.3","1.3","100","0.1","100","0.1","","","","","","","","4","F m m m","-F 2 2","69","","","","- C184 H136 O64 Zr12 -","- C184 H136 O64 Zr12 -","- C368 H272 O128 Zr24 -","2","0.0625","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","x-ray","1.54184","CuKα","","0.0726","0.0654","","","0.1664","0.1716","","","","","","0.965","","","","has coordinates,has disorder","221169","2020-10-21","18:00:00",""
"4128037","35.725","0.002","35.725","0.002","15.2666","0.0008","90","","90","","90","","19484.4","1.8","30","2","30","2","","","","","","","","10","P 4/m m m","-P 4 2","123","","","","- C101 H174 Au2 Cl3 Cu6 N20 Ni4 O77.5 Pd2 S -","- C81 H60 Au2 Cu6 N20 Ni4 O50 Pd2 S -","- C324 H240 Au8 Cu24 N80 Ni16 O200 Pd8 S4 -","4","0.25","","Adam, Rosa; Mon, Marta; Greco, Rossella; Kalinke, Lucas H. G.; Vidal-Moya, Alejandro; Fernandez, Antonio; Winpenny, Richard E. P.; Doménech-Carbó, Antonio; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio; Ferrando-Soria, Jesús","Self-Assembly of Catalytically Active Supramolecular Coordination Compounds within Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10350","10360","10.1021/jacs.9b03914","","","0.6889","Synchrotron","","0.4234","0.3098","","","0.6579","0.6865","","","","","","1.911","","","","has coordinates","221170","2020-10-21","18:00:00",""
"4128038","35.258","0.01","35.258","0.01","15.119","0.004","90","","90","","90","","18795","9","90","2","90","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C80.75 H139.75 Cu6 N15.25 Ni4 O70.75 Pd2 -","- C88.5 Cu6 N16 Ni4 O53 Pd2 -","- C354 Cu24 N64 Ni16 O212 Pd8 -","4","0.25","","Adam, Rosa; Mon, Marta; Greco, Rossella; Kalinke, Lucas H. G.; Vidal-Moya, Alejandro; Fernandez, Antonio; Winpenny, Richard E. P.; Doménech-Carbó, Antonio; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio; Ferrando-Soria, Jesús","Self-Assembly of Catalytically Active Supramolecular Coordination Compounds within Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10350","10360","10.1021/jacs.9b03914","","","0.71073","MoKα","","0.2052","0.1275","","","0.3501","0.3816","","","","","","1.158","","","","has coordinates","221171","2020-10-21","18:00:00",""
"4128039","35.7158","0.0002","35.7158","0.0002","15.1495","0.0001","90","","90","","90","","19325","0.2","30","2","30","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C84 H163 Cu6 N16 Ni4 O81 Pd2 -","- C84 H62 Cu6 N16 Ni4 O58 Pd2 -","- C336 H248 Cu24 N64 Ni16 O232 Pd8 -","4","0.25","","Adam, Rosa; Mon, Marta; Greco, Rossella; Kalinke, Lucas H. G.; Vidal-Moya, Alejandro; Fernandez, Antonio; Winpenny, Richard E. P.; Doménech-Carbó, Antonio; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio; Ferrando-Soria, Jesús","Self-Assembly of Catalytically Active Supramolecular Coordination Compounds within Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10350","10360","10.1021/jacs.9b03914","","","0.6889","Synchrotron","","0.2909","0.1256","","","0.4038","0.4428","","","","","","1.036","","","","has coordinates","221172","2020-10-21","18:00:00",""
"4128040","18.4103","0.0012","23.0536","0.0015","15.5199","0.001","90","","103.463","0.002","90","","6406","0.7","100","2","100.03","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H79 B4 Cu3 F16 N15 O3.25 -","- C46 H79 B4 Cu3 F16 N15 O3.25 -","- C184 H316 B16 Cu12 F64 N60 O13 -","4","1","","Yang, Luming; He, Xin; Dincă, Mircea","Triphenylene-Bridged Trinuclear Complexes of Cu: Models for Spin Interactions in Two-Dimensional Electrically Conductive Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10475","10480","10.1021/jacs.9b04822","","","0.71073","MoKα","","0.1023","0.0839","","","0.2508","0.2646","","","","","","1.034","","","","has coordinates,has disorder","221173","2020-10-21","18:00:00",""
"4128041","16.8057","0.0012","17.2937","0.0011","24.2896","0.0015","83.698","0.002","80.855","0.002","68.665","0.002","6481.6","0.7","100","2","99.99","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H71 B3 Cl Cu3 F12 N9 O6 -","- C46 H71 B3 Cl Cu3 F12 N9 O6 -","- C184 H284 B12 Cl4 Cu12 F48 N36 O24 -","4","2","","Yang, Luming; He, Xin; Dincă, Mircea","Triphenylene-Bridged Trinuclear Complexes of Cu: Models for Spin Interactions in Two-Dimensional Electrically Conductive Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10475","10480","10.1021/jacs.9b04822","","","0.71073","MoKα","","0.0743","0.0592","","","0.1646","0.1783","","","","","","1.027","","","","has coordinates,has disorder","221174","2020-10-21","18:00:00",""
"4128042","20.7185","0.0005","9.3045","0.0001","12.4912","0.0003","90","","133.858","0.004","90","","1736.31","0.13","93.15","","93.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 F N O2 -","- C10 H10 F N O2 -","- C80 H80 F8 N8 O16 -","8","1","","Yu, Jin-Sheng; Espinosa, Miguel; Noda, Hidetoshi; Shibasaki, Masakatsu","Traceless Electrophilic Amination for the Synthesis of Unprotected Cyclic β-Amino Acids.","Journal of the American Chemical Society","2019","141","26","10530","10537","10.1021/jacs.9b05476","","x-ray","1.54184","CuKα","","0.0371","0.036","","","0.0934","0.0943","","","","","","1.049","","","","has coordinates","221175","2020-10-21","18:00:00",""
"4128043","9.2478","0.0002","11.722","0.0002","28.7901","0.0005","93.79","0.001","95.306","0.001","91.105","0.001","3099.74","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H79 Cl N6 Ni O2 -","- C76 H79 Cl N6 Ni O2 -","- C152 H158 Cl2 N12 Ni2 O4 -","2","1","","Carvalho, Mary-Ambre; Dekkiche, Hervé; Nagasaki, Mayumi; Kikkawa, Yoshihiro; Ruppert, Romain","Coordination-Driven Construction of Porphyrin Nanoribbons at a Highly Oriented Pyrolytic Graphite (HOPG)/Liquid Interface.","Journal of the American Chemical Society","2019","141","26","10137","10141","10.1021/jacs.9b02145","","","1.54178","CuKα","","0.0872","0.0686","","","0.18","0.1927","","","","","","1.043","","","","has coordinates","221176","2020-10-21","18:00:00",""
"4128044","9.7265","0.0006","10.2667","0.0006","9.8174","0.0006","90","","102.588","0.002","90","","956.79","0.1","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H20 I N3 O5 S -","- C17 H20 I N3 O5 S -","- C34 H40 I2 N6 O10 S2 -","2","1","","Trost, Barry M.; Xu, Shiyan; Sharif, Ehesan U.","New Catalytic Asymmetric Formation of Oxygen Heterocycles Bearing Nucleoside Bases at the Anomeric Carbon.","Journal of the American Chemical Society","2019","141","26","10199","10204","10.1021/jacs.9b06050","","","0.71073","MoKα","","0.023","0.0219","","","0.0527","0.0534","","","","","","1.035","","","","has coordinates","221177","2020-10-21","18:00:00",""
"4128045","21.246","0.0004","21.246","0.0004","58.2102","0.0012","90","","90","","120","","22755.4","0.8","93","2","93.15","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C170.68 H116.03 Ce0.5 Co4 N36 O17.67 Zn3 -","- C170.676 H116.028 Ce0.5 Co4 N36 O17.676 Zn3 -","- C682.704 H464.112 Ce2 Co16 N144 O70.704 Zn12 -","4","0.333333","","Ube, Hitoshi; Endo, Kenichi; Sato, Hiroyasu; Shionoya, Mitsuhiko","Synthesis of Hetero-multinuclear Metal Complexes by Site-Selective Redox Switching and Transmetalation on a Homo-multinuclear Complex.","Journal of the American Chemical Society","2019","141","26","10384","10389","10.1021/jacs.9b04123","","","1.54184","CuKα","","0.1272","0.0994","","","0.2993","0.323","","","","","","1.147","","","","has coordinates,has disorder","221178","2020-10-21","18:00:00",""
"4128046","7.8714","0.001","19.446","0.002","9.6231","0.0012","90","","113.622","0.001","90","","1349.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N6 -","- C16 H14 N6 -","- C64 H56 N24 -","4","1","","Vailonis, Kristina M.; Gnanasekaran, Karthikeyan; Powers, Xian B.; Gianneschi, Nathan C.; Jenkins, David M.","Elucidating the Growth of Metal-Organic Nanotubes Combining Isoreticular Synthesis with Liquid-Cell Transmission Electron Microscopy.","Journal of the American Chemical Society","2019","141","26","10177","10182","10.1021/jacs.9b04586","","","0.71073","MoKα","","0.0483","0.0379","","","0.0944","0.1027","","","","","","1.052","","","","has coordinates","221179","2020-10-21","18:00:00",""
"4128047","22.374","0.003","6.9783","0.0008","13.2425","0.0015","90","","90","","90","","2067.6","0.4","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H6 Br Cu N3 -","- C8 H6 Br Cu N3 -","- C64 H48 Br8 Cu8 N24 -","8","0.5","","Vailonis, Kristina M.; Gnanasekaran, Karthikeyan; Powers, Xian B.; Gianneschi, Nathan C.; Jenkins, David M.","Elucidating the Growth of Metal-Organic Nanotubes Combining Isoreticular Synthesis with Liquid-Cell Transmission Electron Microscopy.","Journal of the American Chemical Society","2019","141","26","10177","10182","10.1021/jacs.9b04586","","","0.7288","synchrotron","","0.0839","0.0713","","","0.2193","0.236","","","","","","1.135","","","","has coordinates","221180","2020-10-21","18:00:00",""
"4128048","14.8961","0.0004","12.6957","0.0005","18.6653","0.0008","90","","90","","90","","3529.9","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H16 N2 -","- C27 H16 N2 -","- C216 H128 N16 -","8","1","","Yen-Pon, Expédite; Champagne, Pier Alexandre; Plougastel, Lucie; Gabillet, Sandra; Thuéry, Pierre; Johnson, Mizuki; Muller, Gilles; Pieters, Grégory; Taran, Frédéric; Houk, K. N.; Audisio, Davide","Sydnone-Based Approach to Heterohelicenes through 1,3-Dipolar-Cycloadditions.","Journal of the American Chemical Society","2019","141","4","1435","1440","10.1021/jacs.8b11465","","","0.71073","MoKα","","0.0568","0.0431","","","0.0978","0.1029","","","","","","1.118","","","","has coordinates,has disorder","221181","2020-10-21","18:00:00",""
"4128049","16.6965","0.0011","5.8107","0.0004","18.3992","0.0013","90","","104.082","0.004","90","","1731.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 N2 -","- C27 H16 N2 -","- C108 H64 N8 -","4","1","","Yen-Pon, Expédite; Champagne, Pier Alexandre; Plougastel, Lucie; Gabillet, Sandra; Thuéry, Pierre; Johnson, Mizuki; Muller, Gilles; Pieters, Grégory; Taran, Frédéric; Houk, K. N.; Audisio, Davide","Sydnone-Based Approach to Heterohelicenes through 1,3-Dipolar-Cycloadditions.","Journal of the American Chemical Society","2019","141","4","1435","1440","10.1021/jacs.8b11465","","","0.71073","MoKα","","0.0793","0.0464","","","0.1025","0.1146","","","","","","1.02","","","","has coordinates","221181","2020-10-21","18:00:00",""
"4128050","4.9489","0.0002","12.6503","0.0004","23.4534","0.0008","90","","90","","90","","1468.3","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C84 H56 N8 -","4","1","","Yen-Pon, Expédite; Champagne, Pier Alexandre; Plougastel, Lucie; Gabillet, Sandra; Thuéry, Pierre; Johnson, Mizuki; Muller, Gilles; Pieters, Grégory; Taran, Frédéric; Houk, K. N.; Audisio, Davide","Sydnone-Based Approach to Heterohelicenes through 1,3-Dipolar-Cycloadditions.","Journal of the American Chemical Society","2019","141","4","1435","1440","10.1021/jacs.8b11465","","","0.71073","MoKα","","0.0433","0.0362","","","0.0934","0.0969","","","","","","1.064","","","","has coordinates,has disorder","221181","2020-10-21","18:00:00",""
"4128051","13.2803","0.0005","19.4633","0.0008","19.2148","0.0008","90","","97.5485","0.0014","90","","4923.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H59 F6 K N4 Ni O8 -","- C41 H59 F6 K N4 Ni O8 -","- C164 H236 F24 K4 N16 Ni4 O32 -","4","1","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.0482","0.0345","","","0.0783","0.0841","","","","","","1.023","","","","has coordinates,has disorder","221182","2020-10-21","18:00:00",""
"4128052","12.6072","0.0011","24.653","0.003","21.555","0.002","90","","94.932","0.005","90","","6674.6","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H71 F6 K N5 Ni O7 -","- C47 H71 F6 K N5 Ni O7 -","- C188 H284 F24 K4 N20 Ni4 O28 -","4","1","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.0488","0.0361","","","0.0826","0.09","","","","","","1.036","","","","has coordinates,has disorder","221183","2020-10-21","18:00:00",""
"4128053","18.0758","0.0008","13.725","0.0006","20.4222","0.0009","90","","90.014","0.003","90","","5066.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H67 F6 K N3 Ni O8 -","- C45 H67 F6 K N3 Ni O8 -","- C180 H268 F24 K4 N12 Ni4 O32 -","4","2","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.0709","0.0481","","","0.1006","0.1088","","","","","","1.017","","","","has coordinates,has disorder","221184","2020-10-21","18:00:00",""
"4128054","10.5729","0.0008","38.111","0.003","13.4355","0.0009","90","","104.692","0.002","90","","5236.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[iPr2NNF6]NiO2N2-K[2.2.2-Kryptofix]","","- C47 H71 F6 K N6 Ni O8 -","- C47 H71 F6 K N6 Ni O8 -","- C188 H284 F24 K4 N24 Ni4 O32 -","4","1","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.0962","0.0502","","","0.0886","0.0968","","","","","","1.039","","","","has coordinates","221185","2020-10-21","18:00:00",""
"4128055","11.6731","0.001","13.2679","0.0011","20.9329","0.0018","82.644","0.001","76.384","0.001","65.613","0.001","2868","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","{[iPr2NNF6]NiOH}2","","- C58 H72 F12 N4 Ni2 O2 -","- C58 H71.548 F12 N4 Ni2 O2 -","- C116 H143.096 F24 N8 Ni4 O4 -","2","1","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.0676","0.0442","","","0.0991","0.1089","","","","","","1.028","","","","has coordinates,has disorder","221186","2020-10-21","18:00:00",""
"4128056","13.5093","0.0009","16.6592","0.0011","13.9913","0.0009","90","","109.349","0.001","90","","2970.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[iPr2NNF6]NiNO","","- C29 H35 F6 N3 Ni O -","- C29 H35 F6 N3 Ni O -","- C116 H140 F24 N12 Ni4 O4 -","4","1","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.036","0.0283","","","0.0696","0.0734","","","","","","1.043","","","","has coordinates","221187","2020-10-21","18:00:00",""
"4128057","5.6684","0.0002","15.2524","0.0003","10.6654","0.0003","90","","92.016","0.003","90","","921.52","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 O2 S -","- C22 H22 O2 S -","- C44 H44 O4 S2 -","2","1","","Yan, Qiaozhi; Xiao, Guiying; Wang, Ying; Zi, Guofu; Zhang, Zhanbin; Hou, Guohua","Highly Efficient Enantioselective Synthesis of Chiral Sulfones by Rh-Catalyzed Asymmetric Hydrogenation.","Journal of the American Chemical Society","2019","141","4","1749","1756","10.1021/jacs.8b12657","","x-ray","1.54184","CuKα","","0.0372","0.0346","","","0.0849","0.0868","","","","","","1.037","","","","has coordinates","221188","2020-10-21","18:00:00",""
"4128058","21.2499","0.0007","21.2499","0.0007","15.2397","0.0006","90","","90","","120","","5959.7","0.4","250","","250","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.07 Co0.5 F6 Mn0.43 O4 -","- C17 H8 Ca0.065 Co0.5 F6 Mn0.435 O4 -","- C204 H96 Ca0.78 Co6 F72 Mn5.22 O48 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0795","0.0605","","","0.1502","0.1618","","","","","","1.003","","","","has coordinates,has disorder","221189","2020-10-21","18:00:00",""
"4128059","21.25","0.002","21.25","0.002","15.3379","0.0018","90","","90","","120","","5998.1","1.1","250","","250","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.21 Co0.27 F6 Mn0.29 O4.33 Zn0.23 -","- C17 H8 Ca0.205 Co0.27 F6 Mn0.295 O4.25 Zn0.23 -","- C204 H96 Ca2.46 Co3.24 F72 Mn3.54 O51 Zn2.76 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.1067","0.0635","","","0.1555","0.1818","","","","","","0.975","","","","has coordinates,has disorder","221190","2020-10-21","18:00:00",""
"4128060","21.2761","0.0012","21.2761","0.0012","15.1699","0.001","90","","90","","120","","5947","0.6","273","2","273.15","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Co0.1 F6 Mn0.5 O4.15 Zn0.4 -","- C17 H8 Co0.0995 F6 Mn0.5 O4.15 Zn0.4005 -","- C204 H96 Co1.194 F72 Mn6 O49.8 Zn4.806 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0322","0.0307","","","0.0918","0.0928","","","","","","1.168","","","","has coordinates,has disorder","221191","2020-10-21","18:00:00",""
"4128061","21.2639","0.0012","21.2639","0.0012","15.1083","0.0012","90","","90","","120","","5916.1","0.7","250","","250","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H0.08 Co0.48 F6 Mn0.35 O4 Zn0.17 -","- C17 H8 Co0.49 F6 Mn0.415 O4.25 Zn0.18 -","- C204 H96 Co5.88 F72 Mn4.98 O51 Zn2.16 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0791","0.0615","","","0.1574","0.1661","","","","","","1.053","","","","has coordinates,has disorder","221192","2020-10-21","18:00:00",""
"4128062","21.2824","0.0018","21.2824","0.0018","15.321","0.0014","90","","90","","120","","6009.8","0.9","296","2","296.15","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.21 Co0.12 F6 Mn0.29 O4 Zn0.38 -","- C17 H8 Ca0.215 Co0.115 F6 Mn0.285 O4 Zn0.385 -","- C204 H96 Ca2.58 Co1.38 F72 Mn3.42 O48 Zn4.62 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.1396","0.1315","","","0.306","0.3335","","","","","","1.655","","","","has coordinates,has disorder","221193","2020-10-21","18:00:00",""
"4128063","21.2423","0.0006","21.2423","0.0006","15.1282","0.0006","90","","90","","120","","5911.8","0.3","296","2","296.15","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Co0.36 F6 Mn0.49 O4.17 Zn0.14 -","- C17 H8 Co0.3625 F6 Mn0.4945 O4.16665 Zn0.1375 -","- C204 H96 Co4.35 F72 Mn5.934 O49.9998 Zn1.65 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0438","0.0394","","","0.1138","0.1173","","","","","","0.942","","","","has coordinates,has disorder","221194","2020-10-21","18:00:00",""
"4128064","21.2819","0.0009","21.2819","0.0009","15.1237","0.0008","90","","90","","120","","5932.1","0.5","250","","250","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H0.08 Co0.44 F6 Mn0.43 O4 Zn0.13 -","- C17 H8 Co0.371 F6 Mn0.5 O4.25 Zn0.129 -","- C204 H96 Co4.452 F72 Mn6 O51 Zn1.548 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0647","0.0535","","","0.1399","0.1488","","","","","","1.056","","","","has coordinates,has disorder","221195","2020-10-21","18:00:00",""
"4128065","21.2232","0.0006","21.2232","0.0006","15.1771","0.0006","90","","90","","120","","5920.3","0.3","250","","250","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.04 Co0.06 F6 Mn0.46 O4.5 Zn0.44 -","- C17 H8 Ca0.04 Co0.06 F6 Mn0.46 O4.5 Zn0.44 -","- C204 H96 Ca0.48 Co0.72 F72 Mn5.52 O54 Zn5.28 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0706","0.0589","","","0.1717","0.195","","","","","","1.064","","","","has coordinates,has disorder","221196","2020-10-21","18:00:00",""
"4128066","21.2716","0.0012","21.2716","0.0012","15.1756","0.0011","90","","90","","120","","5946.7","0.6","250","","250","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.07 Co0.27 F6 Mn0.43 O4.38 Zn0.23 -","- C17 H8 Ca0.065 Co0.27 F6 Mn0.435 O4.375 Zn0.23 -","- C204 H96 Ca0.78 Co3.24 F72 Mn5.22 O52.5 Zn2.76 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.085","0.0774","","","0.2006","0.2064","","","","","","1.618","","","","has coordinates,has disorder","221197","2020-10-21","18:00:00",""
"4128067","21.2398","0.0007","21.2398","0.0007","15.1793","0.0009","90","","90","","120","","5930.4","0.4","250","","250","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.08 Co0.14 F6 Mn0.5 O4.25 Zn0.36 -","- C17 H8 Ca0.2 Co0.155 F6 Mn0.4 O4.25 Zn0.345 -","- C204 H96 Ca2.4 Co1.86 F72 Mn4.8 O51 Zn4.14 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0807","0.0676","","","0.1733","0.1841","","","","","","1.185","","","","has coordinates,has disorder","221198","2020-10-21","18:00:00",""
"4128068","12.3345","0.0006","8.4335","0.0004","9.7578","0.0005","90","","90","","90","","1015.04","0.09","93","2","93","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 Cl N O4 -","- C8 H14 Cl N O4 -","- C32 H56 Cl4 N4 O16 -","4","0.5","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.0491","0.0418","","","0.1161","0.1228","","","","","","1.065","","","","has coordinates","221199","2020-10-21","18:00:00",""
"4128069","5.1525","0.0013","5.1525","0.0013","5.1525","0.0013","90","","90","","90","","136.79","0.06","473","2","473","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C10.51 Cl O4 -","- C10.506 Cl O3.9996 -","- C10.506 Cl O3.9996 -","1","0.0208333","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.538","0.4611","","","0.7753","0.8084","","","","","","1.017","","","","has coordinates","221200","2020-10-21","18:00:00",""
"4128070","12.6094","0.0006","9.4862","0.0005","8.0894","0.0003","90","","90","","90","","967.62","0.08","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H12 Cl N O5 -","- C7 H12 Cl N O4.9999 -","- C28 H48 Cl4 N4 O19.9996 -","4","1","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1099","0.1074","","","0.2924","0.2953","","","","","","1.083","","","","has coordinates","221201","2020-10-21","18:00:00",""
"4128071","6.2261","0.0015","6.2261","0.0015","6.2261","0.0015","90","","90","","90","","241.35","0.1","298","2","298","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 Cl N O4 -","- C9.342 Cl O3.9996 -","- C9.342 Cl O3.9996 -","1","0.0208333","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.2098","0.1693","","","0.3274","0.3513","","","","","","1.067","","","","has coordinates","221202","2020-10-21","18:00:00",""
"4128072","7.9042","0.0006","10.9593","0.0008","11.5892","0.001","90","","96.337","0.008","90","","997.77","0.14","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Cl N O4 -","- C8 H16 Cl N O4 -","- C32 H64 Cl4 N4 O16 -","4","1","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1173","0.088","","","0.215","0.231","","","","","","1.052","","","","has coordinates","221203","2020-10-21","18:00:00",""
"4128073","6.1928","0.0007","6.1928","0.0007","6.1928","0.0007","90","","90","","90","","237.5","0.05","93","2","93","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 Cl N O5 -","- C10.674 Cl O3.9996 -","- C10.674 Cl O3.9996 -","1","0.0208333","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1335","0.0999","","","0.2386","0.2536","","","","","","1.02","","","","has coordinates","221204","2020-10-21","18:00:00",""
"4128074","11.4473","0.0007","8.1623","0.0006","11.6646","0.0007","90","","90","","90","","1089.9","0.12","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H16 Cl N O4 -","- C8 H16 Cl N O4 -","- C32 H64 Cl4 N4 O16 -","4","0.5","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1297","0.1208","","","0.3244","0.3355","","","","","","1.011","","","","has coordinates,has disorder","221205","2020-10-21","18:00:00",""
"4128075","12.6355","0.0012","8.692","0.0007","9.6224","0.0007","90","","90","","90","","1056.81","0.15","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 Cl N O4 -","- C8 H14 Cl N O4 -","- C32 H56 Cl4 N4 O16 -","4","0.5","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1442","0.127","","","0.3422","0.3541","","","","","","1.022","","","","has coordinates,has disorder","221206","2020-10-21","18:00:00",""
"4128076","6.3172","0.0004","6.3172","0.0004","6.3172","0.0004","90","","90","","90","","252.1","0.03","298","2","298","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 Cl N O5 -","- C10.674 Cl O3.9996 -","- C10.674 Cl O3.9996 -","1","0.0208333","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.0971","0.0754","","","0.166","0.1792","","","","","","1.035","","","","has coordinates","221207","2020-10-21","18:00:00",""
"4128077","27.533","0.002","11.1178","0.0011","24.5325","0.0019","90","","113.72","0.002","90","","6875.2","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 N12 O35 P6 Yb2 -","- C48 H60 N12 O35 P6 Yb2 -","- C192 H240 N48 O140 P24 Yb8 -","4","0.5","","Nonat, Aline; Bahamyirou, Sylvana; Lecointre, Alexandre; Przybilla, Frédéric; Mély, Yves; Platas-Iglesias, Carlos; Camerel, Franck; Jeannin, Olivier; Charbonnière, Loïc J","Molecular Upconversion in Water in Heteropolynuclear Supramolecular Tb/Yb Assemblies.","Journal of the American Chemical Society","2019","141","4","1568","1576","10.1021/jacs.8b10932","","x-ray","0.71073","MoKα","","0.0404","0.0323","","","0.0841","0.0885","","","","","","1.151","","","","has coordinates","221208","2020-10-21","18:00:00",""
"4128078","10.5812","0.0019","13.097","0.002","15.615","0.002","90","","90","","90","","2164","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 O S -","- C14 H10 O S -","- C112 H80 O8 S8 -","8","1","","Smith, Ronald A.; Fu, Guanyao; McAteer, Owen; Xu, Mizhi; Gutekunst, Will R.","Radical Approach to Thioester-Containing Polymers.","Journal of the American Chemical Society","2019","141","4","1446","1451","10.1021/jacs.8b12154","","","0.71073","MoKα","","0.0603","0.0439","","","0.117","0.1296","","","","","","1.05","","","","has coordinates","221209","2020-10-21","18:00:00",""
"4128079","5.9401","0.0001","10.656","0.0001","23.6934","0.0002","90","","90","","90","","1499.74","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","","Kang, Zhenghui; Wang, Yongheng; Zhang, Dan; Wu, Ruibo; Xu, Xinfang; Hu, Wenhao","Asymmetric Counter-Anion-Directed Aminomethylation: Synthesis of Chiral β-Amino Acids via Trapping of an Enol Intermediate.","Journal of the American Chemical Society","2019","141","4","1473","1478","10.1021/jacs.8b12832","","","1.54184","CuKα","","0.0321","0.0318","","","0.0858","0.086","","","","","","1.089","","","","has coordinates","221210","2020-10-21","18:00:00",""
"4128080","8.8042","0.0003","10.5315","0.0004","10.8818","0.0004","107.99","0.004","100.432","0.003","104.927","0.004","889.2","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 Ag O11 -","- C15 H17 Ag O11 -","- C30 H34 Ag2 O22 -","2","1","","Kang, Zhenghui; Wang, Yongheng; Zhang, Dan; Wu, Ruibo; Xu, Xinfang; Hu, Wenhao","Asymmetric Counter-Anion-Directed Aminomethylation: Synthesis of Chiral β-Amino Acids via Trapping of an Enol Intermediate.","Journal of the American Chemical Society","2019","141","4","1473","1478","10.1021/jacs.8b12832","","x-ray","1.54184","CuKα","","0.0735","0.0691","","","0.1793","0.1836","","","","","","1.015","","","","has coordinates","221211","2020-10-21","18:00:00",""
"4128081","9.6616","0.0001","11.6145","0.0001","11.4666","0.0001","90","","96.814","0.001","90","","1277.63","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H31 N O3 -","- C31 H31 N O3 -","- C62 H62 N2 O6 -","2","1","","Kang, Zhenghui; Wang, Yongheng; Zhang, Dan; Wu, Ruibo; Xu, Xinfang; Hu, Wenhao","Asymmetric Counter-Anion-Directed Aminomethylation: Synthesis of Chiral β-Amino Acids via Trapping of an Enol Intermediate.","Journal of the American Chemical Society","2019","141","4","1473","1478","10.1021/jacs.8b12832","","","1.54184","CuKα","","0.0274","0.0273","","","0.0712","0.0714","","","","","","1.033","","","","has coordinates","221212","2020-10-21","18:00:00",""
"4128082","12.1143","0.0009","25.5397","0.0019","12.3372","0.0009","90","","114.18","0.0012","90","","3482.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H55 Ni O P2 -","- C38 H55 Ni O P2 -","- C152 H220 Ni4 O4 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0727","0.0544","","","0.1315","0.141","","","","","","1.045","","","","has coordinates","221213","2020-10-21","18:00:00",""
"4128083","12.0624","0.0011","21.708","0.002","16.2095","0.0015","90","","91.1201","0.0017","90","","4243.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H62 Br N Ni O P2 -","- C47 H62 Br N Ni O P2 -","- C188 H248 Br4 N4 Ni4 O4 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0664","0.0452","","","0.1019","0.1116","","","","","","1.027","","","","has coordinates","221214","2020-10-21","18:00:00",""
"4128084","14.4842","0.0006","23.5098","0.001","13.0495","0.0006","90","","115.597","0.0007","90","","4007.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H59 Br Ni O1.35 P2 -","- C43 H59 Br Ni O1.346 P2 -","- C172 H236 Br4 Ni4 O5.384 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0558","0.0385","","","0.0844","0.0911","","","","","","1.037","","","","has coordinates,has disorder","221215","2020-10-21","18:00:00",""
"4128085","11.1268","0.0006","24.4126","0.0014","16.2109","0.0009","90","","109.568","0.0009","90","","4149.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H64 F3 Ni O2 P2 -","- C43 H64 F3 Ni O2 P2 -","- C172 H256 F12 Ni4 O8 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0493","0.0409","","","0.0996","0.1041","","","","","","1.025","","","","has coordinates,has disorder","221216","2020-10-21","18:00:00",""
"4128086","11.6198","0.0002","11.6198","0.0002","47.0073","0.001","90","","90","","120","","5496.59","0.18","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C38 H55 I Ni O P2 -","- C38 H55 I Ni O P2 -","- C228 H330 I6 Ni6 O6 P12 -","6","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0492","0.0433","","","0.0974","0.1019","","","","","","1.046","","","","has coordinates,has disorder","221217","2020-10-21","18:00:00",""
"4128087","11.1629","0.0009","16.8436","0.0013","17.3026","0.0013","90","","105.449","0.0013","90","","3135.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Br Ni O P2 -","- C31 H48 Br Ni O P2 -","- C124 H192 Br4 Ni4 O4 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0546","0.0394","","","0.0889","0.0947","","","","","","1.046","","","","has coordinates","221218","2020-10-21","18:00:00",""
"4128088","17.191","0.003","37.515","0.007","23.841","0.004","90","","109.287","0.002","90","","14513","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H108 N2 Ni2 O2 P4 -","- C67 H108 N2 Ni2 O2 P4 -","- C536 H864 N16 Ni16 O16 P32 -","8","2","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0701","0.0479","","","0.1122","0.1222","","","","","","1.019","","","","has coordinates,has disorder","221219","2020-10-21","18:00:00",""
"4128089","12.1524","0.0004","25.077","0.0009","12.2188","0.0004","90","","113.495","0.0005","90","","3414.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 Ni O P2 -","- C37 H53 Ni O P2 -","- C148 H212 Ni4 O4 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0434","0.0347","","","0.085","0.0895","","","","","","1.027","","","","has coordinates","221220","2020-10-21","18:00:00",""
"4128090","11.1833","0.0011","12.89","0.0009","10.9328","0.0013","90","","117.046","0.013","90","","1403.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br N2 O2 S -","- C14 H13 Br N2 O2 S -","- C56 H52 Br4 N8 O8 S4 -","4","1","","Liu, Binbin; Ning, Yongquan; Virelli, Matteo; Zanoni, Giuseppe; Anderson, Edward A.; Bi, Xihe","Direct Transformation of Terminal Alkynes into Amidines by a Silver-Catalyzed Four-Component Reaction.","Journal of the American Chemical Society","2019","141","4","1593","1598","10.1021/jacs.8b11039","","","0.71073","MoKα","","0.0974","0.0555","","","0.1142","0.1351","","","","","","1.036","","","","has coordinates","221221","2020-10-21","18:00:00",""
"4128091","21.025","0.004","24.479","0.005","25.666","0.005","66.64","0.03","70.61","0.03","71.93","0.03","11193","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C177.45 H243.1 B66 N32.5 O11.35 Zn3 -","- C171.45 H232.9 B61.8 N32.5 O11.35 Zn3 -","- C342.9 H465.8 B123.6 N65 O22.7 Zn6 -","2","1","","Rizzuto, Felix J.; Pröhm, Patrick; Plajer, Alex J.; Greenfield, Jake L.; Nitschke, Jonathan R.","Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies.","Journal of the American Chemical Society","2019","141","4","1707","1715","10.1021/jacs.8b12323","","","0.6889","Synchrotron","","0.0993","0.0861","","","0.2801","0.2922","","","","","","1.082","","","","has coordinates,has disorder","221222","2020-10-21","18:00:00",""
"4128092","17.046","0.003","16.504","0.003","21.373","0.004","90","","91.51","0.03","90","","6010.7","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C110 H106 F12 N18 O22 S4 Zn2 -","- C110 H106 F12 N18 O22 S4 Zn2 -","- C220 H212 F24 N36 O44 S8 Zn4 -","2","0.5","","Rizzuto, Felix J.; Pröhm, Patrick; Plajer, Alex J.; Greenfield, Jake L.; Nitschke, Jonathan R.","Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies.","Journal of the American Chemical Society","2019","141","4","1707","1715","10.1021/jacs.8b12323","","","0.6889","Synchrotron","","0.0902","0.086","","","0.2493","0.256","","","","","","1.021","","","","has coordinates,has disorder","221223","2020-10-21","18:00:00",""
"4128093","22.3184","0.001","24.7127","0.001","25.3074","0.0011","107.577","0.002","104.677","0.002","111.113","0.002","11337.5","0.9","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C168.5 H156.5 B5.5 F16.5 N31 O25.75 S5.5 Zn3 -","- C165.75 H156.5 B6 F9.75 N31 O19 S3.25 Zn3 -","- C331.5 H313 B12 F19.5 N62 O38 S6.5 Zn6 -","2","1","","Rizzuto, Felix J.; Pröhm, Patrick; Plajer, Alex J.; Greenfield, Jake L.; Nitschke, Jonathan R.","Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies.","Journal of the American Chemical Society","2019","141","4","1707","1715","10.1021/jacs.8b12323","","","1.54178","CuKα","","0.1249","0.1055","","","0.2942","0.3115","","","","","","1.033","","","","has coordinates,has disorder","221224","2020-10-21","18:00:00",""
"4128094","24.9958","0.0011","35.3721","0.0014","22.2126","0.0007","90","","104.784","0.003","90","","18989.2","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C168 H161.5 B6 F24 N33.5 O10.5 Zn3 -","- C166 H158.5 B6 F24 N32.5 O10.5 Zn3 -","- C664 H634 B24 F96 N130 O42 Zn12 -","4","1","","Rizzuto, Felix J.; Pröhm, Patrick; Plajer, Alex J.; Greenfield, Jake L.; Nitschke, Jonathan R.","Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies.","Journal of the American Chemical Society","2019","141","4","1707","1715","10.1021/jacs.8b12323","","","0.6889","Synchrotron","","0.1353","0.113","","","0.32","0.3385","","","","","","1.045","","","","has coordinates,has disorder","221225","2020-10-21","18:00:00",""
"4128095","12.1326","0.0011","13.0622","0.001","15.0649","0.0011","90","","98.628","0.007","90","","2360.4","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 N O3 -","- C28 H39 N O3 -","- C112 H156 N4 O12 -","4","1","","Kim, Daria E.; Zweig, Joshua E.; Newhouse, Timothy R.","Total Synthesis of Paspaline A and Emindole PB Enabled by Computational Augmentation of a Transform-Guided Retrosynthetic Strategy.","Journal of the American Chemical Society","2019","141","4","1479","1483","10.1021/jacs.8b13127","","","0.71073","MoKα","","0.0945","0.0641","","","0.1757","0.1859","","","","","","1.079","","","","has coordinates","221226","2020-10-21","18:00:00",""
"4128096","7.0924","0.0004","10.832","0.0005","11.3981","0.0006","68.891","0.004","74.979","0.004","85.849","0.004","788.77","0.08","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H28 O3 -","- C18 H28 O3 -","- C36 H56 O6 -","2","1","","Kim, Daria E.; Zweig, Joshua E.; Newhouse, Timothy R.","Total Synthesis of Paspaline A and Emindole PB Enabled by Computational Augmentation of a Transform-Guided Retrosynthetic Strategy.","Journal of the American Chemical Society","2019","141","4","1479","1483","10.1021/jacs.8b13127","","","0.71073","MoKα","","0.0528","0.048","","","0.1228","0.1285","","","","","","1.054","","","","has coordinates","221227","2020-10-21","18:00:00",""
"4128097","11.4162","0.0003","13.3892","0.0004","18.7283","0.0005","75.681","0.002","81.697","0.002","89.964","0.002","2742.85","0.13","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C28.5 H39 Cl N O2 -","- C28.5 H39 Cl N O2 -","- C114 H156 Cl4 N4 O8 -","4","4","","Kim, Daria E.; Zweig, Joshua E.; Newhouse, Timothy R.","Total Synthesis of Paspaline A and Emindole PB Enabled by Computational Augmentation of a Transform-Guided Retrosynthetic Strategy.","Journal of the American Chemical Society","2019","141","4","1479","1483","10.1021/jacs.8b13127","","","1.54184","CuKα","","0.0582","0.0568","","","0.1574","0.1592","","","","","","1.021","","","","has coordinates,has disorder","221228","2020-10-21","18:00:00",""
"4128098","6.6127","0.0005","8.2896","0.0005","24.1826","0.0016","90","","90","","90","","1325.61","0.16","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br O4 -","- C14 H11 Br O4 -","- C56 H44 Br4 O16 -","4","1","","Trost, Barry M.; Gnanamani, Elumalai; Kalnmals, Christopher A.; Hung, Chao-I Joey; Tracy, Jacob S.","Direct Enantio- and Diastereoselective Vinylogous Addition of Butenolides to Chromones Catalyzed by Zn-ProPhenol.","Journal of the American Chemical Society","2019","141","4","1489","1493","10.1021/jacs.8b13367","","x-ray","0.71073","MoKα","","0.0325","0.0302","","","0.0617","0.0627","","","","","","1.168","","","","has coordinates","221229","2020-10-21","18:00:00",""
"4128099","29.8348","0.0004","29.8348","0.0004","29.8348","0.0004","90","","90","","90","","26556.4","0.6","153","","153","","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C209 H241 N2 O27 Zn8 -","- C209 H239.5 N2 O27 Zn8 -","- C627 H718.5 N6 O81 Zn24 -","3","0.125","","Zhou, Tian-You; Auer, Bernhard; Lee, Seok J.; Telfer, Shane G.","Catalysts Confined in Programmed Framework Pores Enable New Transformations and Tune Reaction Efficiency and Selectivity.","Journal of the American Chemical Society","2019","141","4","1577","1582","10.1021/jacs.8b11221","","","1.54178","CuKα","","0.1806","0.166","","","0.4414","0.4553","","","","","","1.776","","","","has coordinates,has disorder","221230","2020-10-21","18:00:00",""
"4128100","30.049","0.002","30.049","0.002","53.137","0.004","90","","90","","90","","47980","6","100","2","100","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C68 H77 Co2 N4 O6 -","- C68 H77 Co2 N4 O6 -","- C1088 H1232 Co32 N64 O96 -","16","1","","Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai","Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","17","6822","6826","10.1021/jacs.9b02375","","","1.54178","CuKα","","0.1487","0.0992","","","0.2509","0.2712","","","","","","0.963","","","","has coordinates","221232","2020-10-21","18:00:00",""
"4128101","30.63","0.002","30.63","0.002","53.381","0.004","90","","90","","90","","50082","6","200","2","200","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C68 H77 Co2 N4 O6 -","- C68 H77 Co2 N4 O6 -","- C1088 H1232 Co32 N64 O96 -","16","1","","Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai","Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","17","6822","6826","10.1021/jacs.9b02375","","","1.54178","CuKα","","0.2315","0.1107","","","0.2516","0.3051","","","","","","0.915","","","","has coordinates","221232","2020-10-21","18:00:00",""
"4128102","31.034","0.002","31.034","0.002","53.217","0.004","90","","90","","90","","51254","6","100","2","100","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C68 H77 Co2 N4 O6 -","- C68 H77 Co2 N4 O6 -","- C1088 H1232 Co32 N64 O96 -","16","1","","Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai","Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","17","6822","6826","10.1021/jacs.9b02375","","","1.54178","CuKα","","0.2233","0.1127","","","0.2529","0.3129","","","","","","0.841","","","","has coordinates","221232","2020-10-21","18:00:00",""
"4128103","20.049","0.0006","5.46156","0.00014","25.6163","0.0008","90","","107.386","0.003","90","","2676.81","0.14","100.2","0.4","100.2","0.4","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","","Phipps, Erik J. T.; Rovis, Tomislav","Rh(III)-Catalyzed C-H Activation-Initiated Directed Cyclopropanation of Allylic Alcohols.","Journal of the American Chemical Society","2019","141","17","6807","6811","10.1021/jacs.9b02156","","x-ray","1.54184","CuKα","","0.0513","0.0458","","","0.1151","0.1212","","","","","","1.036","","","","has coordinates","221233","2020-10-21","18:00:00",""
"4128104","7.7496","0.0008","19.7233","0.0015","7.5396","0.0008","90","","114.514","0.014","90","","1048.5","0.2","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C9 H16 N6 -","- C9 H16 N6 -","- C36 H64 N24 -","4","0.5","","Dale, Harvey J. A.; Hodges, George R.; Lloyd-Jones, Guy C","Taming Ambident Triazole Anions: Regioselective Ion Pairing Catalyzes Direct N-Alkylation with Atypical Regioselectivity.","Journal of the American Chemical Society","2019","141","17","7181","7193","10.1021/jacs.9b02786","","x-ray","0.71073","MoKα","","0.0698","0.057","","","0.1399","0.1493","","","","","","1.114","","","","has coordinates","221234","2020-10-21","18:00:00",""
"4128105","13.4569","0.0004","12.842","0.0005","9.2876","0.0004","90","","90","","90","","1605.02","0.1","120","","120","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H27 N5 -","- C15 H27 N5 -","- C60 H108 N20 -","4","1","","Dale, Harvey J. A.; Hodges, George R.; Lloyd-Jones, Guy C","Taming Ambident Triazole Anions: Regioselective Ion Pairing Catalyzes Direct N-Alkylation with Atypical Regioselectivity.","Journal of the American Chemical Society","2019","141","17","7181","7193","10.1021/jacs.9b02786","","x-ray","0.71073","MoKα","","0.0414","0.039","","","0.0941","0.0955","","","","","","1.07","","","","has coordinates","221235","2020-10-21","18:00:00",""
"4128106","9.6261","0.0005","10.341","0.0005","10.588","0.0006","86.497","0.004","82.129","0.004","67.729","0.005","966.1","0.09","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H30 N8 -","- C17 H30 N8 -","- C34 H60 N16 -","2","1","","Dale, Harvey J. A.; Hodges, George R.; Lloyd-Jones, Guy C","Taming Ambident Triazole Anions: Regioselective Ion Pairing Catalyzes Direct N-Alkylation with Atypical Regioselectivity.","Journal of the American Chemical Society","2019","141","17","7181","7193","10.1021/jacs.9b02786","","x-ray","0.71073","MoKα","","0.0668","0.051","","","0.1129","0.1219","","","","","","1.075","","","","has coordinates,has disorder","221236","2020-10-21","18:00:00",""
"4128107","9.0259","0.0004","13.1063","0.0005","17.2862","0.0006","78.761","0.003","76.926","0.003","89.888","0.004","1951.79","0.14","296","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 N6 O4 Ru -","- C44 H28 N6 O4 Ru -","- C88 H56 N12 O8 Ru2 -","2","1","","Elcheikh Mahmoud, Mahmoud; Audi, Hassib; Assoud, Abdeljalil; Ghaddar, Tarek H.; Hmadeh, Mohamad","Metal-Organic Framework Photocatalyst Incorporating Bis(4'-(4-carboxyphenyl)-terpyridine)ruthenium(II) for Visible-Light-Driven Carbon Dioxide Reduction.","Journal of the American Chemical Society","2019","141","17","7115","7121","10.1021/jacs.9b01920","","","0.71073","MoKα","","0.1382","0.0662","","","0.0872","0.1014","","","","","","1.099","","","","has coordinates","221237","2020-10-21","18:00:00",""
"4128108","52.5621","0.0008","23.1563","0.0004","23.8286","0.0004","90","","95.335","0.001","90","","28877.2","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C288 H192 N36 O72 Ru6 Zr6 -","- C288 H192 N36 O72 Ru6 Zr6 -","- C1152 H768 N144 O288 Ru24 Zr24 -","4","0.5","","Elcheikh Mahmoud, Mahmoud; Audi, Hassib; Assoud, Abdeljalil; Ghaddar, Tarek H.; Hmadeh, Mohamad","Metal-Organic Framework Photocatalyst Incorporating Bis(4'-(4-carboxyphenyl)-terpyridine)ruthenium(II) for Visible-Light-Driven Carbon Dioxide Reduction.","Journal of the American Chemical Society","2019","141","17","7115","7121","10.1021/jacs.9b01920","","","0.71073","MoKα","","0.2229","0.0725","","","0.1558","0.1791","","","","","","1.022","","","","has coordinates","221238","2020-10-21","18:00:00",""
"4128109","4.6221","0.0009","7.3099","0.0015","29.54","0.006","90","","90","","90","","998.1","0.3","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 I N O -","- C10 H10 I N O -","- C40 H40 I4 N4 O4 -","4","1","","Wang, Hao; Park, Yoonsu; Bai, Ziqian; Chang, Sukbok; He, Gang; Chen, Gong","Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Amidation Controlled by Attractive Noncovalent Interactions.","Journal of the American Chemical Society","2019","141","17","7194","7201","10.1021/jacs.9b02811","","","0.71073","MoKα","","0.0255","0.0241","","","0.0532","0.0541","","","","","","1.034","","","","has coordinates","221239","2020-10-21","18:00:00",""
"4128110","14.374","0.003","20.416","0.004","20.775","0.004","90","","90","","90","","6097","2","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H35 Cl Ir N3 O3 -","- C33 H35 Cl Ir N3 O3 -","- C264 H280 Cl8 Ir8 N24 O24 -","8","2","","Wang, Hao; Park, Yoonsu; Bai, Ziqian; Chang, Sukbok; He, Gang; Chen, Gong","Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Amidation Controlled by Attractive Noncovalent Interactions.","Journal of the American Chemical Society","2019","141","17","7194","7201","10.1021/jacs.9b02811","","","0.71073","MoKα","","0.0564","0.0507","","","0.0968","0.0996","","","","","","1.109","","","","has coordinates","221240","2020-10-21","18:00:00",""
"4128111","12.6425","0.0003","20.1905","0.0004","38.4232","0.0007","90","","93.211","0.001","90","","9792.4","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C100 H92 Cl8 F6 N6 O3 Ru3 S6 -","- C100 H92 Cl8 F6 N6 O3 Ru3 S6 -","- C400 H368 Cl32 F24 N24 O12 Ru12 S24 -","4","1","","Liu, Zhenxing; Xu, Chaofan; Del Pozo, Juan; Torker, Sebastian; Hoveyda, Amir H.","Ru-Based Catechothiolate Complexes Bearing an Unsaturated NHC Ligand: Effective Cross-Metathesis Catalysts for Synthesis of ( Z)-α,β-Unsaturated Esters, Carboxylic Acids, and Primary, Secondary, and Weinreb Amides.","Journal of the American Chemical Society","2019","141","17","7137","7146","10.1021/jacs.9b02318","","","1.54178","CuKα","","0.0742","0.0662","","","0.1724","0.1776","","","","","","1.131","","","","has coordinates,has disorder","221241","2020-10-21","18:00:00",""
"4128112","15.3861","0.0007","17.6259","0.0008","24.9415","0.0012","90","","107.801","0.002","90","","6440.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67 H60 Cl4 F4 N4 O3 Ru2 S4 -","- C67 H60 Cl4 F4 N4 O3 Ru2 S4 -","- C268 H240 Cl16 F16 N16 O12 Ru8 S16 -","4","1","","Liu, Zhenxing; Xu, Chaofan; Del Pozo, Juan; Torker, Sebastian; Hoveyda, Amir H.","Ru-Based Catechothiolate Complexes Bearing an Unsaturated NHC Ligand: Effective Cross-Metathesis Catalysts for Synthesis of ( Z)-α,β-Unsaturated Esters, Carboxylic Acids, and Primary, Secondary, and Weinreb Amides.","Journal of the American Chemical Society","2019","141","17","7137","7146","10.1021/jacs.9b02318","","","1.54178","CuKα","","0.0361","0.035","","","0.0905","0.0914","","","","","","1.025","","","","has coordinates,has disorder","221242","2020-10-21","18:00:00",""
"4128113","10.7639","0.0007","21.7165","0.0014","31.819","0.002","90","","90","","90","","7437.8","0.8","100","2","100.11","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H46 Ca Co N6 O17 -","- C29 H46 Ca Co N6 O17 -","- C232 H368 Ca8 Co8 N48 O136 -","8","1","","Du, Kang; Thorarinsdottir, Agnes E.; Harris, T. David","Selective Binding and Quantitation of Calcium with a Cobalt-Based Magnetic Resonance Probe.","Journal of the American Chemical Society","2019","141","17","7163","7172","10.1021/jacs.9b02661","","","0.71073","MoKα","","0.1447","0.135","","","0.284","0.288","","","","","","1.204","","","","has coordinates,has disorder","221243","2020-10-21","18:00:00",""
"4128114","35.066","0.007","35.066","0.007","35.066","0.007","90","","90","","90","","43118","15","100","2","99.98","","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C55 H76.36 Co2 N8 O18.1 -","- C55 H76.36 Co2 N8 O18.106 -","- C1320 H1832.64 Co48 N192 O434.544 -","24","0.5","","Du, Kang; Thorarinsdottir, Agnes E.; Harris, T. David","Selective Binding and Quantitation of Calcium with a Cobalt-Based Magnetic Resonance Probe.","Journal of the American Chemical Society","2019","141","17","7163","7172","10.1021/jacs.9b02661","","","0.71073","MoKα","","0.1196","0.0805","","","0.2235","0.2755","","","","","","1.064","","","","has coordinates,has disorder","221244","2020-10-21","18:00:00",""
"4128115","34.793","0.003","34.793","0.003","34.793","0.003","90","","90","","90","","42119","6","100","2","100","","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C52 H72 Co2 N9 Na2 O21 -","- C52 H72 Co2 N9 Na2 O21 -","- C1248 H1728 Co48 N216 Na48 O504 -","24","0.5","","Du, Kang; Thorarinsdottir, Agnes E.; Harris, T. David","Selective Binding and Quantitation of Calcium with a Cobalt-Based Magnetic Resonance Probe.","Journal of the American Chemical Society","2019","141","17","7163","7172","10.1021/jacs.9b02661","","","0.71073","MoKα","","0.1662","0.1523","","","0.4727","0.4885","","","","","","2.32","","","","has coordinates","221245","2020-10-21","18:00:00",""
"4128116","11.7944","0.0002","17.3479","0.0003","25.4626","0.0003","107.716","0.001","94.056","0.001","107.82","0.001","4646.92","0.13","99.9","0.3","99.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C66 H66 N4 O2 S2 -","- C66 H66 N4 O2 S2 -","- C198 H198 N12 O6 S6 -","3","1.5","","Chandrabose, Sreelakshmi; Chen, Kai; Barker, Alex J.; Sutton, Joshua J.; Prasad, Shyamal K. K.; Zhu, Jingshuai; Zhou, Jiadong; Gordon, Keith C.; Xie, Zengqi; Zhan, Xiaowei; Hodgkiss, Justin M.","High Exciton Diffusion Coefficients in Fused Ring Electron Acceptor Films.","Journal of the American Chemical Society","2019","141","17","6922","6929","10.1021/jacs.8b12982","","x-ray","1.54184","CuKα","","0.0532","0.047","","","0.1289","0.1333","","","","","","1.046","","","","has coordinates","221246","2020-10-21","18:00:00",""
"4128117","21.166","0.0004","21.8072","0.0004","35.8636","0.0007","90.804","0.002","102.438","0.002","104.311","0.002","15623.8","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C177.5 H139.5 F4.5 I9 N49.25 O4.5 P4 S1.5 Zn6 -","- C177.5 H136.5 F4.5 I9 N49.25 O4.5 P4 S1.5 Zn6 -","- C355 H273 F9 I18 N98.5 O9 P8 S3 Zn12 -","2","1","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Phosphine Cages Controls Host-Guest Behavior.","Journal of the American Chemical Society","2019","141","17","6837","6842","10.1021/jacs.9b02604","","","0.6889","Synchrotron","","0.15","0.1265","","","0.351","0.3638","","","","","","1.031","","","","has coordinates,has disorder","221247","2020-10-21","18:00:00",""
"4128118","42.046","0.0001","42.046","0.0001","107.4786","0.0004","90","","90","","120","","164552","0.8","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C196 H180 Fe4 N63 O37.17 P4.67 S4 -","- C196 H138 Fe4 N63 O29.1667 P4.66667 S2 -","- C3528 H2484 Fe72 N1134 O525 P84 S36 -","18","0.5","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Phosphine Cages Controls Host-Guest Behavior.","Journal of the American Chemical Society","2019","141","17","6837","6842","10.1021/jacs.9b02604","","","0.6889","Synchrotron","","0.1191","0.1045","","","0.3225","0.3396","","","","","","1.306","","","","has coordinates,has disorder","221248","2020-10-21","18:00:00",""
"4128119","21.1855","0.0002","24.1723","0.0002","33.8253","0.0003","89.961","0.001","84.215","0.001","65.895","0.001","15715.3","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C228.5 H186.75 F13.5 I8.5 N53 Ni5.1 O9 P4 S4.5 -","- C228.5 H186.75 F13.5 I8.5 N53 Ni5.1 O9 P4 S4.5 -","- C457 H373.5 F27 I17 N106 Ni10.2 O18 P8 S9 -","2","1","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Phosphine Cages Controls Host-Guest Behavior.","Journal of the American Chemical Society","2019","141","17","6837","6842","10.1021/jacs.9b02604","","","0.6889","Synchrotron","","0.1093","0.0901","","","0.2854","0.3003","","","","","","1.004","","","","has coordinates,has disorder","221249","2020-10-21","18:00:00",""
"4128120","4.9802","0.0006","22.13","0.003","28.504","0.003","90","","90","","90","","3141.5","0.7","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 Br N O5 -","- C31 H48 Br N O5 -","- C124 H192 Br4 N4 O20 -","4","1","","Liu, Cui-Ping; Xie, Cheng-Ying; Zhao, Jin-Xin; Ji, Kai-Long; Lei, Xin-Xiang; Sun, Han; Lou, Li-Guang; Yue, Jian-Min","Dysoxylactam A: A Macrocyclolipopeptide Reverses P-Glycoprotein-Mediated Multidrug Resistance in Cancer Cells.","Journal of the American Chemical Society","2019","141","17","6812","6816","10.1021/jacs.9b02259","","","0.71073","MoKα","","0.0987","0.0465","","","0.0553","0.0648","","","","","","0.996","","","","has coordinates","221250","2020-10-21","18:00:00",""
"4128121","23.055","0.003","23.056","0.002","23.99","0.003","90","","90","","90","","12752","3","100","2","100","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C160 H200 Cl26 Li6 N4 O40 P4 Pd4 S8 -","- C160 H200 Cl26 Li6 N4 O40 P4 Pd4 S8 -","- C320 H400 Cl52 Li12 N8 O80 P8 Pd8 S16 -","2","0.5","","Liu, Qian; Jordan, Richard F.","Sterically Controlled Self-Assembly of a Robust Multinuclear Palladium Catalyst for Ethylene Polymerization.","Journal of the American Chemical Society","2019","141","17","6827","6831","10.1021/jacs.9b02465","","","0.71073","MoKα","","0.0788","0.0563","","","0.1297","0.1371","","","","","","1.045","","","","has coordinates,has disorder","221251","2020-10-21","18:00:00",""
"4128122","10.779","0.003","14.999","0.004","25.118","0.006","90","","90","","90","","4060.9","1.8","360","2","360","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-anthracenyl-1,2,3,5-dithiadiazolyl","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C180 H108 N24 S24 -","12","3","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1719","0.0852","","","0.1532","0.1999","","","","","","1.063","","","","has coordinates","221252","2020-10-21","18:00:00",""
"4128123","10.212","0.005","7.996","0.004","15.782","0.006","90","","100.49","0.03","90","","1267.1","1","280","2","280","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","1.54178","CuKα","","0.1465","0.0916","","","0.2508","0.3097","","","","","","1.079","","","","has coordinates","221253","2020-10-21","18:00:00",""
"4128124","14.762","0.008","10.712","0.006","8.346","0.005","90","","97.792","0.016","90","","1307.6","1.3","253","2","253","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.2058","0.1262","","","0.2697","0.3198","","","","","","1.066","","","","has coordinates","221254","2020-10-21","18:00:00",""
"4128125","14.7027","0.0011","10.7141","0.0007","8.2871","0.0005","90","","98.771","0.004","90","","1290.17","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Anthracenyl 1,2,3,5-dithiadiazolyl ?","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","1.54178","CuKα","","0.1104","0.0864","","","0.2206","0.2334","","","","","","1.064","","","","has coordinates","221255","2020-10-21","18:00:00",""
"4128126","10.7397","0.0013","14.859","0.002","24.974","0.003","90","","90","","90","","3985.4","0.9","310","2","310","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-Anthracenyl-1,2,3,5-dithiadiazolyl","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C180 H108 N24 S24 -","12","3","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1522","0.09","","","0.207","0.253","","","","","","1.057","","","","has coordinates","221256","2020-10-21","18:00:00",""
"4128127","10.7459","0.0011","14.8885","0.0018","25.019","0.003","90","","90","","90","","4002.8","0.8","330","2","330","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-Anthracenyl 1,2,3,5-dithiadiazolyl","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C180 H108 N24 S24 -","12","3","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1534","0.0869","","","0.2114","0.2636","","","","","","1.073","","","","has coordinates","221257","2020-10-21","18:00:00",""
"4128128","13.412","0.002","14.723","0.003","13.429","0.002","90","","104.666","0.005","90","","2565.4","0.8","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-Anthracenyl 1,2,3,5-dithiadiazolyl","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C120 H72 N16 S16 -","8","2","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1131","0.0642","","","0.1504","0.1809","","","","","","1.109","","","","has coordinates","221258","2020-10-21","18:00:00",""
"4128129","14.672","0.007","10.673","0.005","8.294","0.004","90","","98.49","0.014","90","","1284.6","1.1","195","2","195","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1701","0.1147","","","0.2884","0.3473","","","","","","1.037","","","","has coordinates","221259","2020-10-21","18:00:00",""
"4128130","13.4489","0.0013","14.7539","0.0015","13.4604","0.0013","90","","104.725","0.003","90","","2583.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C120 H72 N16 S16 -","8","2","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.0695","0.0554","","","0.1407","0.1509","","","","","","1.073","","","","has coordinates","221260","2020-10-21","18:00:00",""
"4128131","14.788","0.014","10.794","0.01","8.355","0.008","90","","97.334","0.009","90","","1323","2","273","2","273.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1603","0.1107","","","0.2666","0.3015","","","","","","1.099","","","","has coordinates","221261","2020-10-21","18:00:00",""
"4128132","10.2054","0.0003","7.9074","0.0002","15.6084","0.0004","90","","100.069","0.001","90","","1240.17","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Anthracenyl 1,2,3,5-dithiadiazolyl","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","1.54178","CuKα","","0.0965","0.0841","","","0.2117","0.2314","","","","","","1.111","","","","has coordinates","221262","2020-10-21","18:00:00",""
"4128133","14.79","0.008","10.719","0.005","8.355","0.004","90","","97.001","0.015","90","","1314.7","1.1","295","2","295.03","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.218","0.1285","","","0.3181","0.4059","","","","","","1.034","","","","has coordinates","221263","2020-10-21","18:00:00",""
"4128134","22.2409","0.0011","16.5648","0.0011","22.3829","0.0013","90","","90","","90","","8246.2","0.8","100.01","0.1","100.01","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C64 H132 Al2 Li2 O8 P4 Si4 -","- C64 H132 Al2 Li2 O8 P4 Si4 -","- C256 H528 Al8 Li8 O32 P16 Si16 -","4","0.5","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.1097","0.078","","","0.2033","0.2225","","","","","","1.055","","","","has coordinates","221264","2020-10-21","18:00:00",""
"4128135","16.4422","0.0002","20.0536","0.0003","27.5154","0.0004","90","","90","","90","","9072.5","0.2","180","0.3","180","0.3","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H152 Al2 Li2 O10 P4 Si4 -","- C76 H152 Al2 Li2 O10 P4 Si4 -","- C304 H608 Al8 Li8 O40 P16 Si16 -","4","0.5","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.0826","0.0738","","","0.1997","0.2094","","","","","","1.04","","","","has coordinates","221264","2020-10-21","18:00:00",""
"4128136","14.9811","0.0002","16.4506","0.0003","17.9869","0.0003","90","","90","","90","","4432.84","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H74 Al2 P4 Si4 -","- C34 H74 Al2 P4 Si4 -","- C136 H296 Al8 P16 Si16 -","4","1","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.0831","0.0779","","","0.2042","0.2104","","","","","","1.061","","","","has coordinates,has disorder","221264","2020-10-21","18:00:00",""
"4128137","15.9907","0.0014","12.3762","0.0011","10.9542","0.0009","90","","95.493","0.007","90","","2157.9","0.3","179.9","0.4","179.9","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 K O P Si2 -","- C16 H32 K O P Si2 -","- C64 H128 K4 O4 P4 Si8 -","4","1","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.0996","0.0655","","","0.1299","0.1429","","","","","","1.041","","","","has coordinates","221264","2020-10-21","18:00:00",""
"4128138","14.5868","0.0003","15.2506","0.0003","19.9075","0.0005","90","","104.964","0.002","90","","4278.39","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 I P Si2 -","- C14 H30 I P Si2 -","- C112 H240 I8 P8 Si16 -","8","2","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.0627","0.049","","","0.1248","0.1338","","","","","","1.043","","","","has coordinates","221264","2020-10-21","18:00:00",""
"4128139","8.4206","0.0002","8.4206","0.0002","13.1696","0.0003","90","","90","","120","","808.7","0.03","120","2","120","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C10 H14 Fe N4 -","- C10 H14 Fe N4 -","- C30 H42 Fe3 N12 -","3","0.5","","López-Cabrelles, Javier; Romero, Jorge; Abellán, Gonzalo; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo","Solvent-Free Synthesis of ZIFs: A Route toward the Elusive Fe(II) Analogue of ZIF-8.","Journal of the American Chemical Society","2019","141","17","7173","7180","10.1021/jacs.9b02686","","x-ray","0.71073","MoKα","","0.0299","0.0266","","","0.0493","0.0513","","","","","","1.109","","","","has coordinates","221265","2020-10-21","18:00:00",""
"4128140","17.1656","0.0002","17.1656","0.0002","17.1656","0.0002","90","","90","","90","","5057.98","0.1","120","2","120.15","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C8 H10 Fe N4 -","- C8 H10 Fe N4 -","- C96 H120 Fe12 N48 -","12","0.25","","López-Cabrelles, Javier; Romero, Jorge; Abellán, Gonzalo; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo","Solvent-Free Synthesis of ZIFs: A Route toward the Elusive Fe(II) Analogue of ZIF-8.","Journal of the American Chemical Society","2019","141","17","7173","7180","10.1021/jacs.9b02686","","","0.71073","MoKα","","0.0737","0.0482","","","0.1381","0.1456","","","","","","1.507","","","","has coordinates,has disorder","221266","2020-10-21","18:00:00",""
"4128141","9.2434","0.0014","9.3503","0.0013","15.9876","0.0018","90","","90","","90","","1381.8","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Fe N4 -","- C16 H14 Fe N4 -","- C64 H56 Fe4 N16 -","4","1","","López-Cabrelles, Javier; Romero, Jorge; Abellán, Gonzalo; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo","Solvent-Free Synthesis of ZIFs: A Route toward the Elusive Fe(II) Analogue of ZIF-8.","Journal of the American Chemical Society","2019","141","17","7173","7180","10.1021/jacs.9b02686","","x-ray","0.71073","MoKα","","0.0574","0.0554","","","0.1323","0.1368","","","","","","1.065","","","","has coordinates","221267","2020-10-21","18:00:00",""
"4128142","8.0015","0.0004","10.2072","0.0006","14.8838","0.0008","90","","90.669","0.003","90","","1215.52","0.11","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Lee, Chung Whan; Taylor, Buck L. H.; Petrova, Galina P.; Patel, Ashay; Morokuma, Keiji; Houk, K. N.; Stoltz, Brian M.","An Unexpected Ireland-Claisen Rearrangement Cascade During the Synthesis of the Tricyclic Core of Curcusone C: Mechanistic Elucidation by Trial-and-Error and Automatic Artificial Force-Induced Reaction (AFIR) Computations.","Journal of the American Chemical Society","2019","141","17","6995","7004","10.1021/jacs.9b01146","","","0.71073","MoKα","","0.0511","0.0379","","","0.1076","0.1117","","","","","","1.756","","","","has coordinates","221268","2020-10-21","18:00:00",""
"4128143","19.3346","0.001","21.5305","0.0011","9.9784","0.0005","90.199","0.003","93.729","0.003","90.81","0.003","4144.6","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C176 H208 N16 O32 S8 -","8","4","","Lee, Chung Whan; Taylor, Buck L. H.; Petrova, Galina P.; Patel, Ashay; Morokuma, Keiji; Houk, K. N.; Stoltz, Brian M.","An Unexpected Ireland-Claisen Rearrangement Cascade During the Synthesis of the Tricyclic Core of Curcusone C: Mechanistic Elucidation by Trial-and-Error and Automatic Artificial Force-Induced Reaction (AFIR) Computations.","Journal of the American Chemical Society","2019","141","17","6995","7004","10.1021/jacs.9b01146","","","0.71073","MoKα","","0.1406","0.0907","","","0.2272","0.2638","","","","","","1.037","","","","has coordinates","221269","2020-10-21","18:00:00",""
"4128144","13.567","0.005","21.132","0.008","10.077","0.004","90","","107.266","0.006","90","","2758.9","1.8","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 N2 O3 Si -","- C29 H38 N2 O3 Si -","- C116 H152 N8 O12 Si4 -","4","1","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","","0.71073","MoKα","","0.065","0.0454","","","0.1214","0.1362","","","","","","1.041","","","","has coordinates","221270","2020-10-21","18:00:00",""
"4128145","13.1415","0.0011","10.9429","0.0007","12.8855","0.0009","90","","113.53","0.009","90","","1698.9","0.2","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","","0.71073","MoKα","","0.115","0.0615","","","0.1252","0.1642","","","","","","1.074","","","","has coordinates","221271","2020-10-21","18:00:00",""
"4128146","33.295","0.003","11.0183","0.0007","12.8497","0.0008","90","","99.527","0.007","90","","4649","0.6","294.1","0.7","294.1","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C216 H228 Cl12 N24 O12 -","12","3","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","","0.71073","MoKα","","0.1704","0.0792","","","0.1619","0.2178","","","","","","1.025","","","","has coordinates,has disorder","221272","2020-10-21","18:00:00",""
"4128147","13.263","0.003","11.842","0.002","15.897","0.003","90","","110.521","0.003","90","","2338.4","0.8","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C112 H120 N8 O8 -","8","2","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","","0.71073","MoKα","","0.1041","0.0667","","","0.1846","0.2129","","","","","","1.052","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4128148","8.1557","0.0004","11.787","0.0007","16.3493","0.0009","85.937","0.005","89.698","0.004","85.953","0.004","1563.82","0.15","291.59","0.1","291.59","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","2","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","x-ray","1.54184","CuKα","","0.0834","0.068","","","0.1983","0.2099","","","","","","1.108","","","","has coordinates","221274","2020-10-21","18:00:00",""
"4128149","23.649","0.003","7.8636","0.0004","20.272","0.002","90","","126.277","0.018","90","","3039.2","0.9","290.7","0.16","290.7","0.16","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C136 H168 N8 O16 -","8","1","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","","0.7107","MoKα","","0.0971","0.0619","","","0.1506","0.1738","","","","","","1.044","","","","has coordinates","221275","2020-10-21","18:00:00",""
"4128150","10.91514","0.00018","12.1031","0.0002","32.0994","0.0006","90","","95.1628","0.0016","90","","4223.35","0.13","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O3 -","- C25 H26 N2 O3 -","- C200 H208 N16 O24 -","8","4","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","x-ray","1.54184","CuKα","","0.0393","0.0378","","","0.0993","0.1013","","","","","","1.036","","","","has coordinates","221276","2020-10-21","18:00:00",""
"4128151","6.1734","0.0002","12.3999","0.0004","20.4254","0.0006","97.203","0.001","97.059","0.001","99.727","0.001","1512.23","0.08","100","","100","","","","","","","","","5","P 1","P 1","1","","4-(1-((4-methoxybenzyl)-l4-azanyl)propan-2-yl)-4l4-morpholine, 4-methylbenzenesulfonate salt","","- C29 H40 N2 O8 S2 -","- C29 H40 N2 O8 S2 -","- C58 H80 N4 O16 S4 -","2","2","","Vanable, Evan P.; Kennemur, Jennifer L.; Joyce, Leo A.; Ruck, Rebecca T.; Schultz, Danielle M.; Hull, Kami L.","Rhodium-Catalyzed Asymmetric Hydroamination of Allyl Amines.","Journal of the American Chemical Society","2019","141","2","739","742","10.1021/jacs.8b09811","","","0.71073","MoKα","","0.0498","0.0413","","","0.0955","0.1007","","","","","","1.052","","","","has coordinates,has disorder","221277","2020-10-21","18:00:00",""
"4128152","10.5503","0.0004","9.1488","0.0004","12.4459","0.0005","90","","98.766","0.003","90","","1187.28","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H33 N O6 S -","- C22 H33 N O6 S -","- C44 H66 N2 O12 S2 -","2","1","","Tan, Dan; Jamieson, Cooper S.; Ohashi, Masao; Tang, Man-Cheng; Houk, K. N.; Tang, Yi","Genome-Mined Diels-Alderase Catalyzes Formation of the cis-Octahydrodecalins of Varicidin A and B.","Journal of the American Chemical Society","2019","141","2","769","773","10.1021/jacs.8b12010","","","1.54178","CuKα","","0.0418","0.0346","","","0.078","0.081","","","","","","1.046","","","","has coordinates","221278","2020-10-21","18:00:00",""
"4128153","9.7653","0.0009","9.7181","0.0009","13.3075","0.0012","90","","98.833","0.001","90","","1247.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 N O2 -","- C13 H21 N O2 -","- C52 H84 N4 O8 -","4","1","","Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.","Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.","Journal of the American Chemical Society","2019","141","6","2274","2278","10.1021/jacs.9b00396","","","0.71073","MoKα","","0.0454","0.0433","","","0.1111","0.1133","","","","","","1.072","","","","has coordinates","221279","2020-10-21","18:00:00",""
"4128154","7.7866","0.0003","15.2172","0.0007","10.1883","0.0005","90","","112.279","0.003","90","","1117.09","0.09","0","2","0","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N O -","- C13 H19 N O -","- C52 H76 N4 O4 -","4","1","","Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.","Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.","Journal of the American Chemical Society","2019","141","6","2274","2278","10.1021/jacs.9b00396","","","1.54178","CuKα","","0.0492","0.04","","","0.0984","0.1006","","","","","","0.958","","","","has coordinates","221280","2020-10-21","18:00:00",""
"4128155","33.1593","0.0015","8.7821","0.0004","23.3882","0.001","90","","129.718","0.002","90","","5238.9","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26.5 H37.5 Cl N3 O2 -","- C26.5 H37.5 Cl N3 O2 -","- C212 H300 Cl8 N24 O16 -","8","2","","Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.","Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.","Journal of the American Chemical Society","2019","141","6","2274","2278","10.1021/jacs.9b00396","","","1.54178","CuKα","","0.0541","0.046","","","0.1164","0.1199","","","","","","1.046","","","","has coordinates,has disorder","221282","2020-10-21","18:00:00",""
"4128156","9.422","0.0003","9.3471","0.0003","12.8767","0.0005","90","","99.966","0.002","90","","1116.92","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N O -","- C13 H19 N O -","- C52 H76 N4 O4 -","4","1","","Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.","Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.","Journal of the American Chemical Society","2019","141","6","2274","2278","10.1021/jacs.9b00396","","","1.54178","CuKα","","0.042","0.0389","","","0.0921","0.0934","","","","","","1.098","","","","has coordinates","221284","2020-10-21","18:00:00",""
"4128157","10.609","0.0009","7.879","0.0006","17.4437","0.0014","90","","97.679","0.002","90","","1445","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cu N4 O8 -","- C26 H38 Cu N4 O8 -","- C52 H76 Cu2 N8 O16 -","2","0.5","","Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.","Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.","Journal of the American Chemical Society","2019","141","6","2274","2278","10.1021/jacs.9b00396","","","0.71073","MoKα","","0.0663","0.0371","","","0.0994","0.1119","","","","","","1.013","","","","has coordinates","221286","2020-10-21","18:00:00",""
"4128158","9.9276","0.0001","10.7525","0.0001","12.9548","0.0001","99.713","0.001","104.856","0.001","110.259","0.001","1202.35","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PIDAsidepdt","","","- C27 H32 Cl2 N2 O -","- C27 H32 Cl2 N2 O -","- C54 H64 Cl4 N4 O2 -","2","1","","Johnson, Rebecca E.; Ree, Hwisoo; Hartmann, Marco; Lang, Laura; Sawano, Shota; Sarpong, Richmond","Total Synthesis of Pentacyclic (-)-Ambiguine P Using Sequential Indole Functionalizations.","Journal of the American Chemical Society","2019","141","6","2233","2237","10.1021/jacs.8b13388","","","1.54184","CuKα","","0.0397","0.0395","","","0.1062","0.1063","","","","","","1.054","","","","has coordinates","221288","2020-10-21","18:00:00",""
"4128159","9.217","0.0003","12.9842","0.0004","17.6732","0.0006","90","","90","","90","","2115.05","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MLH-B1-115","sarpong135","","- C26 H28 N2 O -","- C26 H28 N2 O -","- C104 H112 N8 O4 -","4","1","","Johnson, Rebecca E.; Ree, Hwisoo; Hartmann, Marco; Lang, Laura; Sawano, Shota; Sarpong, Richmond","Total Synthesis of Pentacyclic (-)-Ambiguine P Using Sequential Indole Functionalizations.","Journal of the American Chemical Society","2019","141","6","2233","2237","10.1021/jacs.8b13388","","","1.54178","CuKα","","0.046","0.0402","","","0.1002","0.1044","","","","","","1.027","","","","has coordinates","221290","2020-10-21","18:00:00",""
"4128160","8.0296","0.001","10.96","0.0014","13.2363","0.0016","75.163","0.002","73.585","0.002","80.678","0.002","1075.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N2 O6 S -","- C21 H24 N2 O6 S -","- C42 H48 N4 O12 S2 -","2","1","","Wang, Ye; Zhang, Wen-Yun; You, Shu-Li","Ketones and Aldehydes as O-Nucleophiles in Iridium-Catalyzed Intramolecular Asymmetric Allylic Substitution Reaction.","Journal of the American Chemical Society","2019","141","6","2228","2232","10.1021/jacs.8b13182","","","0.71073","MoKα","","0.0616","0.0379","","","0.0923","0.1059","","","","","","1.025","","","","has coordinates","221292","2020-10-21","18:00:00",""
"4128161","8.2832","0.0001","10.1297","0.0002","10.7689","0.0002","79.365","0.001","82.958","0.001","76.332","0.001","859.95","0.03","170","2","170.01","","","","","","","","","6","P 1","P 1","1","","","","- C19 H18 F N O3 S -","- C19 H18 F N O3 S -","- C38 H36 F2 N2 O6 S2 -","2","2","","Wang, Ye; Zhang, Wen-Yun; You, Shu-Li","Ketones and Aldehydes as O-Nucleophiles in Iridium-Catalyzed Intramolecular Asymmetric Allylic Substitution Reaction.","Journal of the American Chemical Society","2019","141","6","2228","2232","10.1021/jacs.8b13182","","","1.34139","GaKα","","0.0393","0.0384","","","0.1276","0.1289","","","","","","1.135","","","","has coordinates","221294","2020-10-21","18:00:00",""
"4128162","11.9205","0.0007","6.7662","0.0004","23.36","0.0014","90","","92.608","0.002","90","","1882.18","0.19","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O5 S -","- C19 H18 N2 O5 S -","- C76 H72 N8 O20 S4 -","4","2","","Wang, Ye; Zhang, Wen-Yun; You, Shu-Li","Ketones and Aldehydes as O-Nucleophiles in Iridium-Catalyzed Intramolecular Asymmetric Allylic Substitution Reaction.","Journal of the American Chemical Society","2019","141","6","2228","2232","10.1021/jacs.8b13182","","","1.34139","GaKα","","0.0568","0.048","","","0.1211","0.1299","","","","","","1.022","","","","has coordinates","221296","2020-10-21","18:00:00",""
"4128163","9.5048","0.0003","19.9335","0.0006","12.2973","0.0004","90","","103.258","0.001","90","","2267.8","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 F3 N O5 -","- C25 H22 F3 N O5 -","- C100 H88 F12 N4 O20 -","4","1","","Zhu, Min; Zheng, Chao; Zhang, Xiao; You, Shu-Li","Synthesis of Cyclobutane-Fused Angular Tetracyclic Spiroindolines via Visible-Light-Promoted Intramolecular Dearomatization of Indole Derivatives.","Journal of the American Chemical Society","2019","141","6","2636","2644","10.1021/jacs.8b12965","","","0.71073","MoKα","","0.0734","0.0547","","","0.1332","0.1489","","","","","","1.06","","","","has coordinates","221298","2020-10-21","18:00:00",""
"4128164","8.9322","0.0004","9.3914","0.0005","10.8992","0.0006","65.743","0.002","71.707","0.002","63.078","0.002","733.98","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C34 H38 N2 O6 -","2","1","","Zhu, Min; Zheng, Chao; Zhang, Xiao; You, Shu-Li","Synthesis of Cyclobutane-Fused Angular Tetracyclic Spiroindolines via Visible-Light-Promoted Intramolecular Dearomatization of Indole Derivatives.","Journal of the American Chemical Society","2019","141","6","2636","2644","10.1021/jacs.8b12965","","","0.71073","MoKα","","0.063","0.0475","","","0.1123","0.1253","","","","","","1.047","","","","has coordinates","221300","2020-10-21","18:00:00",""
"4128165","23.0084","0.0005","23.0084","0.0005","18.8119","0.0007","90","","90","","90","","9958.8","0.5","150","0.1","150","0.1","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-28-BPYDC","","","- C76 H30 F24 N2 O32 Zr6 -","- C76 H30 F24 N2 O32 Zr6 -","- C152 H60 F48 N4 O64 Zr12 -","2","0.125","","Cao, Chen-Chen; Chen, Cheng-Xia; Wei, Zhang-Wen; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Wang, Dawei; Su, Cheng-Yong","Catalysis through Dynamic Spacer Installation of Multivariate Functionalities in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","6","2589","2593","10.1021/jacs.8b12372","","x-ray","1.54178","CuKα","","0.088","0.0806","","","0.2242","0.2318","","","","","","1.058","","","","has coordinates,has disorder","221302","2020-10-21","18:00:00",""
"4128166","22.957","0.0016","22.957","0.0016","18.806","0.002","90","","90","","90","","9911.2","1.4","173","2","173","2","","","","","","","","8","P 42/m m c","-P 4c 2","131","LIFM-28-BPYDC-Cu","","","- C78 H33 Cu F24 I N3 O32 Zr6 -","- C78 H33 Cu F24 I N3 O32 Zr6 -","- C156 H66 Cu2 F48 I2 N6 O64 Zr12 -","2","0.125","","Cao, Chen-Chen; Chen, Cheng-Xia; Wei, Zhang-Wen; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Wang, Dawei; Su, Cheng-Yong","Catalysis through Dynamic Spacer Installation of Multivariate Functionalities in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","6","2589","2593","10.1021/jacs.8b12372","","","1.54184","CuKα","","0.1693","0.1438","","","0.3202","0.3361","","","","","","0.943","","","","has coordinates,has disorder","221304","2020-10-21","18:00:00",""
"4128167","23.047","0.0012","23.047","0.0012","18.6989","0.0015","90","","90","","90","","9932.2","1.1","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-80","","","- C96 H43 F24 N3 O32 Zr6 -","- C95.9996 H42.9992 F24 N2.9996 O32 Zr6 -","- C191.999 H85.9984 F48 N5.9992 O64 Zr12 -","2","0.125","","Cao, Chen-Chen; Chen, Cheng-Xia; Wei, Zhang-Wen; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Wang, Dawei; Su, Cheng-Yong","Catalysis through Dynamic Spacer Installation of Multivariate Functionalities in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","6","2589","2593","10.1021/jacs.8b12372","","","1.54184","CuKα","","0.1774","0.1173","","","0.2937","0.3377","","","","","","0.96","","","","has coordinates,has disorder","221305","2020-10-21","18:00:00",""
"4128168","23.0903","0.0007","23.0903","0.0007","18.738","0.0016","90","","90","","90","","9990.4","1","173","2","173","2","","","","","","","","8","P 42/m m c","-P 4c 2","131","LIFM-80(Cu)","","","- C98 H46 Cu F24 I N4 O32 Zr6 -","- C98 H46 Cu F24 I N4 O32 Zr6 -","- C196 H92 Cu2 F48 I2 N8 O64 Zr12 -","2","0.125","","Cao, Chen-Chen; Chen, Cheng-Xia; Wei, Zhang-Wen; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Wang, Dawei; Su, Cheng-Yong","Catalysis through Dynamic Spacer Installation of Multivariate Functionalities in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","6","2589","2593","10.1021/jacs.8b12372","","","1.54178","CuKα","","0.1621","0.1169","","","0.3153","0.3503","","","","","","0.973","","","","has coordinates,has disorder","221306","2020-10-21","18:00:00",""
"4128169","7.7102","0.0002","12.109","0.0004","15.8056","0.0005","90","","90","","90","","1475.66","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","McLaughlin, Michael F.; Massolo, Elisabetta; Liu, Shubin; Johnson, Jeffrey S.","Enantioselective Phenolic α-Oxidation Using H<sub>2</sub>O<sub>2</sub> via an Unusual Double Dearomatization Mechanism.","Journal of the American Chemical Society","2019","141","6","2645","2651","10.1021/jacs.8b13006","","","1.54178","CuKα","","0.0284","0.0283","","","0.0933","0.0935","","","","","","0.932","","","","has coordinates","221307","2020-10-21","18:00:00",""
"4128170","12.448","0.006","16.428","0.008","19.623","0.01","72.87","0.011","78.954","0.012","70.115","0.009","3587","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80.5 H54 B F21.5 Mn N9 O8 -","- C80.7 H54 B F21.5 Mn N9 O8 -","- C161.4 H108 B2 F43 Mn2 N18 O16 -","2","1","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.71073","MoKα","","0.2466","0.0723","","","0.1019","0.1437","","","","","","0.93","","","","has coordinates","221308","2020-10-21","18:00:00",""
"4128171","45.776","0.004","45.776","0.004","14.458","0.0012","90","","90","","90","","30296","5","100","2","100","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C138 H90 B2 F40 Mn N9 O8 -","- C138 H90 B2 F40 Mn N9 O8 -","- C1104 H720 B16 F320 Mn8 N72 O64 -","8","0.5","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.41328","synchrotron","","0.0734","0.0677","","","0.1884","0.1981","","","","","","0.955","","","","has coordinates","221309","2020-10-21","18:00:00",""
"4128172","14.626","0.003","17.578","0.004","19.915","0.004","87.379","0.007","70.556","0.005","89.075","0.006","4823","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H132 K2 Mn N13 O20 -","- C96 H132 K2 Mn N13 O20 -","- C192 H264 K4 Mn2 N26 O40 -","2","1","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.71073","MoKα","","0.1757","0.0758","","","0.1636","0.2103","","","","","","0.998","","","","has coordinates","221310","2020-10-21","18:00:00",""
"4128173","37.0495","0.0015","37.0495","0.0015","14.6013","0.0006","90","","90","","90","","20042.7","1.4","100","2","100","2","","","","","","","","6","I 41","I 4bw","80","","","","- C50 H48.5 Cl4 Mn N9 O8 -","- C50 H46.5 Cl4 Mn N9 O8 -","- C800 H744 Cl64 Mn16 N144 O128 -","16","2","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.71073","MoKα","","0.1112","0.0826","","","0.2053","0.2268","","","","","","1.02","","","","has coordinates","221311","2020-10-21","18:00:00",""
"4128174","14.123","0.004","15.53","0.005","16.283","0.005","78.073","0.007","80.064","0.006","89.083","0.007","3441.1","1.8","102","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H92 K Mn N11 O15 -","- C70 H92 K Mn N11 O15 -","- C140 H184 K2 Mn2 N22 O30 -","2","1","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.71073","MoKα","","0.2102","0.0818","","","0.1993","0.2593","","","","","","0.94","","","","has coordinates","221312","2020-10-21","18:00:00",""
"4128175","39.403","0.006","39.403","0.006","16.379","0.003","90","","90","","120","","22023","6","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C88 H44 O36 S2 Zr6 -","- C88 H44 O36 S2 Zr6 -","- C264 H132 O108 S6 Zr18 -","3","0.125","","Kato, Satoshi; Otake, Ken-Ichi; Chen, Haoyuan; Akpinar, Isil; Buru, Cassandra T.; Islamoglu, Timur; Snurr, Randall Q.; Farha, Omar K.","Zirconium-Based Metal-Organic Frameworks for the Removal of Protein-Bound Uremic Toxin from Human Serum Albumin.","Journal of the American Chemical Society","2019","141","6","2568","2576","10.1021/jacs.8b12525","","","0.71073","MoKα","","0.1503","0.1162","","","0.32","0.3451","","","","","","1.078","","","","has coordinates,has disorder","221313","2020-10-21","18:00:00",""
"4128176","38.964","0.002","38.964","0.002","16.861","0.011","90","","90","","120","","22169","15","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C88 H44 O36 S2 Zr6 -","- C88 H44 O36 S2 Zr6 -","- C264 H132 O108 S6 Zr18 -","3","0.125","","Kato, Satoshi; Otake, Ken-Ichi; Chen, Haoyuan; Akpinar, Isil; Buru, Cassandra T.; Islamoglu, Timur; Snurr, Randall Q.; Farha, Omar K.","Zirconium-Based Metal-Organic Frameworks for the Removal of Protein-Bound Uremic Toxin from Human Serum Albumin.","Journal of the American Chemical Society","2019","141","6","2568","2576","10.1021/jacs.8b12525","","","0.71073","MoKα","","0.1337","0.098","","","0.2698","0.2989","","","","","","1.025","","","","has coordinates","221314","2020-10-21","18:00:00",""
"4128177","19.1024","0.0002","7.84458","0.00012","32.2257","0.0005","90","","90","","90","","4829.03","0.12","109.95","0.1","109.95","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H18 Mn N O3 -","- C28 H18 Mn N O3 -","- C224 H144 Mn8 N8 O24 -","8","1","","Hammarback, L. Anders; Robinson, Alan; Lynam, Jason M.; Fairlamb, Ian J. S.","Mechanistic Insight into Catalytic Redox-Neutral C-H Bond Activation Involving Manganese(I) Carbonyls: Catalyst Activation, Turnover, and Deactivation Pathways Reveal an Intricate Network of Steps.","Journal of the American Chemical Society","2019","141","6","2316","2328","10.1021/jacs.8b09095","","x-ray","1.54184","CuKα","","0.0637","0.0457","","","0.1022","0.1095","","","","","","1.038","","","","has coordinates","221315","2020-10-21","18:00:00",""
"4128178","12.3048","0.0011","12.3048","0.0011","21.882","0.0019","90","","90","","90","","3313.1","0.5","93","","93","","","","","","","","","8","P 41","P 4w","76","","","","- C32 H34 Cl2 F4 Ir N3 O2 S -","- C32 H34 Cl2 F4 Ir N3 O2 S -","- C128 H136 Cl8 F16 Ir4 N12 O8 S4 -","4","1","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.0248","0.0223","","","0.0461","0.0474","","","","","","0.987","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128179","14.9367","0.0007","14.9367","0.0007","27.3869","0.0017","90","","90","","120","","5291.5","0.5","123","","123","","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C32 H32 Cl F5 N2 O2 Ru S -","- C32 H32 Cl F5 N2 O2 Ru S -","- C192 H192 Cl6 F30 N12 O12 Ru6 S6 -","6","1","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.0387","0.0369","","","0.076","0.0767","","","","","","1.074","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128180","15.605","0.002","16.467","0.002","25.342","0.004","90","","90","","90","","6512.1","1.5","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 Cl F5 N2 O2 Ru S -","- C30 H28 Cl F5 N2 O2 Ru S -","- C240 H224 Cl8 F40 N16 O16 Ru8 S8 -","8","2","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.0296","0.0282","","","0.0594","0.0602","","","","","","1.095","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128181","17.11","0.003","20.318","0.003","7.9383","0.0013","90","","90","","90","","2759.7","0.8","93","","93","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C30 H29 F4 N3 O2 Ru S -","- C30 H29 F4 N3 O2 Ru S -","- C120 H116 F16 N12 O8 Ru4 S4 -","4","1","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.0639","0.0558","","","0.1014","0.106","","","","","","1.072","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128182","15.499","0.003","16.632","0.004","25.507","0.005","90","","90","","90","","6575","2","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl F4 N3 O2 Ru S -","- C30 H30 Cl F4 N3 O2 Ru S -","- C240 H240 Cl8 F32 N24 O16 Ru8 S8 -","8","2","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.1383","0.0996","","","0.2","0.2259","","","","","","1.05","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128183","35.627","0.002","9.1472","0.0007","9.3099","0.0008","90","","90","","90","","3034","0.4","293","2","293.15","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H32 Br2 N2 -","- C36 H32 Br2 N2 -","- C144 H128 Br8 N8 -","4","0.5","","Su, Lebin; Ren, Tianbing; Dong, Jianyu; Liu, Lixin; Xie, Shimin; Yuan, Lin; Zhou, Yongbo; Yin, Shuang-Feng","Cu(I)-Catalyzed 6- endo-dig Cyclization of Terminal Alkynes, 2-Bromoaryl Ketones, and Amides toward 1-Naphthylamines: Applications and Photophysical Properties.","Journal of the American Chemical Society","2019","141","6","2535","2544","10.1021/jacs.8b12495","","","0.71073","MoKα","","0.168","0.1479","","","0.2911","0.2998","","","","","","1.124","","","","has coordinates,has disorder","221317","2020-10-21","18:00:00",""
"4128184","9.4219","0.0002","11.7273","0.0002","20.2438","0.0003","85.146","0.001","82.356","0.001","70.742","0.002","2090.89","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H36 Br2 Cl4 O2 P2 Pd -","- C43 H36 Br2 Cl4 O2 P2 Pd -","- C86 H72 Br4 Cl8 O4 P4 Pd2 -","2","1","","Palani, Vignesh; Hugelshofer, Cedric L.; Kevlishvili, Ilia; Liu, Peng; Sarpong, Richmond","A Short Synthesis of Delavatine A Unveils New Insights into Site-Selective Cross-Coupling of 3,5-Dibromo-2-pyrone.","Journal of the American Chemical Society","2019","141","6","2652","2660","10.1021/jacs.8b13012","","","0.71073","MoKα","","0.0581","0.0448","","","0.1032","0.1085","","","","","","1.02","","","","has coordinates","221318","2020-10-21","18:00:00",""
"4128185","18.1079","0.0001","11.4361","0.0001","19.9348","0.0001","90","","95.68","","90","","4107.9","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H40 Br2 O4 P2 Pd -","- C41 H32 Br2 O2 P2 Pd -","- C164 H128 Br8 O8 P8 Pd4 -","4","1","","Palani, Vignesh; Hugelshofer, Cedric L.; Kevlishvili, Ilia; Liu, Peng; Sarpong, Richmond","A Short Synthesis of Delavatine A Unveils New Insights into Site-Selective Cross-Coupling of 3,5-Dibromo-2-pyrone.","Journal of the American Chemical Society","2019","141","6","2652","2660","10.1021/jacs.8b13012","","","1.54184","CuKα","","0.0694","0.0676","","","0.2063","0.208","","","","","","1.07","","","","has coordinates","221319","2020-10-21","18:00:00",""
"4128186","14.41","0.003","26.353","0.005","25.89","0.005","90","","100.82","0.03","90","","9657","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H134 Gd N7 O9 -","- C104 H134 Gd N7 O9 -","- C416 H536 Gd4 N28 O36 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.0811","0.0375","","","0.0814","0.0925","","","","","","1.02","","","","has coordinates,has disorder","221320","2020-10-21","18:00:00",""
"4128187","13.8196","0.0015","14.4869","0.0016","24.637","0.003","74.072","0.003","78.911","0.003","74.159","0.003","4526","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H130 Ce N3 O9 -","- C98 H130 Ce N3 O9 -","- C196 H260 Ce2 N6 O18 -","2","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.0804","0.0564","","","0.0889","0.095","","","","","","1.097","","","","has coordinates,has disorder","221321","2020-10-21","18:00:00",""
"4128188","14.4599","0.0002","26.1103","0.0004","25.9352","0.0005","90","","100.694","0.0014","90","","9621.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H134 N7 Nd O9 -","- C104 H134 N7 Nd O9 -","- C416 H536 N28 Nd4 O36 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","1.54178","CuKα","","0.071","0.0614","","","0.1693","0.1815","","","","","","1.167","","","","has coordinates","221322","2020-10-21","18:00:00",""
"4128189","14.4338","0.0007","26.3116","0.0012","25.959","0.0012","90","","100.947","0.002","90","","9679.2","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H134 N7 O9 Sm -","- C104 H134 N7 O9 Sm -","- C416 H536 N28 O36 Sm4 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.0533","0.0355","","","0.0812","0.0902","","","","","","1.027","","","","has coordinates","221323","2020-10-21","18:00:00",""
"4128190","14.45","0.002","26.24","0.004","25.935","0.004","90","","100.667","0.003","90","","9664","2","131","2","131","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Americium (III) Dioxophenoxazine","","","- C104 H134 Am N7 O9 -","- C104 H134 Am N7 O9 -","- C416 H536 Am4 N28 O36 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.0708","0.0535","","","0.1088","0.1137","","","","","","1.262","","","","has coordinates","221324","2020-10-21","18:00:00",""
"4128191","14.3744","0.0007","26.2457","0.0012","25.7763","0.0012","90","","100.691","0.001","90","","9555.7","0.8","131","2","131","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H134 Cf N7 O9 -","- C104 H134 Cf N7 O9 -","- C416 H536 Cf4 N28 O36 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.054","0.0354","","","0.0721","0.0787","","","","","","1.062","","","","has coordinates","221325","2020-10-21","18:00:00",""
"4128192","14.433","0.002","26.291","0.004","25.768","0.004","90","","100.908","0.004","90","","9601","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H134 Bk N7 O9 -","- C104 H134 Bk N7 O9 -","- C416 H536 Bk4 N28 O36 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.0968","0.0542","","","0.1052","0.1191","","","","","","1.016","","","","has coordinates","221326","2020-10-21","18:00:00",""
"4128193","19.467","0.0003","19.467","0.0003","92.8172","0.0014","90","","90","","120","","30461.9","0.8","100","0.1","100","0.1","","","","","","","","6","P 61","P 61","169","","","","- C191 H132 Au10 F12 O6 P8 -","- C185 H132 Au10 F3 P8 -","- C1110 H792 Au60 F18 P48 -","6","1","","Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming","Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.","Journal of the American Chemical Society","2019","141","6","2384","2390","10.1021/jacs.8b11096","","x-ray","1.54184","CuKα","","0.1204","0.112","","","0.2514","0.2564","","","","","","1.023","","","","has coordinates","221329","2020-10-21","18:00:00",""
"4128194","17.4001","0.0003","35.5243","0.0005","30.561","0.0006","90","","98.414","0.002","90","","18687.2","0.6","99.99","0.16","99.99","0.16","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C182 H128 Au9 F9 O6 P8 -","- C176 H128 Au9 P8 -","- C704 H512 Au36 P32 -","4","2","","Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming","Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.","Journal of the American Chemical Society","2019","141","6","2384","2390","10.1021/jacs.8b11096","","x-ray","1.54184","CuKα","","0.1502","0.1441","","","0.3511","0.3562","","","","","","1.038","","","","has coordinates","221332","2020-10-21","18:00:00",""
"4128195","17.3706","0.0002","35.3798","0.0004","30.3366","0.0004","90","","98.232","0.001","90","","18451.8","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C182 H128 Au9 F9 O6 P8 -","- C176 H128 Au9 P8 -","- C704 H512 Au36 P32 -","4","2","","Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming","Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.","Journal of the American Chemical Society","2019","141","6","2384","2390","10.1021/jacs.8b11096","","x-ray","1.54184","CuKα","","0.1018","0.0976","","","0.2581","0.2636","","","","","","1.038","","","","has coordinates","221333","2020-10-21","18:00:00",""
"4128196","19.362","0.0003","19.362","0.0003","92.9191","0.0011","90","","90","","120","","30167.3","0.8","100","0.1","100","0.1","","","","","","","","7","P 65","P 65","170","","","","- C193 H136 Au10 Cl4 F12 O6 P8 -","- C189 H136 Au10 Cl4 F6 O2 P8 -","- C1134 H816 Au60 Cl24 F36 O12 P48 -","6","1","","Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming","Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.","Journal of the American Chemical Society","2019","141","6","2384","2390","10.1021/jacs.8b11096","","x-ray","1.54184","CuKα","","0.1171","0.1137","","","0.2581","0.2599","","","","","","1.097","","","","has coordinates","221334","2020-10-21","18:00:00",""
"4128197","11.4109","0.0009","11.6276","0.001","16.4067","0.0013","95.899","0.004","105.824","0.004","106.2","0.003","1973.2","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H118 Ge2 Si8 -","- C76 H118 Ge2 Si8 -","- C76 H118 Ge2 Si8 -","1","0.5","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71075","MoKα","","0.0696","0.0465","","","0.0832","0.0935","","","","","","1.126","","","","has coordinates","275214","2022-05-08","21:02:07",""
"4128198","9.1996","0.0005","22.4437","0.0009","17.8293","0.001","90","","101.764","0.005","90","","3603.9","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H118 Ge2 Si8 -","- C60 H118 Ge2 Si8 -","- C120 H236 Ge4 Si16 -","2","0.5","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71073","MoKα","","0.0741","0.0479","","","0.1169","0.1289","","","","","","1.067","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128199","11.8587","0.0004","16.0807","0.0005","20.2574","0.0008","93.649","0.002","90.967","0.002","95.407","0.002","3837","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H118 Ge2 Si8 -","- C68 H118 Ge2 Si8 -","- C136 H236 Ge4 Si16 -","2","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71069","MoKα","","0.0482","0.0345","","","0.0848","0.0928","","","","","","1.072","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128200","24.367","0.0006","11.3524","0.0003","29.8468","0.0008","90","","111.303","0.0011","90","","7692.2","0.4","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C76 H118 Ge2 Si8 -","- C76 H118 Ge2 Si8 -","- C304 H472 Ge8 Si32 -","4","0.5","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71075","MoKα","","0.0972","0.0575","","","0.0847","0.0978","","","","","","1.152","","","","has coordinates","221336","2020-10-21","18:00:00",""
"4128201","15.6836","0.0006","21.5547","0.0008","22.032","0.0008","86.122","0.003","82.522","0.003","89.579","0.003","7367.8","0.5","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C61.5 H121.5 Ge2 Si8 -","- C61.5 H121.5 Ge2 Si8 -","- C246 H486 Ge8 Si32 -","4","2","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.78254","Synchrotron","","0.1448","0.0924","","","0.2097","0.2503","","","","","","1.039","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128202","31.226","0.003","11.4284","0.0008","45.092","0.004","90","","100.488","0.005","90","","15823","2","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H125 Ge2 Si8 -","- C71 H125 Ge2 Si8 -","- C568 H1000 Ge16 Si64 -","8","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.78255","Synchrotron","","0.1021","0.075","","","0.1754","0.2051","","","","","","1.056","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128203","12.7441","0.0002","15.5507","0.0002","20.9457","0.0003","69.667","0.001","75.386","0.001","68.767","0.001","3589.95","0.09","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H118 Ge2 O2 Si8 -","- C60 H118 Ge2 O2 Si8 -","- C120 H236 Ge4 O4 Si16 -","2","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71073","MoKα","","0.0326","0.0263","","","0.0609","0.0634","","","","","","1.018","","","","has coordinates","275200","2022-05-07","03:22:26",""
"4128204","12.4071","0.0003","18.3949","0.0004","19.3957","0.0008","69.422","0.002","72.001","0.002","74.049","0.001","3872.1","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H127 Ge2 Si8 -","- C65 H127 Ge2 Si8 -","- C130 H254 Ge4 Si16 -","2","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71069","MoKα","","0.0505","0.0396","","","0.0915","0.0997","","","","","","1.069","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128205","17.1325","0.0002","23.6837","0.0003","18.3085","0.0003","90","","98.113","0.001","90","","7354.52","0.18","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H118 Ge2 O2 Si8 -","- C61 H118 Ge2 O2 Si8 -","- C244 H472 Ge8 O8 Si32 -","4","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71069","MoKα","","0.0723","0.052","","","0.1306","0.1454","","","","","","1.026","","","","has coordinates,has disorder","275215","2022-05-08","21:05:18",""
"4128206","18.2543","0.0012","24.2181","0.001","20.2933","0.0011","90","","106.345","0.002","90","","8608.8","0.8","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H141 Ge2 Si8 -","- C69 H141 Ge2 Si8 -","- C276 H564 Ge8 Si32 -","4","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71069","MoKα","","0.1653","0.0953","","","0.2856","0.3436","","","","","","1.07","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128207","39.1358","0.0008","8.3463","0.0001","8.1804","0.0001","90","","90","","90","","2672.04","0.07","200","2","200","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C9 H30 Br7 N3 Pb2 -","- C9 H30 Br7 N3 Pb2 -","- C36 H120 Br28 N12 Pb8 -","4","0.5","","Li, Lina; Liu, Xitao; Li, Yaobin; Xu, Zhiyun; Wu, Zhenyue; Han, Shiguo; Tao, Kewen; Hong, Maochun; Luo, Junhua; Sun, Zhihua","Two-Dimensional Hybrid Perovskite-Type Ferroelectric for Highly Polarization-Sensitive Shortwave Photodetection.","Journal of the American Chemical Society","2019","141","6","2623","2629","10.1021/jacs.8b12948","","","0.71073","MoKα","","0.0295","0.027","","","0.0631","0.0644","","","","","","1.067","","","","has coordinates","221337","2020-10-21","18:00:00",""
"4128208","39.4594","0.0013","8.4214","0.0002","8.3557","0.0002","90","","90","","90","","2776.63","0.13","355","2","355","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H30 Br7 N3 Pb2 -","- C9 H30 Br7 N3 Pb2 -","- C36 H120 Br28 N12 Pb8 -","4","0.25","","Li, Lina; Liu, Xitao; Li, Yaobin; Xu, Zhiyun; Wu, Zhenyue; Han, Shiguo; Tao, Kewen; Hong, Maochun; Luo, Junhua; Sun, Zhihua","Two-Dimensional Hybrid Perovskite-Type Ferroelectric for Highly Polarization-Sensitive Shortwave Photodetection.","Journal of the American Chemical Society","2019","141","6","2623","2629","10.1021/jacs.8b12948","","","1.54184","CuKα","","0.0615","0.0543","","","0.1512","0.1646","","","","","","1.052","","","","has coordinates","221338","2020-10-21","18:00:00",""
"4128209","16.3025","0.0005","8.4734","0.0002","20.1181","0.0007","90","","101.383","0.003","90","","2724.4","0.14","200","0.1","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 Ir N O2 S -","- C27 H42 Ir N O2 S -","- C108 H168 Ir4 N4 O8 S4 -","4","1","","Lei, Honghui; Rovis, Tomislav","Ir-Catalyzed Intermolecular Branch-Selective Allylic C-H Amidation of Unactivated Terminal Olefins.","Journal of the American Chemical Society","2019","141","6","2268","2273","10.1021/jacs.9b00237","","x-ray","0.71073","MoKα","","0.0491","0.0341","","","0.0552","0.0616","","","","","","1.025","","","","has coordinates","221339","2020-10-21","18:00:00",""
"4128210","11.233","0.0015","13.617","0.002","13.798","0.002","84.553","0.006","70.61","0.005","81.993","0.006","1968.7","0.5","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 Cl O P Pt -","- C44 H39 Cl2 O P Pt -","- C88 H78 Cl4 O2 P2 Pt2 -","2","1","","Higashi, Takuya; Ando, Hideaki; Kusumoto, Shuhei; Nozaki, Kyoko","Metal-Ligand Cooperative C-H Bond Formation by Cyclopentadienone Platinum Complexes.","Journal of the American Chemical Society","2019","141","6","2247","2250","10.1021/jacs.8b13829","","","0.71075","MoKα","","0.0329","0.031","","","0.0717","0.073","","","","","","1.051","","","","has coordinates","221340","2020-10-21","18:00:00",""
"4128211","9.95","0.003","19.942","0.006","17.567","0.006","90","","104.988","0.004","90","","3367.1","1.8","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","PtMe2_Ptethered","","","- C44 H37 O P Pt -","- C44 H37 O P Pt -","- C176 H148 O4 P4 Pt4 -","4","1","","Higashi, Takuya; Ando, Hideaki; Kusumoto, Shuhei; Nozaki, Kyoko","Metal-Ligand Cooperative C-H Bond Formation by Cyclopentadienone Platinum Complexes.","Journal of the American Chemical Society","2019","141","6","2247","2250","10.1021/jacs.8b13829","","","0.71075","MoKα","","0.0946","0.0864","","","0.1565","0.1598","","","","","","1.301","","","","has coordinates,has disorder","221341","2020-10-21","18:00:00",""
"4128212","12.32","0.003","17.797","0.004","17.235","0.004","90","","91.204","0.003","90","","3778.1","1.5","123","","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H34 F3 O3 P Pt -","- C45 H34 F3 O3 P Pt -","- C180 H136 F12 O12 P4 Pt4 -","4","1","","Higashi, Takuya; Ando, Hideaki; Kusumoto, Shuhei; Nozaki, Kyoko","Metal-Ligand Cooperative C-H Bond Formation by Cyclopentadienone Platinum Complexes.","Journal of the American Chemical Society","2019","141","6","2247","2250","10.1021/jacs.8b13829","","","0.71075","MoKα","","0.0877","0.0626","","","0.1118","0.1258","","","","","","1.087","","","","has coordinates","221342","2020-10-21","18:00:00",""
"4128213","17.5592","0.001","20.0983","0.0012","20.2944","0.0011","90","","99.695","0.001","90","","7059.8","0.7","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H69 B F24 Ir P -","- C74 H69 B F24 Ir P -","- C296 H276 B4 F96 Ir4 P4 -","4","1","","Moreno, Juan J.; Espada, María F; Campos, Jesús; López-Serrano, Joaquín; Macgregor, Stuart A.; Carmona, Ernesto","Base-Promoted, Remote C-H Activation at a Cationic (η<sup>5</sup>-C<sub>5</sub>Me<sub>5</sub>)Ir(III) Center Involving Reversible C-C Bond Formation of Bound C<sub>5</sub>Me<sub>5</sub>.","Journal of the American Chemical Society","2019","141","6","2205","2210","10.1021/jacs.8b11752","","","0.71073","MoKα","","0.0288","0.0239","","","0.0597","0.0623","","","","","","1.043","","","","has coordinates","221343","2020-10-21","18:00:00",""
"4128214","12.8963","0.0005","19.5146","0.0008","13.2343","0.0005","90","","96.898","0.001","90","","3306.5","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H54 B Cl F24 Ir P -","- C66 H54 B Cl F24 Ir P -","- C132 H108 B2 Cl2 F48 Ir2 P2 -","2","1","","Moreno, Juan J.; Espada, María F; Campos, Jesús; López-Serrano, Joaquín; Macgregor, Stuart A.; Carmona, Ernesto","Base-Promoted, Remote C-H Activation at a Cationic (η<sup>5</sup>-C<sub>5</sub>Me<sub>5</sub>)Ir(III) Center Involving Reversible C-C Bond Formation of Bound C<sub>5</sub>Me<sub>5</sub>.","Journal of the American Chemical Society","2019","141","6","2205","2210","10.1021/jacs.8b11752","","","0.71073","MoKα","","0.0227","0.0217","","","0.0565","0.0572","","","","","","1.046","","","","has coordinates,has disorder","221344","2020-10-21","18:00:00",""
"4128215","12.4064","0.0002","26.1504","0.0004","22.9127","0.0004","90","","99.377","0.001","90","","7334.3","0.2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H71 B Cl2 F24 Ir P -","- C75 H71 B Cl2 F24 Ir P -","- C300 H284 B4 Cl8 F96 Ir4 P4 -","4","1","","Moreno, Juan J.; Espada, María F; Campos, Jesús; López-Serrano, Joaquín; Macgregor, Stuart A.; Carmona, Ernesto","Base-Promoted, Remote C-H Activation at a Cationic (η<sup>5</sup>-C<sub>5</sub>Me<sub>5</sub>)Ir(III) Center Involving Reversible C-C Bond Formation of Bound C<sub>5</sub>Me<sub>5</sub>.","Journal of the American Chemical Society","2019","141","6","2205","2210","10.1021/jacs.8b11752","","","0.71073","MoKα","","0.0653","0.0423","","","0.1021","0.1131","","","","","","1.029","","","","has coordinates","221345","2020-10-21","18:00:00",""
"4128216","10.558","0.004","7.3823","0.001","22.505","0.004","90","","100.12","0.02","90","","1726.8","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H49 N5 O8 Si2 -","- C27 H49 N5 O8 Si2 -","- C54 H98 N10 O16 Si4 -","2","1","","Ushimaru, Richiro; Liu, Hung-Wen","Biosynthetic Origin of the Atypical Stereochemistry in the Thioheptose Core of Albomycin Nucleoside Antibiotics.","Journal of the American Chemical Society","2019","141","6","2211","2214","10.1021/jacs.8b12565","","","1.54184","CuKα","","0.1626","0.1036","","","0.2184","0.2609","","","","","","1.01","","","","has coordinates","221346","2020-10-21","18:00:00",""
"4128217","14.7106","0.0004","14.7106","0.0004","14.6565","0.0007","90","","90","","120","","2746.77","0.17","100","2","100","2","","","","","","","","3","P 32","P 32","145","mestranol rotor","(8R,8'R,9S,9'S,13S,13'S,14S,14'S,17S,17'S)-17,17'-(1,4-phenylenebis(ethyne-2,1-diyl))bis(3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol","","- C48 H54 O4 -","- C48 H54 O4 -","- C144 H162 O12 -","3","1","","Pérez-Estrada, Salvador; Rodríguez-Molina, Braulio; Maverick, Emily F.; Khan, Saeed I.; Garcia-Garibay, Miguel A","Throwing in a Monkey Wrench to Test and Determine Geared Motion in the Dynamics of a Crystalline One-Dimensional (1D) Columnar Rotor Array.","Journal of the American Chemical Society","2019","141","6","2413","2420","10.1021/jacs.8b11385","","","0.7749","synchrotron","","0.0507","0.0419","","","0.0932","0.098","","","","","","1.048","","","","has coordinates,has disorder","221347","2020-10-21","18:00:00",""
"4128218","14.758","0.004","14.758","0.004","14.683","0.004","90","","90","","120","","2769.5","1.3","100","2","100","2","","","","","","","","4","P 32","P 32","145","Solid solution 1(1-x)2x, x=0.2 where 1 is the mestranol rotor and 2 is the difluoromestranol rotor","Solid solution of (8R,8'R,9S,9'S,13S,13'S,14S,14'S,17S,17'S)-17,17'-(1,4-phenylenebis(ethyne-2,1-diyl))bis(3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol (80%) and solute, same compound containing 2,3-difluorophenylene, (20%)","","- C48 H53.6 F0.4 O4 -","- C48 H53.6 F0.4 O4 -","- C144 H160.8 F1.2 O12 -","3","1","","Pérez-Estrada, Salvador; Rodríguez-Molina, Braulio; Maverick, Emily F.; Khan, Saeed I.; Garcia-Garibay, Miguel A","Throwing in a Monkey Wrench to Test and Determine Geared Motion in the Dynamics of a Crystalline One-Dimensional (1D) Columnar Rotor Array.","Journal of the American Chemical Society","2019","141","6","2413","2420","10.1021/jacs.8b11385","","","0.71073","MoKα","","0.0712","0.0509","","","0.1082","0.119","","","","","","1.047","","","","has coordinates,has disorder","221348","2020-10-21","18:00:00",""
"4128219","23.454","0.007","11.71","0.003","23.712","0.007","90","","110.676","0.012","90","","6093","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H94 N2 Si4 Ti4 -","- C54 H94 N2 Si4 Ti4 -","- C216 H376 N8 Si16 Ti16 -","4","0.5","","Shima, Takanori; Luo, Gen; Hu, Shaowei; Luo, Yi; Hou, Zhaomin","Experimental and Computational Studies of Dinitrogen Activation and Hydrogenation at a Tetranuclear Titanium Imide/Hydride Framework.","Journal of the American Chemical Society","2019","141","6","2713","2720","10.1021/jacs.8b13341","","","0.71073","MoKα","","0.1105","0.0695","","","0.1808","0.2101","","","","","","1.028","","","","has coordinates","221349","2020-10-21","18:00:00",""
"4128220","24.388","0.005","12.082","0.002","21.574","0.004","90","","108.838","0.003","90","","6016.4","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H94 N4 Si4 Ti4 -","- C54 H94 N4 Si4 Ti4 -","- C216 H376 N16 Si16 Ti16 -","4","0.5","","Shima, Takanori; Luo, Gen; Hu, Shaowei; Luo, Yi; Hou, Zhaomin","Experimental and Computational Studies of Dinitrogen Activation and Hydrogenation at a Tetranuclear Titanium Imide/Hydride Framework.","Journal of the American Chemical Society","2019","141","6","2713","2720","10.1021/jacs.8b13341","","","0.71073","MoKα","","0.109","0.0503","","","0.0939","0.1059","","","","","","0.827","","","","has coordinates","221349","2020-10-21","18:00:00",""
"4128221","17.2175","0.0007","17.2175","0.0007","41.838","0.002","90","","90","","90","","12402.6","0.9","100","2","100.02","","","","","","","","","5","P 43","P 4cw","78","","","","- C40 H66 N2 O2 Zr -","- C40 H66 N2 O2 Zr -","- C480 H792 N24 O24 Zr12 -","12","3","","Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.","Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.","Journal of the American Chemical Society","2019","141","19","7822","7830","10.1021/jacs.9b01445","","","0.71073","MoKα","","0.0897","0.0706","","","0.1616","0.1717","","","","","","1.086","","","","has coordinates","221350","2020-10-21","18:00:00",""
"4128222","9.5295","0.0019","12.293","0.003","13.196","0.003","103.64","0.03","98.59","0.03","105.65","0.03","1408.6","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H48 N4 O Zr -","- C25 H48 N4 O Zr -","- C50 H96 N8 O2 Zr2 -","2","1","","Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.","Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.","Journal of the American Chemical Society","2019","141","19","7822","7830","10.1021/jacs.9b01445","","","0.71073","MoKα","","0.0397","0.0358","","","0.0969","0.0999","","","","","","1.067","","","","has coordinates,has disorder","221351","2020-10-21","18:00:00",""
"4128223","20.2677","0.0012","12.6644","0.0008","19.577","0.0012","90","","100.055","0.003","90","","4947.8","0.5","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H42 Al N O -","- C23.5 H42 Al N O -","- C188 H336 Al8 N8 O8 -","8","1","","Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.","Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.","Journal of the American Chemical Society","2019","141","19","7822","7830","10.1021/jacs.9b01445","","","1.54178","CuKα","","0.0453","0.0443","","","0.1121","0.1128","","","","","","1.126","","","","has coordinates,has disorder","221352","2020-10-21","18:00:00",""
"4128224","22.969","0.002","18.6514","0.0016","13.3922","0.0012","90","","124.639","0.002","90","","4720.3","0.7","100","2","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H72 N4 O2 Zr -","- C42 H72 N4 O2 Zr -","- C168 H288 N16 O8 Zr4 -","4","0.5","","Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.","Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.","Journal of the American Chemical Society","2019","141","19","7822","7830","10.1021/jacs.9b01445","","","1.54178","CuKα","","0.0244","0.0241","","","0.0614","0.0616","","","","","","1.052","","","","has coordinates","221353","2020-10-21","18:00:00",""
"4128225","34.428","0.004","7.6685","0.0008","20.142","0.002","90","","102.221","0.003","90","","5197.2","1","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H76 Cl2 N2 O2 Zr -","- C52 H74.91 Cl2 N2 O2 Zr -","- C208 H299.64 Cl8 N8 O8 Zr4 -","4","0.5","","Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.","Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.","Journal of the American Chemical Society","2019","141","19","7822","7830","10.1021/jacs.9b01445","","","1.54178","CuKα","","0.0342","0.0326","","","0.0811","0.0827","","","","","","1.071","","","","has coordinates,has disorder","221354","2020-10-21","18:00:00",""
"4128226","7.1091","0.0003","11.7371","0.0004","9.2881","0.0003","90","","110.232","0.001","90","","727.18","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Zhou, Zhiyao; Gao, Alison X.; Snyder, Scott A.","Total Synthesis of (+)-Arborisidine.","Journal of the American Chemical Society","2019","141","19","7715","7720","10.1021/jacs.9b03248","","","0.71073","MoKα","","0.0386","0.0349","","","0.086","0.0882","","","","","","1.097","","","","has coordinates","221355","2020-10-21","18:00:00",""
"4128227","9.1101","0.0014","18.432","0.003","18.462","0.003","90","","98.345","0.005","90","","3067.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","2","","Zhou, Zhiyao; Gao, Alison X.; Snyder, Scott A.","Total Synthesis of (+)-Arborisidine.","Journal of the American Chemical Society","2019","141","19","7715","7720","10.1021/jacs.9b03248","","","0.71073","MoKα","","0.0566","0.0392","","","0.0918","0.1005","","","","","","1.028","","","","has coordinates","221356","2020-10-21","18:00:00",""
"4128228","15.1133","0.0006","21.356","0.0008","12.8671","0.0009","90","","115.83","0.001","90","","3738.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 F3 N2 O3 -","- C21 H21 F3 N2 O3 -","- C168 H168 F24 N16 O24 -","8","1","","Zhou, Zhiyao; Gao, Alison X.; Snyder, Scott A.","Total Synthesis of (+)-Arborisidine.","Journal of the American Chemical Society","2019","141","19","7715","7720","10.1021/jacs.9b03248","","","0.71073","MoKα","","0.0474","0.0382","","","0.0947","0.1012","","","","","","1.023","","","","has coordinates","221357","2020-10-21","18:00:00",""
"4128229","6.9349","0.0003","7.4039","0.0003","13.677","0.0005","90","","91.735","0.002","90","","701.93","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C36 H40 N4 O2 -","2","1","","Zhou, Zhiyao; Gao, Alison X.; Snyder, Scott A.","Total Synthesis of (+)-Arborisidine.","Journal of the American Chemical Society","2019","141","19","7715","7720","10.1021/jacs.9b03248","","","0.71073","MoKα","","0.0348","0.031","","","0.0749","0.0774","","","","","","1.061","","","","has coordinates","221358","2020-10-21","18:00:00",""
"4128230","12.9009","0.001","12.9009","0.001","18.2641","0.001","90","","90","","120","","2632.5","0.3","150","2","150.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C24 H12 Fe3 N3 O16 -","- C24 H12 Fe3 N3 O16 -","- C48 H24 Fe6 N6 O32 -","2","0.0833333","","Wei, Yong-Sheng; Zhang, Mei; Kitta, Mitsunori; Liu, Zheng; Horike, Satoshi; Xu, Qiang","A Single-Crystal Open-Capsule Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","19","7906","7916","10.1021/jacs.9b02417","","","0.71073","MoKα","","0.0833","0.0626","","","0.2096","0.2274","","","","","","1.159","","","","has coordinates","221359","2020-10-21","18:00:00",""
"4128231","16.8853","0.0004","16.8853","0.0004","14.8612","0.0005","90","","90","","120","","3669.46","0.17","150","2","150.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H20 Fe3 N7 O13 -","- C44.0001 H20.0013 Fe3 N6.9999 O13 -","- C88.0002 H40.0026 Fe6 N13.9998 O26 -","2","0.0833333","","Wei, Yong-Sheng; Zhang, Mei; Kitta, Mitsunori; Liu, Zheng; Horike, Satoshi; Xu, Qiang","A Single-Crystal Open-Capsule Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","19","7906","7916","10.1021/jacs.9b02417","","","0.71073","MoKα","","0.0465","0.0416","","","0.1281","0.1318","","","","","","1.066","","","","has coordinates,has disorder","221360","2020-10-21","18:00:00",""
"4128232","26.274","0.003","26.274","0.003","26.274","0.003","90","","90","","90","","18138","4","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C144 H96 Cu24 O120 -","- C144 H96 Cu24 O120 -","- C288 H192 Cu48 O240 -","2","0.0104167","","Song, Dahae; Bae, Jinhee; Ji, Hoon; Kim, Min-Bum; Bae, Youn-Sang; Park, Kyo Sung; Moon, Dohyun; Jeong, Nak Cheon","Coordinative Reduction of Metal Nodes Enhances the Hydrolytic Stability of a Paddlewheel Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","19","7853","7864","10.1021/jacs.9b02114","","","0.61","synchrotron","","0.0399","0.0342","","","0.0977","0.1","","","","","","1.111","","","","has coordinates","221361","2020-10-21","18:00:00",""
"4128233","26.303","0.003","26.303","0.003","26.303","0.003","90","","90","","90","","18198","4","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C209.6 H146.4 Cu28 N32.8 O96 -","- C209.6 H146.41 Cu28 N32.8 O96 -","- C419.2 H292.819 Cu56 N65.6 O192 -","2","0.0104167","","Song, Dahae; Bae, Jinhee; Ji, Hoon; Kim, Min-Bum; Bae, Youn-Sang; Park, Kyo Sung; Moon, Dohyun; Jeong, Nak Cheon","Coordinative Reduction of Metal Nodes Enhances the Hydrolytic Stability of a Paddlewheel Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","19","7853","7864","10.1021/jacs.9b02114","","","0.61","synchrotron","","0.0721","0.0696","","","0.2386","0.2407","","","","","","1.188","","","","has coordinates","221362","2020-10-21","18:00:00",""
"4128234","25.075","0.0002","25.075","0.0002","57.2801","0.0007","90","","90","","120","","31190.1","0.5","123","2","123","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C87 H75 Mo9 N3 O31 P4 -","- C87 H75 Mo9 N3 O31 P4 -","- C1044 H900 Mo108 N36 O372 P48 -","12","0.333333","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.0801","0.056","","","0.1641","0.1865","","","","","","1.075","","","","has coordinates","221363","2020-10-21","18:00:00",""
"4128235","18.4306","0.0002","21.7192","0.0002","26.7317","0.0003","90","","90","","90","","10700.6","0.19","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C63 H15 Mo9 N6 O31 P -","- C63 H15 Mo9 N6 O31 P -","- C252 H60 Mo36 N24 O124 P4 -","4","1","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.0603","0.0538","","","0.1612","0.1689","","","","","","1.068","","","","has coordinates","221363","2020-10-21","18:00:00",""
"4128236","34.5995","0.0003","21.4956","0.0002","27.1188","0.0002","90","","90","","90","","20169.3","0.3","123","2","123","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C94 H24 Mo18 N10 O62 P2 -","- C94 H24 Mo18 N10 O62 P2 -","- C376 H96 Mo72 N40 O248 P8 -","4","0.5","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.1059","0.0816","","","0.2441","0.2702","","","","","","1.03","","","","has coordinates","221363","2020-10-21","18:00:00",""
"4128237","38.3334","0.0002","33.8624","0.0003","42.0755","0.0003","90","","101.282","0.001","90","","53561.2","0.7","123","2","123","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C320 H261 Cl0 Mo36 N21 O125 P13 -","- C320 H261 Mo36 N21 O125 P13 -","- C1280 H1044 Mo144 N84 O500 P52 -","4","1","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.0782","0.0622","","","0.175","0.1951","","","","","","1.011","","","","has coordinates","221363","2020-10-21","18:00:00",""
"4128238","30.0613","0.0002","27.2811","0.0002","67.4589","0.0007","90","","98.1644","0.0003","90","","54762.7","0.8","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C280 H218 Mo36 N20 O126 P11 -","- C280 H218 Mo36 N20 O126 P11 -","- C1120 H872 Mo144 N80 O504 P44 -","4","1","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.1398","0.1012","","","0.27","0.3085","","","","","","1.036","","","","has coordinates,has disorder","221363","2020-10-21","18:00:00",""
"4128239","21.3407","0.0014","15.3842","0.0014","21.633","0.002","90","","113.749","0.006","90","","6500.9","1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H43 F24 N15 Ni2 P4 -","- C60 H40 F24 N15 Ni2 P4 -","- C240 H160 F96 N60 Ni8 P16 -","4","0.5","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Platunov, Mikhail; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","Using Redox-Active π Bridging Ligand as a Control Switch of Intramolecular Magnetic Interactions.","Journal of the American Chemical Society","2019","141","19","7721","7725","10.1021/jacs.9b03044","","","0.71073","MoKα","","0.1134","0.0693","","","0.1759","0.2008","","","","","","1.104","","","","has coordinates","221364","2020-10-21","18:00:00",""
"4128240","33.43","0.003","12.9935","0.0016","16.4397","0.0019","90","","114.415","0.005","90","","6502.4","1.3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H54 F18 N12 Ni2 O2 P3 -","- C62 H54 F18 N12 Ni2 O2 P3 -","- C248 H216 F72 N48 Ni8 O8 P12 -","4","0.5","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Platunov, Mikhail; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","Using Redox-Active π Bridging Ligand as a Control Switch of Intramolecular Magnetic Interactions.","Journal of the American Chemical Society","2019","141","19","7721","7725","10.1021/jacs.9b03044","","","0.71073","MoKα","","0.0929","0.0596","","","0.154","0.1759","","","","","","1.098","","","","has coordinates,has disorder","221365","2020-10-21","18:00:00",""
"4128241","8.9028","0.0006","20.1557","0.0012","15.2276","0.0011","90","","98.903","0.003","90","","2699.6","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H44 F12 N12 Ni2 O P2 -","- C54 H34 F12 N12 Ni2 P2 -","- C108 H68 F24 N24 Ni4 P4 -","2","0.5","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Platunov, Mikhail; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","Using Redox-Active π Bridging Ligand as a Control Switch of Intramolecular Magnetic Interactions.","Journal of the American Chemical Society","2019","141","19","7721","7725","10.1021/jacs.9b03044","","","0.71073","MoKα","","0.0967","0.0653","","","0.1507","0.1629","","","","","","1.09","","","","has coordinates","221366","2020-10-21","18:00:00",""
"4128242","22.2715","0.0004","7.77098","0.0001","21.1732","0.0003","90","","108.487","","90","","3475.37","0.09","93","","93","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C39 H16 B Cl F20 -","- C39 H16 B Cl F20 -","- C156 H64 B4 Cl4 F80 -","4","1","","Nakajima, Misuzu; Miyamoto, Kazunori; Hirano, Keiichi; Uchiyama, Masanobu","Diaryl-λ<sup>3</sup>-chloranes: Versatile Synthesis and Unique Reactivity as Aryl Cation Equivalent.","Journal of the American Chemical Society","2019","141","16","6499","6503","10.1021/jacs.9b02436","","","1.54187","CuKα","","","0.034","","","","0.0717","","","","","","1.161","","","","has coordinates","221367","2020-10-21","18:00:00",""
"4128243","13.5363","0.0009","15.7638","0.0013","17.5101","0.0013","75.265","0.007","78.398","0.006","86.169","0.006","3539.2","0.5","100","","100","","","","","","","","","2","P -1","-P 1","2","","","","- C73 H12 -","- C73 H12 -","- C292 H48 -","4","2","","Tian, Han-Rui; Chen, Miao-Miao; Wang, Kai; Chen, Zuo-Chang; Fu, Chao-Yong; Zhang, Qianyan; Li, Shu-Hui; Deng, Shun-Liu; Yao, Yang-Rong; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","An Unconventional Hydrofullerene C<sub>66</sub>H<sub>4</sub> with Symmetric Heptagons Retrieved in Low-Pressure Combustion.","Journal of the American Chemical Society","2019","141","16","6651","6657","10.1021/jacs.9b01638","","x-ray","1.54184","CuKα","","0.1469","0.1094","","","0.3281","0.3511","","","","","","1.108","","","","has coordinates,has disorder","221368","2020-10-21","18:00:00",""
"4128244","10.5145","0.0002","12.1928","0.0003","29.5112","0.0007","90","","90","","90","","3783.37","0.15","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F3 N2 -","- C22 H19 F3 N2 -","- C176 H152 F24 N16 -","8","2","","Kwon, Yongseok; Li, Junqi; Reid, Jolene P.; Crawford, Jennifer M.; Jacob, Roxane; Sigman, Matthew S.; Toste, F. Dean; Miller, Scott J.","Disparate Catalytic Scaffolds for Atroposelective Cyclodehydration.","Journal of the American Chemical Society","2019","141","16","6698","6705","10.1021/jacs.9b01911","","","1.54184","CuKα","","0.037","0.0323","","","0.0769","0.0798","","","","","","1.052","","","","has coordinates","221369","2020-10-21","18:00:00",""
"4128245","11.3484","0.0006","13.5641","0.0006","16.0193","0.0016","93.97","0.005","107.494","0.007","110.87","0.005","2154.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Azo-TxSB 1","","- C50 H42 F24 N14 P4 -","- C50 H42 F24 N14 P4 -","- C50 H42 F24 N14 P4 -","1","0.5","","Chi, Xiaodong; Cen, Wanglai; Queenan, Jack A.; Long, Lingliang; Lynch, Vincent M.; Khashab, Niveen M.; Sessler, Jonathan L.","Azobenzene-Bridged Expanded ""Texas-sized"" Box: A Dual-Responsive Receptor for Aryl Dianion Encapsulation.","Journal of the American Chemical Society","2019","141","16","6468","6472","10.1021/jacs.9b01241","","","1.54184","CuKα","","0.0985","0.0766","","","0.2073","0.2265","","","","","","1.048","","","","has coordinates","221370","2020-10-21","18:00:00",""
"4128246","13.4584","0.0005","13.8392","0.0005","22.8632","0.0009","90","","97.809","0.002","90","","4218.9","0.3","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 F3 Fe N8 O4 S -","- C44 H51 F3 Fe N8 O4 S -","- C176 H204 F12 Fe4 N32 O16 S4 -","4","1","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","","0.71073","MoKα","","0.045","0.0355","","","0.0904","0.1009","","","","","","1.105","","","","has coordinates","221371","2020-10-21","18:00:00",""
"4128247","18.2527","0.0004","21.281","0.0004","24.4192","0.0005","90","","90","","90","","9485.3","0.3","100","2","99.98","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H50 F6 Fe N8 O6 S2 -","- C45 H50 F6 Fe N8 O6 S2 -","- C360 H400 F48 Fe8 N64 O48 S16 -","8","1","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","x-ray","0.71073","MoKα","","0.0716","0.0568","","","0.1381","0.1497","","","","","","1.031","","","","has coordinates,has disorder","221372","2020-10-21","18:00:00",""
"4128248","12.6444","0.0005","15.572","0.0007","20.5734","0.0009","90","","97.7","0.001","90","","4014.3","0.3","100","2","100.01","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46.96 Cl0.04 F3 Fe N7 O3.96 S -","- C42 H46.961 Cl0.039 F3 Fe N7 O3.961 S -","- C168 H187.844 Cl0.156 F12 Fe4 N28 O15.844 S4 -","4","1","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","","0.71073","MoKα","","0.0443","0.0395","","","0.1004","0.1032","","","","","","1.053","","","","has coordinates,has disorder","221373","2020-10-21","18:00:00",""
"4128249","13.5964","0.0007","9.6432","0.0005","17.6757","0.0009","90","","90","","90","","2317.5","0.2","100","2","100","","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C43 H48 F6 Fe N7 O7 S2 -","- C43 H48 F6 Fe N7 O7 S2 -","- C86 H96 F12 Fe2 N14 O14 S4 -","2","0.5","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","x-ray","0.71073","MoKα","","0.0687","0.0682","","","0.165","0.1652","","","","","","1.117","","","","has coordinates,has disorder","287929","2023-12-01","12:09:56",""
"4128250","24.1058","0.0007","14.1272","0.0004","13.1675","0.0004","90","","107.411","0.001","90","","4278.7","0.2","100","2","99.99","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C42 H49 Cl2 Fe N7 O -","- C42 H49 Cl2 Fe N7 O -","- C168 H196 Cl8 Fe4 N28 O4 -","4","0.5","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","","0.71073","MoKα","","0.0372","0.0344","","","0.0874","0.0893","","","","","","1.072","","","","has coordinates","221375","2020-10-21","18:00:00",""
"4128251","21.1703","0.0005","21.1703","0.0005","22.7806","0.0006","90","","90","","120","","8842","0.4","100","","100","","","","","","","","","6","P 61","P 61","169","","","","- C54 H58 F N O19 S -","- C54 H58 F N O19 S -","- C324 H348 F6 N6 O114 S6 -","6","1","","Lo, Hong-Jay; Krasnova, Larissa; Dey, Supriya; Cheng, Ting; Liu, Haitian; Tsai, Tsung-I; Wu, Kevin Binchia; Wu, Chung-Yi; Wong, Chi-Huey","Synthesis of Sialidase-Resistant Oligosaccharide and Antibody Glycoform Containing α2,6-Linked 3F<sup>ax</sup>-Neu5Ac.","Journal of the American Chemical Society","2019","141","16","6484","6488","10.1021/jacs.9b01991","","x-ray","1.54178","CuKα","","0.0386","0.0343","","","0.0933","0.097","","","","","","1.035","","","","has coordinates,has disorder","221376","2020-10-21","18:00:00",""
"4128252","14.276","0.0013","43.86","0.004","26.515","0.002","90","","101.185","0.003","90","","16287","2","103","2","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C144 H184 F12 N4 O16 P8 Pt4 S4 -","- C144 H184 F12 N4 O16 P8 Pt4 S4 -","- C576 H736 F48 N16 O64 P32 Pt16 S16 -","4","1","","Shi, Bingbing; Liu, Yuezhou; Zhu, Huangtianzhi; Vanderlinden, Ryan T.; Shangguan, Liqing; Ni, Ruidong; Acharyya, Koushik; Tang, Jian-Hong; Zhou, Zhixuan; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Spontaneous Formation of a Cross-Linked Supramolecular Polymer Both in the Solid State and in Solution, Driven by Platinum(II) Metallacycle-Based Host-Guest Interactions.","Journal of the American Chemical Society","2019","141","16","6494","6498","10.1021/jacs.9b02281","","","0.71073","MoKα","","0.1174","0.1001","","","0.2169","0.2254","","","","","","1.228","","","","has coordinates,has disorder","221377","2020-10-21","18:00:00",""
"4128253","8.8554","0.0003","8.816","0.0003","50.7233","0.0017","90","","92.385","0.002","90","","3956.5","0.2","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 F12 N7 O2 P2 Ru -","- C36 H37 F12 N7 O2 P2 Ru -","- C144 H148 F48 N28 O8 P8 Ru4 -","4","1","","Gonell, Sergio; Massey, Marsha D.; Moseley, Ian P.; Schauer, Cynthia K.; Muckerman, James T.; Miller, Alexander J. M.","The Trans Effect in Electrocatalytic CO<sub>2</sub> Reduction: Mechanistic Studies of Asymmetric Ruthenium Pyridyl-Carbene Catalysts.","Journal of the American Chemical Society","2019","141","16","6658","6671","10.1021/jacs.9b01735","","","1.54178","CuKα","","0.0462","0.0365","","","0.079","0.0832","","","","","","1.048","","","","has coordinates","221378","2020-10-21","18:00:00",""
"4128254","13.637","0.0006","17.224","0.0007","16.2229","0.0007","90","","109.735","0.001","90","","3586.7","0.3","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 F12 N6 O2 P2 Ru -","- C32 H28 F12 N6 O2 P2 Ru -","- C128 H112 F48 N24 O8 P8 Ru4 -","4","1","","Gonell, Sergio; Massey, Marsha D.; Moseley, Ian P.; Schauer, Cynthia K.; Muckerman, James T.; Miller, Alexander J. M.","The Trans Effect in Electrocatalytic CO<sub>2</sub> Reduction: Mechanistic Studies of Asymmetric Ruthenium Pyridyl-Carbene Catalysts.","Journal of the American Chemical Society","2019","141","16","6658","6671","10.1021/jacs.9b01735","","","1.54178","CuKα","","0.0528","0.0408","","","0.1025","0.1169","","","","","","1.13","","","","has coordinates,has disorder","221378","2020-10-21","18:00:00",""
"4128255","14.0654","0.0011","18.8075","0.0013","15.5986","0.0011","90","","114.047","0.004","90","","3768.3","0.5","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36.08 H19 F6 N6 O10 Ru S2 -","- C36.0833 H19 F6 N6 O10 Ru S2 -","- C144.333 H76 F24 N24 O40 Ru4 S8 -","4","1","","Gonell, Sergio; Massey, Marsha D.; Moseley, Ian P.; Schauer, Cynthia K.; Muckerman, James T.; Miller, Alexander J. M.","The Trans Effect in Electrocatalytic CO<sub>2</sub> Reduction: Mechanistic Studies of Asymmetric Ruthenium Pyridyl-Carbene Catalysts.","Journal of the American Chemical Society","2019","141","16","6658","6671","10.1021/jacs.9b01735","","","1.54178","CuKα","","0.0556","0.0465","","","0.1168","0.1231","","","","","","1.063","","","","has coordinates,has disorder","221378","2020-10-21","18:00:00",""
"4128256","13.8835","0.0002","13.7039","0.0003","11.1974","0.0002","90","","96.2374","0.0017","90","","2117.78","0.07","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 O3 -","- C26 H30 O3 -","- C104 H120 O12 -","4","1","","Zhu, Yuxiang; Colomer, Ignacio; Thompson, Amber L.; Donohoe, Timothy J.","HFIP Solvent Enables Alcohols To Act as Alkylating Agents in Stereoselective Heterocyclization.","Journal of the American Chemical Society","2019","141","16","6489","6493","10.1021/jacs.9b02198","","","1.54184","CuKα","","0.05","0.0418","","0.1167","0.1079","0.1167","","","","","","0.9961","","","","has coordinates","221379","2020-10-21","18:00:00",""
"4128257","26.112","0.0003","7.1996","0.0001","29.268","0.0003","90","","94.2377","0.001","90","","5487.22","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 I O3 -","- C33 H29 I O3 -","- C264 H232 I8 O24 -","8","2","","Zhu, Yuxiang; Colomer, Ignacio; Thompson, Amber L.; Donohoe, Timothy J.","HFIP Solvent Enables Alcohols To Act as Alkylating Agents in Stereoselective Heterocyclization.","Journal of the American Chemical Society","2019","141","16","6489","6493","10.1021/jacs.9b02198","","","0.6889","Synchrotron","","0.1101","0.0818","","0.0916","0.0857","0.0847","","","","","","1.0369","","","","has coordinates","221379","2020-10-21","18:00:00",""
"4128258","7.1504","0.0006","13.4353","0.0011","27.972","0.002","80.848","0.004","87.913","0.004","83.603","0.004","2636","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C22 H23 Br F6 Mn N4 O3 P -","- C22 H23 Br F6 Mn N4 O3 P -","- C88 H92 Br4 F24 Mn4 N16 O12 P4 -","4","2","","Sung, Siyoung; Li, Xiaohui; Wolf, Lucienna M.; Meeder, Jeremy R.; Bhuvanesh, Nattamai S.; Grice, Kyle A.; Panetier, Julien A.; Nippe, Michael","Synergistic Effects of Imidazolium-Functionalization on fac-Mn(CO)<sub>3</sub> Bipyridine Catalyst Platforms for Electrocatalytic Carbon Dioxide Reduction.","Journal of the American Chemical Society","2019","141","16","6569","6582","10.1021/jacs.8b13657","","","1.54178","CuKα","","0.1243","0.1186","","","0.3174","0.335","","","","","","1.474","","","","has coordinates","221380","2020-10-21","18:00:00",""
"4128259","7.7267","0.0001","29.1116","0.0005","10.7432","0.0002","90","","107.91","0.0008","90","","2299.44","0.07","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br F6 Mn N4 O3 P -","- C19 H17 Br F6 Mn N4 O3 P -","- C76 H68 Br4 F24 Mn4 N16 O12 P4 -","4","1","","Sung, Siyoung; Li, Xiaohui; Wolf, Lucienna M.; Meeder, Jeremy R.; Bhuvanesh, Nattamai S.; Grice, Kyle A.; Panetier, Julien A.; Nippe, Michael","Synergistic Effects of Imidazolium-Functionalization on fac-Mn(CO)<sub>3</sub> Bipyridine Catalyst Platforms for Electrocatalytic Carbon Dioxide Reduction.","Journal of the American Chemical Society","2019","141","16","6569","6582","10.1021/jacs.8b13657","","","1.54178","CuKα","","0.0274","0.0271","","","0.0709","0.0711","","","","","","1.058","","","","has coordinates,has disorder","221381","2020-10-21","18:00:00",""
"4128260","7.937","0.002","12.188","0.004","26.58","0.008","90","","90","","90","","2571.2","1.3","110","2","110","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Br F6 Mn N4 O3 P -","- C22 H23 Br F6 Mn N4 O3 P -","- C88 H92 Br4 F24 Mn4 N16 O12 P4 -","4","1","","Sung, Siyoung; Li, Xiaohui; Wolf, Lucienna M.; Meeder, Jeremy R.; Bhuvanesh, Nattamai S.; Grice, Kyle A.; Panetier, Julien A.; Nippe, Michael","Synergistic Effects of Imidazolium-Functionalization on fac-Mn(CO)<sub>3</sub> Bipyridine Catalyst Platforms for Electrocatalytic Carbon Dioxide Reduction.","Journal of the American Chemical Society","2019","141","16","6569","6582","10.1021/jacs.8b13657","","","0.71073","MoKα","","0.0506","0.0377","","","0.0758","0.0804","","","","","","1.021","","","","has coordinates,has disorder","221382","2020-10-21","18:00:00",""
"4128261","20.7339","0.0008","22.5701","0.0009","22.5707","0.0008","61.056","0.002","68.264","0.002","88.742","0.003","8423.6","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C168 H204 N6 O18 -","- C168 H204 N6 O18 -","- C336 H408 N12 O36 -","2","1","","Nakamura, Takashi; Tsukuda, Shinnosuke; Nabeshima, Tatsuya","Double-Circularly Connected Saloph-Belt Macrocycles Generated from a Bis-Armed Bifunctional Monomer.","Journal of the American Chemical Society","2019","141","16","6462","6467","10.1021/jacs.9b00171","","","0.71073","MoKα","","0.2214","0.1384","","","0.3468","0.3769","","","","","","1.961","","","","has coordinates","221383","2020-10-21","18:00:00",""
"4128262","17.213","0.004","18.121","0.004","20.788","0.005","80.167","0.002","71.677","0.002","85.782","0.002","6064","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C294.62 H305.46 N8 Na0.38 O34.62 Zn4 -","- C294.616 H295.848 N8 Na0.384 O34.616 Zn4 -","- C294.616 H295.848 N8 Na0.384 O34.616 Zn4 -","1","0.5","","Nakamura, Takashi; Tsukuda, Shinnosuke; Nabeshima, Tatsuya","Double-Circularly Connected Saloph-Belt Macrocycles Generated from a Bis-Armed Bifunctional Monomer.","Journal of the American Chemical Society","2019","141","16","6462","6467","10.1021/jacs.9b00171","","","0.71073","MoKα","","0.176","0.0941","","","0.2463","0.2883","","","","","","1.668","","","","has coordinates,has disorder","221384","2020-10-21","18:00:00",""
"4128263","12.2686","0.0014","12.0157","0.0013","17.27","0.002","90","","95.498","0.003","90","","2534.2","0.5","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 -","- C37 H24 -","- C148 H96 -","4","1","","Zhou, Zhibiao; Xie, Sheng; Chen, Xian; Tu, Yujie; Xiang, Jiannan; Wang, Jianguo; He, Zikai; Zeng, Zebing; Tang, Ben Zhong","Spiro-Functionalized Diphenylethenes: Suppression of a Reversible Photocyclization Contributes to the Aggregation-Induced Emission Effect.","Journal of the American Chemical Society","2019","141","25","9803","9807","10.1021/jacs.9b04426","","","0.71073","MoKα","","0.0783","0.0459","","","0.1057","0.1188","","","","","","1.033","","","","has coordinates","221385","2020-10-21","18:00:00",""
"4128264","9.9961","0.001","11.5411","0.0011","22.484","0.002","90","","101.4","0.004","90","","2542.7","0.4","302","2","302.09","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 -","- C37 H24 -","- C148 H96 -","4","1","","Zhou, Zhibiao; Xie, Sheng; Chen, Xian; Tu, Yujie; Xiang, Jiannan; Wang, Jianguo; He, Zikai; Zeng, Zebing; Tang, Ben Zhong","Spiro-Functionalized Diphenylethenes: Suppression of a Reversible Photocyclization Contributes to the Aggregation-Induced Emission Effect.","Journal of the American Chemical Society","2019","141","25","9803","9807","10.1021/jacs.9b04426","","","0.71073","MoKα","","0.1173","0.0655","","","0.1411","0.1605","","","","","","1.037","","","","has coordinates","221386","2020-10-21","18:00:00",""
"4128265","12.3418","0.0009","9.6112","0.0007","19.6749","0.0015","90","","106.691","0.001","90","","2235.5","0.3","133","2","133","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 -","- C33 H22 -","- C132 H88 -","4","1","","Zhou, Zhibiao; Xie, Sheng; Chen, Xian; Tu, Yujie; Xiang, Jiannan; Wang, Jianguo; He, Zikai; Zeng, Zebing; Tang, Ben Zhong","Spiro-Functionalized Diphenylethenes: Suppression of a Reversible Photocyclization Contributes to the Aggregation-Induced Emission Effect.","Journal of the American Chemical Society","2019","141","25","9803","9807","10.1021/jacs.9b04426","","","0.71073","MoKα","","0.041","0.0331","","","0.0793","0.0855","","","","","","1.004","","","","has coordinates","221387","2020-10-21","18:00:00",""
"4128266","9.9196","0.0001","21.8678","0.0001","21.5084","0.0001","90","","100.817","0.001","90","","4582.7","0.06","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cl4 N4 O2 Ru -","- C50 H52 Cl4 N4 O2 Ru -","- C200 H208 Cl16 N16 O8 Ru4 -","4","1","","Song, Jung-Ah; Park, Bohyun; Kim, Soohyung; Kang, Cheol; Lee, Dongwhan; Baik, Mu-Hyun; Grubbs, Robert H.; Choi, Tae-Lim","Living Polymerization Caught in the Act: Direct Observation of an Arrested Intermediate in Metathesis Polymerization.","Journal of the American Chemical Society","2019","141","25","10039","10047","10.1021/jacs.9b04019","","x-ray","1.54184","CuKα","","0.0225","0.0223","","","0.0532","0.0533","","","","","","1.061","","","","has coordinates,has disorder","221388","2020-10-21","18:00:00",""
"4128267","13.7156","0.0002","15.0052","0.0002","17.1877","0.0002","85.65","0.001","78.025","0.001","63.955","0.001","3108.47","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H60 Br2 Cl2 N4 O4 Ru -","- C64 H60 Br2 Cl2 N4 O4 Ru -","- C128 H120 Br4 Cl4 N8 O8 Ru2 -","2","1","","Song, Jung-Ah; Park, Bohyun; Kim, Soohyung; Kang, Cheol; Lee, Dongwhan; Baik, Mu-Hyun; Grubbs, Robert H.; Choi, Tae-Lim","Living Polymerization Caught in the Act: Direct Observation of an Arrested Intermediate in Metathesis Polymerization.","Journal of the American Chemical Society","2019","141","25","10039","10047","10.1021/jacs.9b04019","","x-ray","1.54184","CuKα","","0.0439","0.0422","","","0.1155","0.1169","","","","","","1.065","","","","has coordinates","221389","2020-10-21","18:00:00",""
"4128268","20.364","0.0009","8.4235","0.0002","18.8888","0.0009","90","","123.796","0.007","90","","2692.6","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H44 Br4 N2 Pb -","- C20 H44 Br4 N2 Pb -","- C80 H176 Br16 N8 Pb4 -","4","0.5","","Morad, Viktoriia; Shynkarenko, Yevhen; Yakunin, Sergii; Brumberg, Alexandra; Schaller, Richard D.; Kovalenko, Maksym V.","Disphenoidal Zero-Dimensional Lead, Tin, and Germanium Halides: Highly Emissive Singlet and Triplet Self-Trapped Excitons and X-ray Scintillation.","Journal of the American Chemical Society","2019","141","25","9764","9768","10.1021/jacs.9b02365","","x-ray","0.71073","MoKα","","0.0229","0.0213","","","0.0501","0.0508","","","","","","1.079","","","","has coordinates","221390","2020-10-21","18:00:00",""
"4128269","20.0807","0.0007","8.4248","0.0001","18.3778","0.0005","90","","121.862","0.004","90","","2640.61","0.17","122","3","122","3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-butyl-1-methylpiperidinium tetrabromogermanate(II)","","- C20 H44 Br4 Ge N2 -","- C20 H44 Br4 Ge N2 -","- C80 H176 Br16 Ge4 N8 -","4","0.5","","Morad, Viktoriia; Shynkarenko, Yevhen; Yakunin, Sergii; Brumberg, Alexandra; Schaller, Richard D.; Kovalenko, Maksym V.","Disphenoidal Zero-Dimensional Lead, Tin, and Germanium Halides: Highly Emissive Singlet and Triplet Self-Trapped Excitons and X-ray Scintillation.","Journal of the American Chemical Society","2019","141","25","9764","9768","10.1021/jacs.9b02365","","x-ray","0.71073","MoKα","","0.0471","0.0342","","","0.06","0.0638","","","","","","1.117","","","","has coordinates","221391","2020-10-21","18:00:00",""
"4128270","20.122","0.003","8.4218","0.0006","18.801","0.002","90","","123.374","0.017","90","","2660.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H44 Br4 N2 Sn -","- C20 H44 Br4 N2 Sn -","- C80 H176 Br16 N8 Sn4 -","4","0.5","","Morad, Viktoriia; Shynkarenko, Yevhen; Yakunin, Sergii; Brumberg, Alexandra; Schaller, Richard D.; Kovalenko, Maksym V.","Disphenoidal Zero-Dimensional Lead, Tin, and Germanium Halides: Highly Emissive Singlet and Triplet Self-Trapped Excitons and X-ray Scintillation.","Journal of the American Chemical Society","2019","141","25","9764","9768","10.1021/jacs.9b02365","","x-ray","0.71073","MoKα","","0.0396","0.0339","","","0.0739","0.0758","","","","","","1.132","","","","has coordinates","221392","2020-10-21","18:00:00",""
"4128271","9.7647","0.0018","10.1799","0.0019","18.091","0.003","90","","90","","90","","1798.3","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O S -","- C19 H28 O S -","- C76 H112 O4 S4 -","4","1","","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","x-ray","0.71073","MoKα","","0.109","0.0916","","","0.2462","0.2727","","","","","","1.084","","","","has coordinates","221393","2020-10-21","18:00:00",""
"4128272","25.4036","0.0013","8.6525","0.0004","9.0953","0.0004","90","","90","","90","","1999.19","0.16","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C96 H112 O16 -","8","1","","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","x-ray","0.71073","MoKα","","0.0541","0.0437","","","0.1035","0.1098","","","","","","1.032","","","","has coordinates","221394","2020-10-21","18:00:00",""
"4128273","7.3457","0.0003","13.3767","0.0005","7.3693","0.0003","90","","108.584","0.002","90","","686.36","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-Hydroxyindan-1-one","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","SI2340","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","","0.71073","MoKα","","0.0373","0.033","","","0.086","0.0893","","","","","","1.036","","","","has coordinates","221395","2020-10-21","18:00:00",""
"4128274","7.705","0.004","8.751","0.005","13.141","0.007","88.382","0.019","84.595","0.018","64.17","0.016","793.9","0.8","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 O S -","- C9 H8 O S -","- C36 H32 O4 S4 -","4","2","","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","x-ray","0.71073","MoKα","","0.0789","0.0599","","","0.1413","0.1545","","","","","","1.04","","","","has coordinates","221396","2020-10-21","18:00:00",""
"4128275","8.5386","0.0007","10.4949","0.0009","18.8536","0.0016","90","","90","","90","","1689.5","0.2","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 O2 -","- C10 H10 O2 -","- C80 H80 O16 -","8","1","","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","x-ray","0.71073","MoKα","","0.0482","0.0367","","","0.1044","0.1157","","","","","","1.022","","","","has coordinates","221397","2020-10-21","18:00:00",""
"4128276","8.7849","0.0011","5.4108","0.0008","14.8752","0.0019","90","","98.627","0.007","90","","699.07","0.16","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 F5 N O -","- C14 H16 F5 N O -","- C28 H32 F10 N2 O2 -","2","1","","Zhang, Juner; Huang, Xiongyi; Zhang, Ruijie K.; Arnold, Frances H.","Enantiodivergent α-Amino C-H Fluoroalkylation Catalyzed by Engineered Cytochrome P450s.","Journal of the American Chemical Society","2019","141","25","9798","9802","10.1021/jacs.9b04344","","","1.54178","CuKα","","0.0279","0.0276","","","0.0694","0.0696","","","","","","1.046","","","","has coordinates","221398","2020-10-21","18:00:00",""
"4128277","8.3312","0.0011","17.574","0.002","8.379","0.0011","90","","116.975","0.005","90","","1093.3","0.2","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 F3 N -","- C12 H14 F3 N -","- C48 H56 F12 N4 -","4","2","","Zhang, Juner; Huang, Xiongyi; Zhang, Ruijie K.; Arnold, Frances H.","Enantiodivergent α-Amino C-H Fluoroalkylation Catalyzed by Engineered Cytochrome P450s.","Journal of the American Chemical Society","2019","141","25","9798","9802","10.1021/jacs.9b04344","","","1.54178","CuKα","","0.0279","0.0279","","","0.0705","0.0705","","","","","","1.045","","","","has coordinates","221399","2020-10-21","18:00:00",""
"4128278","12.94476","0.00013","20.0897","0.0002","26.0868","0.0003","91.2399","0.001","94.7326","0.0009","91.1183","0.0009","6757.78","0.12","100","0.13","100","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C48 H108 K O16 Si4 Tb -","- C48 H108 K O16 Si4 Tb -","- C192 H432 K4 O64 Si16 Tb4 -","4","2","","Palumbo, Chad T.; Zivkovic, Ivica; Scopelliti, Rosario; Mazzanti, Marinella","Molecular Complex of Tb in the +4 Oxidation State.","Journal of the American Chemical Society","2019","141","25","9827","9831","10.1021/jacs.9b05337","","x-ray","1.54184","CuKα","","0.059","0.0538","","","0.1408","0.1463","","","","","","1.067","","","","has coordinates","221400","2020-10-21","18:00:00",""
"4128279","24.0696","0.0005","13.4628","0.0002","40.7459","0.0008","90","","96.4478","0.0017","90","","13120","0.4","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H108 O16 Si4 Tb -","- C48 H108 O16 Si4 Tb -","- C384 H864 O128 Si32 Tb8 -","8","1","","Palumbo, Chad T.; Zivkovic, Ivica; Scopelliti, Rosario; Mazzanti, Marinella","Molecular Complex of Tb in the +4 Oxidation State.","Journal of the American Chemical Society","2019","141","25","9827","9831","10.1021/jacs.9b05337","","x-ray","1.54184","CuKα","","0.0595","0.0518","","","0.1218","0.1266","","","","","","1.058","","","","has coordinates,has disorder","221401","2020-10-21","18:00:00",""
"4128280","17.9751","0.0003","15.1881","0.0003","9.872","0.0002","90","","97.535","0.001","90","","2671.86","0.09","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N2 -","- C32 H42 N2 -","- C128 H168 N8 -","4","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0473","0.043","","","0.1088","0.1112","","","","","","1.089","","","","has coordinates","221402","2020-10-21","18:00:00",""
"4128281","10.4959","0.0003","14.0915","0.0004","18.7602","0.0006","90","","102.806","0.001","90","","2705.67","0.14","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 N P -","- C32 H42 N P -","- C128 H168 N4 P4 -","4","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0405","0.0389","","","0.1007","0.1024","","","","","","1.054","","","","has coordinates","221403","2020-10-21","18:00:00",""
"4128282","9.595","0.005","18.456","0.009","13.848","0.006","90","","101.346","0.008","90","","2404","2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H43 N O2 -","- C28 H43 N O2 -","- C112 H172 N4 O8 -","4","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0903","0.0553","","","0.1172","0.1323","","","","","","1.049","","","","has coordinates","221404","2020-10-21","18:00:00",""
"4128283","9.3291","0.0003","18.9635","0.0005","23.1474","0.0006","90","","90","","90","","4095.1","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C51 H65 N3 -","- C51 H65 N3 -","- C204 H260 N12 -","4","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0649","0.0481","","","0.1146","0.1233","","","","","","1.014","","","","has coordinates","221405","2020-10-21","18:00:00",""
"4128284","9.6679","0.0004","18.7513","0.0007","13.8244","0.0005","90","","102.399","0.002","90","","2447.71","0.16","100.15","","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H43 N S -","- C27 H43 N S -","- C108 H172 N4 S4 -","4","2","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0371","0.035","","","0.0859","0.0871","","","","","","1.041","","","","has coordinates,has disorder","221406","2020-10-21","18:00:00",""
"4128285","18.3658","0.0004","18.8888","0.0004","19.5947","0.0005","90","","90","","90","","6797.6","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H54 N P -","- C39 H54 N P -","- C312 H432 N8 P8 -","8","2","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0546","0.0459","","","0.1133","0.1188","","","","","","0.998","","","","has coordinates","221407","2020-10-21","18:00:00",""
"4128286","9.4457","0.0008","9.7034","0.001","18.412","0.002","79.515","0.005","87.442","0.005","85.632","0.005","1653.7","0.3","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C73 H120 N4 -","- C73 H120 N4 -","- C73 H120 N4 -","1","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","0.71073","MoKα","","0.0638","0.0461","","","0.1038","0.114","","","","","","1.022","","","","has coordinates,has disorder","221408","2020-10-21","18:00:00",""
"4128287","10.6372","0.0007","16.6939","0.0012","16.7043","0.0013","90","","91.822","0.003","90","","2964.8","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H48 N2 O -","- C34 H48 N2 O -","- C136 H192 N8 O4 -","4","2","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","0.71073","MoKα","","0.0925","0.0605","","","0.1236","0.1369","","","","","","1.041","","","","has coordinates,has disorder","221409","2020-10-21","18:00:00",""
"4128288","12.887","0.014","6.012","0.006","18.99","0.02","90","","94.389","0.016","90","","1467","3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N -","- C19 H21 N -","- C76 H84 N4 -","4","1","","Asako, Sobi; Ishihara, Seina; Hirata, Keiya; Takai, Kazuhiko","Deoxygenative Insertion of Carbonyl Carbon into a C(sp<sup>3</sup>)-H Bond: Synthesis of Indolines and Indoles.","Journal of the American Chemical Society","2019","141","25","9832","9836","10.1021/jacs.9b05428","","","0.71075","MoKα","","0.1429","0.1274","","","0.1963","0.2026","","","","","","1.396","","","","has coordinates","221410","2020-10-21","18:00:00",""
"4128289","11.944","0.0001","13.0469","0.0002","21.0494","0.0002","72.339","0.001","80.743","0.001","74.699","0.001","3003.11","0.06","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C64 H96 Br0.69 Cl0.31 Fe Mg O8 -","- C64 H96 Br0.691 Cl0.309 Fe Mg O8 -","- C128 H192 Br1.382 Cl0.618 Fe2 Mg2 O16 -","2","1","","Neate, Peter G. N.; Greenhalgh, Mark D.; Brennessel, William W.; Thomas, Stephen P.; Neidig, Michael L.","Mechanism of the Bis(imino)pyridine-Iron-Catalyzed Hydromagnesiation of Styrene Derivatives.","Journal of the American Chemical Society","2019","141","25","10099","10108","10.1021/jacs.9b04869","","x-ray","1.54184","CuKα","","0.0635","0.0564","","","0.1597","0.1662","","","","","","1.079","","","","has coordinates,has disorder","221411","2020-10-21","18:00:00",""
"4128290","11.4045","0.0018","22.533","0.004","26.176","0.004","90","","99.122","0.003","90","","6641.6","1.9","100","0.5","100","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","neipn01","","","- C67 H112 Br0.67 Cl0.33 Fe Mg N3 O7.5 -","- C67 H112 Br0.6709 Cl0.3291 Fe Mg N3 O7.5 -","- C268 H448 Br2.6836 Cl1.3164 Fe4 Mg4 N12 O30 -","4","1","","Neate, Peter G. N.; Greenhalgh, Mark D.; Brennessel, William W.; Thomas, Stephen P.; Neidig, Michael L.","Mechanism of the Bis(imino)pyridine-Iron-Catalyzed Hydromagnesiation of Styrene Derivatives.","Journal of the American Chemical Society","2019","141","25","10099","10108","10.1021/jacs.9b04869","","","0.71073","MoKα","","0.0884","0.0502","","","0.1084","0.1224","","","","","","1.021","","","","has coordinates,has disorder","221412","2020-10-21","18:00:00",""
"4128291","22.6754","0.0005","12.315","0.0007","24.0776","0.0007","90","","90","","90","","6723.6","0.5","99.99","0.1","99.99","0.1","","","","","","","","8","P c a 21","P 2c -2ac","29","neipn21","","","- C61 H92 Br0.6 Cl0.4 Fe Mg N5 O5 -","- C61 H92 Br0.598 Cl0.402 Fe Mg N5 O5 -","- C244 H368 Br2.392 Cl1.608 Fe4 Mg4 N20 O20 -","4","1","","Neate, Peter G. N.; Greenhalgh, Mark D.; Brennessel, William W.; Thomas, Stephen P.; Neidig, Michael L.","Mechanism of the Bis(imino)pyridine-Iron-Catalyzed Hydromagnesiation of Styrene Derivatives.","Journal of the American Chemical Society","2019","141","25","10099","10108","10.1021/jacs.9b04869","","x-ray","1.54184","CuKα","","0.1008","0.0753","","","0.2054","0.2282","","","","","","1.052","","","","has coordinates,has disorder","221413","2020-10-21","18:00:00",""
"4128292","13.151","0.002","13.717","0.003","13.813","0.003","69.601","0.008","62.568","0.007","82.672","0.01","2071.3","0.7","221","2","221.64","","","","","","","","","3","P -1","-P 1","2","SI-4","","","- C41 H38 O9 -","- C41 H38 O9 -","- C82 H76 O18 -","2","1","","Timmerman, Jacob C.; Sims, Noah J.; Wood, John L.","Total Synthesis of Caesalpinnone A and Caesalpinflavan B: Evolution of a Concise Strategy.","Journal of the American Chemical Society","2019","141","25","10082","10090","10.1021/jacs.9b04472","","","0.71073","MoKα","","0.1848","0.1648","","","0.4607","0.4883","","","","","","2.0909","","","","has coordinates","221414","2020-10-21","18:00:00",""
"4128293","11.2663","0.0005","12.5159","0.0004","12.5665","0.0006","96.867","0.0012","105.428","0.0011","104.245","0.0015","1622.81","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H38 O7 -","- C41 H38 O7 -","- C82 H76 O14 -","2","1","","Timmerman, Jacob C.; Sims, Noah J.; Wood, John L.","Total Synthesis of Caesalpinnone A and Caesalpinflavan B: Evolution of a Concise Strategy.","Journal of the American Chemical Society","2019","141","25","10082","10090","10.1021/jacs.9b04472","","","0.71073","MoKα","","0.0478","0.0372","","","0.0862","0.0919","","","","","","1.023","","","","has coordinates","221415","2020-10-21","18:00:00",""
"4128294","7.0423","0.0004","10.4389","0.0006","12.1272","0.0007","76.1046","0.0019","88.391","0.002","77.957","0.002","846.15","0.08","109","2","109","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N4 O -","- C21 H18 N4 O -","- C42 H36 N8 O2 -","2","1","","Xing, Pengyao; Li, Yongxin; Xue, Shixin; Fiona Phua, Soo Zeng; Ding, Chendi; Chen, Hongzhong; Zhao, Yanli","Occurrence of Chiral Nanostructures Induced by Multiple Hydrogen Bonds.","Journal of the American Chemical Society","2019","141","25","9946","9954","10.1021/jacs.9b03502","","","0.71073","MoKα","","0.111","0.0588","","","0.1164","0.1429","","","","","","1.026","","","","has coordinates","221416","2020-10-21","18:00:00",""
"4128295","11.7863","0.0014","24.768","0.003","28.259","0.003","112.963","0.003","96.27","0.003","103.206","0.003","7211.6","1.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 N6 -","- C21 H18 N6 -","- C336 H288 N96 -","16","8","","Xing, Pengyao; Li, Yongxin; Xue, Shixin; Fiona Phua, Soo Zeng; Ding, Chendi; Chen, Hongzhong; Zhao, Yanli","Occurrence of Chiral Nanostructures Induced by Multiple Hydrogen Bonds.","Journal of the American Chemical Society","2019","141","25","9946","9954","10.1021/jacs.9b03502","","","0.71073","MoKα","","0.3552","0.1506","","","0.3029","0.3853","","","","","","1.329","","","","has coordinates","221417","2020-10-21","18:00:00",""
"4128296","4.8537","0.0009","7.4768","0.0015","50.879","0.011","90","","90","","90","","1846.4","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O5 -","- C23 H23 N O5 -","- C92 H92 N4 O20 -","4","1","","Xing, Pengyao; Li, Yongxin; Xue, Shixin; Fiona Phua, Soo Zeng; Ding, Chendi; Chen, Hongzhong; Zhao, Yanli","Occurrence of Chiral Nanostructures Induced by Multiple Hydrogen Bonds.","Journal of the American Chemical Society","2019","141","25","9946","9954","10.1021/jacs.9b03502","","","0.71073","MoKα","","0.1775","0.0947","","","0.2033","0.2466","","","","","","1.061","","","","has coordinates","221418","2020-10-21","18:00:00",""
"4128297","4.766","0.002","9.398","0.005","12.71","0.006","104.348","0.008","97.123","0.008","91.867","0.008","546.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Kavita110216b","","","- C20 H16 F6 N2 O7 -","- C20 H16 F6 N2 O7 -","- C20 H16 F6 N2 O7 -","1","0.5","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.1144","0.0764","","","0.2042","0.2222","","","","","","1.136","","","","has coordinates,has disorder","221419","2020-10-21","18:00:00",""
"4128298","7.9032","0.0008","8.8144","0.001","14.88","0.0016","93.28","0.002","95.688","0.002","90.365","0.002","1029.7","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12 F6 N2 O3 -","- C24 H12 F6 N2 O3 -","- C48 H24 F12 N4 O6 -","2","1","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.0631","0.0458","","","0.1186","0.1291","","","","","","1.04","","","","has coordinates","221420","2020-10-21","18:00:00",""
"4128299","16.3899","0.0014","8.4422","0.0008","21.6823","0.0019","90","","90","","90","","3000.1","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H8 F6 N2 O3 -","- C16 H8 F6 N2 O3 -","- C128 H64 F48 N16 O24 -","8","1","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.0469","0.0351","","","0.089","0.0961","","","","","","1.037","","","","has coordinates","221421","2020-10-21","18:00:00",""
"4128300","9.414","0.003","9.426","0.003","11.441","0.004","112.364","0.004","98.218","0.004","101.891","0.004","890.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Kavita062518","","","- C12 H17 Br F3 N O5 S2 -","- C12 H17 Br F3 N O5 S2 -","- C24 H34 Br2 F6 N2 O10 S4 -","2","1","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.0278","0.0227","","","0.0519","0.0542","","","","","","1.063","","","","has coordinates,has disorder","221423","2020-10-21","18:00:00",""
"4128301","6.4041","0.0011","16.548","0.003","8.082","0.0014","90","","105.719","0.002","90","","824.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 F3 N O3 -","- C8 H4 F3 N O3 -","- C32 H16 F12 N4 O12 -","4","1","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.0472","0.0375","","","0.0967","0.1035","","","","","","1.03","","","","has coordinates","221424","2020-10-21","18:00:00",""
"4128302","13.2836","0.0019","9.513","0.0013","17.387","0.003","90","","90.057","0.004","90","","2197.1","0.6","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30.75 N2 O8.38 -","- C22 H30.75 N2 O8.375 -","- C88 H123 N8 O33.5 -","4","2","","Thesmar, Pierre; Baudoin, Olivier","Efficient and Divergent Total Synthesis of (-)-Epicoccin G and (-)-Rostratin A Enabled by Double C(sp<sup>3</sup>)-H Activation.","Journal of the American Chemical Society","2019","141","40","15779","15783","10.1021/jacs.9b09359","","x-ray","1.54178","CuKα","","0.0272","0.0272","","","0.0724","0.0724","","","","","","1.044","","","","has coordinates","221425","2020-10-21","18:00:00",""
"4128303","9.883","0.0004","9.883","0.0004","36.809","0.002","90","","90","","120","","3113.6","0.2","123","","123","","","","","","","","Pierre Thesmar","4","P 32 2 1","P 32 2""","154","","","","- C22 H27 N2 O8.5 -","- C22 H27 N2 O8.5 -","- C132 H162 N12 O51 -","6","1","","Thesmar, Pierre; Baudoin, Olivier","Efficient and Divergent Total Synthesis of (-)-Epicoccin G and (-)-Rostratin A Enabled by Double C(sp<sup>3</sup>)-H Activation.","Journal of the American Chemical Society","2019","141","40","15779","15783","10.1021/jacs.9b09359","","","1.54178","CuKα","","0.0335","0.0327","","0.0854","0.0845","0.0842","","","","","","0.9809","","","","has coordinates","221426","2020-10-21","18:00:00",""
"4128304","9.48","0.0006","9.5062","0.0006","13.0768","0.0008","79.7133","0.0018","87.5882","0.0017","60.4663","0.0016","1007.41","0.11","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C44 H52 N4 O12 -","2","2","","Thesmar, Pierre; Baudoin, Olivier","Efficient and Divergent Total Synthesis of (-)-Epicoccin G and (-)-Rostratin A Enabled by Double C(sp<sup>3</sup>)-H Activation.","Journal of the American Chemical Society","2019","141","40","15779","15783","10.1021/jacs.9b09359","","","1.54178","CuKα","","0.0288","0.0288","","0.0318","0.0318","0.0317","","","","","","1.1119","","","","has coordinates","221427","2020-10-21","18:00:00",""
"4128305","7.8236","0.0002","14.7618","0.0004","24.4735","0.0007","90","","90","","90","","2826.45","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 Cl4 N Ru -","- C30 H31 Cl4 N Ru -","- C120 H124 Cl16 N4 Ru4 -","4","1","","Li, Zhong-Yuan; Lakmal, Hetti Handi Chaminda; Qian, Xiaolin; Zhu, Zhenyu; Donnadieu, Bruno; McClain, Sarah J.; Xu, Xue; Cui, Xin","Ruthenium-Catalyzed Enantioselective C-H Functionalization: A Practical Access to Optically Active Indoline Derivatives.","Journal of the American Chemical Society","2019","141","40","15730","15736","10.1021/jacs.9b07251","","","1.54178","CuKα","","0.0374","0.0309","","","0.0607","0.0625","","","","","","1.019","","","","has coordinates","221428","2020-10-21","18:00:00",""
"4128306","5.5476","0.0003","8.4528","0.0005","21.0022","0.0013","90","","97.001","0.004","90","","977.51","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C46 H42 N2 O6 S2 -","2","1","","Li, Zhong-Yuan; Lakmal, Hetti Handi Chaminda; Qian, Xiaolin; Zhu, Zhenyu; Donnadieu, Bruno; McClain, Sarah J.; Xu, Xue; Cui, Xin","Ruthenium-Catalyzed Enantioselective C-H Functionalization: A Practical Access to Optically Active Indoline Derivatives.","Journal of the American Chemical Society","2019","141","40","15730","15736","10.1021/jacs.9b07251","","","1.54178","CuKα","","0.0689","0.0428","","","0.0802","0.0902","","","","","","1.025","","","","has coordinates","221429","2020-10-21","18:00:00",""
"4128307","14.6401","0.0003","17.2051","0.0004","17.93","0.0004","115.267","0.0013","96.9948","0.0016","103.786","0.0018","3836","0.17","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C79.5 H54 B Cl F24 O P2 Pd -","- C79.5 H54 B Cl F24 O P2 Pd -","- C159 H108 B2 Cl2 F48 O2 P4 Pd2 -","2","1","","Wierschen, Andreas L.; Romano, Neyen; Lee, Stephen J.; Gagné, Michel R","Silylpalladium Cations Enable the Oxidative Addition of C(sp<sup>3</sup>)-O Bonds.","Journal of the American Chemical Society","2019","141","40","16024","16032","10.1021/jacs.9b08178","","","1.5418","CuKα","","0.0751","0.0658","","0.1781","0.1709","0.1781","","","","","","1.0248","","","","has coordinates,has disorder","221430","2020-10-21","18:00:00",""
"4128308","7.0841","0.0001","7.0841","0.0001","41.0624","0.001","90","","90","","90","","2060.69","0.06","120","2","120","2","","","","","","","","4","P 43","P 4cw","78","","","","- C24 H25 N O7 -","- C24 H25 N O7 -","- C96 H100 N4 O28 -","4","1","","Trost, Barry M.; Hung, Chao-I Joey; Jiao, Zhiwei","Enantioselective Divergent Syntheses of (+)-Bulleyanaline and Related Isoquinoline Alkaloids from the Genus <i>Corydalis</i>.","Journal of the American Chemical Society","2019","141","40","16085","16092","10.1021/jacs.9b08441","","","1.54178","CuKα","","0.0248","0.0247","","","0.0664","0.0666","","","","","","1.055","","","","has coordinates","221431","2020-10-21","18:00:00",""
"4128309","6.1967","0.0002","22.128","0.0008","14.697","0.0006","90","","94.665","0.002","90","","2008.59","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 B N O2 -","- C23 H26 B N O2 -","- C92 H104 B4 N4 O8 -","4","1","","Vidal, Fernando; Gomezcoello, John; Lalancette, Roger A.; Jäkle, Frieder","Lewis Pairs as Highly Tunable Dynamic Cross-Links in Transient Polymer Networks.","Journal of the American Chemical Society","2019","141","40","15963","15971","10.1021/jacs.9b07452","","","1.54178","CuKα","","0.045","0.0408","","","0.1022","0.1057","","","","","","1.033","","","","has coordinates","221432","2020-10-21","18:00:00",""
"4128310","11.9238","0.0005","13.673","0.0007","12.7983","0.0006","90","","112.838","0.003","90","","1922.99","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 B N2 O2 -","- C21 H25 B N2 O2 -","- C84 H100 B4 N8 O8 -","4","2","","Vidal, Fernando; Gomezcoello, John; Lalancette, Roger A.; Jäkle, Frieder","Lewis Pairs as Highly Tunable Dynamic Cross-Links in Transient Polymer Networks.","Journal of the American Chemical Society","2019","141","40","15963","15971","10.1021/jacs.9b07452","","","1.54178","CuKα","","0.0592","0.0443","","","0.0805","0.0845","","","","","","1.377","","","","has coordinates","221433","2020-10-21","18:00:00",""
"4128311","14.226","0.003","14.478","0.003","15.346","0.003","117.356","0.003","99.68","0.004","104.803","0.004","2559.6","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 Cl2 Co N4 O12 -","- C32 H23 Cl2 Co N4 O12 -","- C64 H46 Cl4 Co2 N8 O24 -","2","1","","Roy, Souvik; Huang, Zhehao; Bhunia, Asamanjoy; Castner, Ashleigh; Gupta, Arvind K.; Zou, Xiaodong; Ott, Sascha","Electrocatalytic Hydrogen Evolution from a Cobaloxime-Based Metal-Organic Framework Thin Film.","Journal of the American Chemical Society","2019","141","40","15942","15950","10.1021/jacs.9b07084","","","0.71073","MoKα","","0.1592","0.0816","","","0.2218","0.2502","","","","","","0.922","","","","has coordinates","221434","2020-10-21","18:00:00",""
"4128312","9.1839","0.0004","10.4178","0.0005","19.8431","0.0008","90","","99.184","0.001","90","","1874.17","0.14","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","2","","Min, Long; Lin, Xiaohong; Li, Chuang-Chuang","Asymmetric Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","40","15773","15778","10.1021/jacs.9b08983","","x-ray","1.54178","CuKα","","0.0721","0.0602","","","0.1442","0.1538","","","","","","1.055","","","","has coordinates","221435","2020-10-21","18:00:00",""
"4128313","9.1575","0.0004","9.248","0.0004","19.2789","0.0008","90","","90","","90","","1632.7","0.12","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Min, Long; Lin, Xiaohong; Li, Chuang-Chuang","Asymmetric Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","40","15773","15778","10.1021/jacs.9b08983","","x-ray","1.54178","CuKα","","0.0302","0.0298","","","0.0737","0.0741","","","","","","1.139","","","","has coordinates","221436","2020-10-21","18:00:00",""
"4128314","10.5315","0.0002","12.5444","0.0003","12.5572","0.0003","90","","89.99","","90","","1658.95","0.06","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","j095","","","- C12 H32 I8 N4 Pb2 -","- C12 H32 I8 N4 Pb2 -","- C24 H64 I16 N8 Pb4 -","2","1","","Park, In-Hyeok; Zhang, Qiannan; Kwon, Ki Chang; Zhu, Ziyu; Yu, Wei; Leng, Kai; Giovanni, David; Choi, Hwa Seob; Abdelwahab, Ibrahim; Xu, Qing-Hua; Sum, Tze Chien; Loh, Kian Ping","Ferroelectricity and Rashba Effect in a Two-Dimensional Dion-Jacobson Hybrid Organic-Inorganic Perovskite.","Journal of the American Chemical Society","2019","141","40","15972","15976","10.1021/jacs.9b07776","","","0.71073","MoKα","","0.0983","0.0956","","","0.2236","0.2254","","","","","","1.005","","","","has coordinates","221437","2020-10-21","18:00:00",""
"4128315","10.6173","0.0014","12.54","0.0018","12.53","0.002","90","","89.983","0.006","90","","1668.3","0.4","373","2","373","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DJ_373K","","","- C6 H16 I4 N2 Pb -","- C6 H16 I4 N2 Pb -","- C24 H64 I16 N8 Pb4 -","4","1","","Park, In-Hyeok; Zhang, Qiannan; Kwon, Ki Chang; Zhu, Ziyu; Yu, Wei; Leng, Kai; Giovanni, David; Choi, Hwa Seob; Abdelwahab, Ibrahim; Xu, Qing-Hua; Sum, Tze Chien; Loh, Kian Ping","Ferroelectricity and Rashba Effect in a Two-Dimensional Dion-Jacobson Hybrid Organic-Inorganic Perovskite.","Journal of the American Chemical Society","2019","141","40","15972","15976","10.1021/jacs.9b07776","","","0.71073","MoKα","","0.1327","0.1234","","","0.3313","0.3423","","","","","","1.024","","","","has coordinates","221438","2020-10-21","18:00:00",""
"4128316","8.5379","0.0003","11.6565","0.0003","14.3665","0.0005","76.954","0.002","78.816","0.003","83.43","0.002","1362.69","0.08","93","","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 N2 O5 Zn -","- C30.191 H27.307 N1.937 O5 Zn -","- C60.382 H54.614 N3.874 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.072","0.0621","","","0.1621","0.1688","","","","","","1.044","","","","has coordinates,has disorder","221439","2020-10-21","18:00:00",""
"4128317","9.8343","0.0003","20.384","0.0006","19.3857","0.0006","90","","96.479","0.003","90","","3861.3","0.2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 N4 O7 Zn -","- C42 H46 N4 O7 Zn -","- C168 H184 N16 O28 Zn4 -","4","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.0554","0.0421","","","0.1454","0.1538","","","","","","1.144","","","","has coordinates","221440","2020-10-21","18:00:00",""
"4128318","9.803","0.0006","9.8836","0.0006","11.8009","0.0008","88.301","0.005","86.59","0.005","80.201","0.005","1124.48","0.12","93","","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27.41 H19.41 N O4 Zn -","- C27 H19 N O4 Zn -","- C54 H38 N2 O8 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.1089","0.0784","","","0.204","0.2269","","","","","","1.045","","","","has coordinates,has disorder","221441","2020-10-21","18:00:00",""
"4128319","15.0725","0.0004","15.7354","0.0005","20.5142","0.0006","78.984","0.002","88.169","0.002","80.392","0.002","4708.7","0.2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N O4 Zn -","- C27 H19 N O4 Zn -","- C216 H152 N8 O32 Zn8 -","8","4","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.1317","0.1067","","","0.25","0.2606","","","","","","1.102","","","","has coordinates","221442","2020-10-21","18:00:00",""
"4128320","9.0865","0.0006","11.1662","0.0006","13.4069","0.0009","77.455","0.005","83.372","0.005","83.133","0.005","1312.66","0.15","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O5 Zn -","- C30 H26 N2 O5 Zn -","- C60 H52 N4 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.0952","0.068","","","0.1768","0.2093","","","","","","0.934","","","","has coordinates","221443","2020-10-21","18:00:00",""
"4128321","8.4884","0.0002","11.785","0.0003","14.7536","0.0003","76.227","0.002","76.572","0.002","83.831","0.002","1392.14","0.06","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 N2 O5 Zn -","- C31 H28 N2 O5 Zn -","- C62 H56 N4 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.0505","0.0408","","","0.1085","0.1128","","","","","","1.068","","","","has coordinates,has disorder","221444","2020-10-21","18:00:00",""
"4128322","8.8203","0.0004","11.0081","0.0006","14.1769","0.0006","78.272","0.004","79.655","0.004","80.661","0.004","1314.51","0.11","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N2 O5 Zn -","- C29.985 H25.639 N2 O5 Zn -","- C59.97 H51.278 N4 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.0721","0.057","","","0.1272","0.1334","","","","","","1.043","","","","has coordinates,has disorder","221445","2020-10-21","18:00:00",""
"4128323","9.038","0.0004","12.0885","0.0005","14.9988","0.0007","67.39","0.004","72.49","0.004","89.005","0.004","1433.64","0.13","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N2 O5 Zn -","- C32 H30 N2 O5 Zn -","- C64 H60 N4 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.0983","0.0796","","","0.217","0.2317","","","","","","1.155","","","","has coordinates","221446","2020-10-21","18:00:00",""
"4128324","8.5536","0.0007","12.1855","0.0011","15.0843","0.0013","67.442","0.008","74.816","0.007","87.306","0.007","1398.7","0.2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 O5 Zn -","- C31.266 H29.88 N2 O5 Zn -","- C62.532 H59.76 N4 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.1066","0.0856","","","0.2426","0.2587","","","","","","1.031","","","","has coordinates,has disorder","221447","2020-10-21","18:00:00",""
"4128325","9.5199","0.0002","35.864","0.0007","27.0516","0.0005","90","","90.65","0.002","90","","9235.4","0.3","170","0.1","170","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H48 Br4 K2 Mn O12 -","- C40 H48 Br4 K2 Mn O12 -","- C320 H384 Br32 K16 Mn8 O96 -","8","2","","Zhao, Jian; Zhang, Tongjin; Dong, Xi-Yan; Sun, Meng-En; Zhang, Chong; Li, Xinlei; Zhao, Yong Sheng; Zang, Shuang-Quan","Circularly Polarized Luminescence from Achiral Single Crystals of Hybrid Manganese Halides.","Journal of the American Chemical Society","2019","141","40","15755","15760","10.1021/jacs.9b08780","","x-ray","1.54184","CuKα","","0.0715","0.0626","","","0.1756","0.18","","","","","","1.077","","","","has coordinates","221448","2020-10-21","18:00:00",""
"4128326","9.418","0.0001","35.5659","0.0003","26.6416","0.0002","90","","91.008","0.001","90","","8922.48","0.14","170","0.1","170","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H48 Cl4 K2 Mn O12 -","- C40 H48 Cl4 K2 Mn O12 -","- C320 H384 Cl32 K16 Mn8 O96 -","8","2","","Zhao, Jian; Zhang, Tongjin; Dong, Xi-Yan; Sun, Meng-En; Zhang, Chong; Li, Xinlei; Zhao, Yong Sheng; Zang, Shuang-Quan","Circularly Polarized Luminescence from Achiral Single Crystals of Hybrid Manganese Halides.","Journal of the American Chemical Society","2019","141","40","15755","15760","10.1021/jacs.9b08780","","x-ray","1.54184","CuKα","","0.0338","0.0299","","","0.0735","0.0747","","","","","","1.005","","","","has coordinates","221449","2020-10-21","18:00:00",""
"4128327","17.464","0.003","20.626","0.004","35.907","0.007","90","","95.69","0.003","90","","12870","4","93","2","93","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C229 H96 Au24 Cl2 F108 P2 Pt -","- C229 H96 Au24 Cl2 F108 P2 Pt -","- C458 H192 Au48 Cl4 F216 P4 Pt2 -","2","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.0699","0.0627","","","0.1612","0.1668","","","","","","1.122","","","","has coordinates,has disorder","221450","2020-10-21","18:00:00",""
"4128328","16.883","0.003","16.927","0.003","17.005","0.003","103.829","0.001","112.014","0.001","107.241","0.001","3952.2","1.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H198 Au24 Pt S18 Si18 -","- C72 H198 Au24 Pt S18 Si18 -","- C72 H198 Au24 Pt S18 Si18 -","1","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.044","0.0355","","","0.0604","0.0638","","","","","","0.971","","","","has coordinates,has disorder","221451","2020-10-21","18:00:00",""
"4128329","19.5656","0.0003","26.9697","0.0003","29.4945","0.0004","92.24","0.001","108.448","0.001","96.785","0.001","14612","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C112.5 H199 Au23 Pd S17 -","- C112.5 H199 Au23 Pd S17 -","- C450 H796 Au92 Pd4 S68 -","4","2","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","1.54187","CuKα","","0.0805","0.0673","","","0.1751","0.186","","","","","","1.046","","","","has coordinates,has disorder","221452","2020-10-21","18:00:00",""
"4128330","19.3124","0.0009","19.3602","0.0007","21.1823","0.0011","64.389","0.004","80.212","0.004","62.406","0.004","6324.9","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C198 H270 Au24 Pt S18 -","- C198 H270 Au24 Pt S18 -","- C198 H270 Au24 Pt S18 -","1","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","1.54184","CuKα","","0.1054","0.0903","","","0.2697","0.2813","","","","","","1.119","","","","has coordinates,has disorder","221453","2020-10-21","18:00:00",""
"4128331","13.5826","0.0015","16.0653","0.0016","19.6261","0.0019","112.202","0.007","97.322","0.009","94.939","0.007","3890.5","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H162 Au24 Pd S18 -","- C144 H162 Au24 Pd S18 -","- C144 H162 Au24 Pd S18 -","1","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.0395","0.0363","","","0.0671","0.0686","","","","","","1.149","","","","has coordinates","221454","2020-10-21","18:00:00",""
"4128332","17.477","0.004","20.733","0.004","35.724","0.007","90","","95.792","0.003","90","","12879","5","93","2","93","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C229 H96 Au24 Cl2 F108 P2 Pd -","- C229 H96 Au24 Cl2 F108 P2 Pd -","- C458 H192 Au48 Cl4 F216 P4 Pd2 -","2","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.0725","0.0633","","","0.1563","0.1632","","","","","","1.124","","","","has coordinates,has disorder","221455","2020-10-21","18:00:00",""
"4128333","16.8731","0.0004","16.9117","0.0004","17.0006","0.0004","103.768","0.002","112.008","0.002","107.269","0.002","3946.7","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H198 Au24 Pd S18 Si18 -","- C72 H198 Au24 Pd S18 Si18 -","- C72 H198 Au24 Pd S18 Si18 -","1","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.0403","0.0354","","","0.1046","0.1067","","","","","","1.048","","","","has coordinates,has disorder","221456","2020-10-21","18:00:00",""
"4128334","16.139","0.006","16.956","0.006","17.758","0.007","111.431","0.003","116.42","0.002","94.089","0.002","3888","3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C115 H206 Au24 Pt S18 -","- C115 H206 Au24 Pt S18 -","- C115 H206 Au24 Pt S18 -","1","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.0646","0.0518","","","0.1107","0.1187","","","","","","1.004","","","","has coordinates,has disorder","221457","2020-10-21","18:00:00",""
"4128335","9.1921","0.0005","13.8664","0.0007","15.1426","0.0007","83.111","0.002","82.152","0.002","77.693","0.002","1859.83","0.16","173","2","173.01","","","","","","","","","8","P -1","-P 1","2","","","","- C66 H70 Ag2 F6 Ir2 N16 O6 S2 -","- C54 H52 Ag2 F6 Ir2 N10 O6 S2 -","- C54 H52 Ag2 F6 Ir2 N10 O6 S2 -","1","0.5","","Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot.","Journal of the American Chemical Society","2019","141","40","16057","16063","10.1021/jacs.9b08254","","","1.34138","GaKα","","0.0469","0.0408","","","0.1104","0.1143","","","","","","1.051","","","","has coordinates","221458","2020-10-21","18:00:00",""
"4128336","49.616","0.002","15.5826","0.0007","37.8111","0.0016","90","","106.495","0.002","90","","28030","2","173","2","173","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C130 H141 F12 Ir4 N16 O16.5 S4 -","- C125 H125.5 F12 Ir4 N13.5 O12.5 S4 -","- C1000 H1004 F96 Ir32 N108 O100 S32 -","8","2","","Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot.","Journal of the American Chemical Society","2019","141","40","16057","16063","10.1021/jacs.9b08254","","","1.34138","GaKα","","0.046","0.0449","","","0.119","0.1199","","","","","","1.015","","","","has coordinates,has disorder","221459","2020-10-21","18:00:00",""
"4128337","9.0059","0.0005","23.0531","0.0013","11.8913","0.0007","90","","91.56","0.002","90","","2467.9","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 F6 Ir2 N8 O6 S2 -","- C44 H50 F6 Ir2 N8 O6 S2 -","- C88 H100 F12 Ir4 N16 O12 S4 -","2","0.5","","Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot.","Journal of the American Chemical Society","2019","141","40","16057","16063","10.1021/jacs.9b08254","","","1.34138","GaKα","","0.0726","0.0705","","","0.1845","0.1878","","","","","","1.109","","","","has coordinates","221460","2020-10-21","18:00:00",""
"4128338","28.2902","0.0019","21.3553","0.0016","36.871","0.003","90","","101.089","0.003","90","","21860","3","173","2","172.99","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C210 H228 Ag2 F18 Ir6 N24 O26 S6 -","- C191.5 H182 Ag2 F10.5 Ir6 N22 O10.5 S3.5 -","- C766 H728 Ag8 F42 Ir24 N88 O42 S14 -","4","1","","Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot.","Journal of the American Chemical Society","2019","141","40","16057","16063","10.1021/jacs.9b08254","","","1.34139","GaKα","","0.0778","0.0589","","","0.1645","0.1794","","","","","","1.061","","","","has coordinates,has disorder","221461","2020-10-21","18:00:00",""
"4128339","7.9241","0.0007","9.4871","0.0009","16.0357","0.0014","90","","90","","90","","1205.51","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl2 N O3 -","- C11 H11 Cl2 N O3 -","- C44 H44 Cl8 N4 O12 -","4","1","","Fager, Diana C.; Lee, KyungA; Hoveyda, Amir H.","Catalytic Enantioselective Addition of an Allyl Group to Ketones Containing a Tri-, a Di-, or a Monohalomethyl Moiety. Stereochemical Control Based on Distinctive Electronic and Steric Attributes of C-Cl, C-Br, and C-F Bonds.","Journal of the American Chemical Society","2019","141","40","16125","16138","10.1021/jacs.9b08443","","","1.54178","CuKα","","0.0219","0.0218","","","0.0561","0.0562","","","","","","1.068","","","","has coordinates","221462","2020-10-21","18:00:00",""
"4128340","5.7046","0.0003","7.4441","0.0004","35.724","0.002","90","","90","","90","","1517.04","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br F O3 -","- C17 H16 Br F O3 -","- C68 H64 Br4 F4 O12 -","4","1","","Fager, Diana C.; Lee, KyungA; Hoveyda, Amir H.","Catalytic Enantioselective Addition of an Allyl Group to Ketones Containing a Tri-, a Di-, or a Monohalomethyl Moiety. Stereochemical Control Based on Distinctive Electronic and Steric Attributes of C-Cl, C-Br, and C-F Bonds.","Journal of the American Chemical Society","2019","141","40","16125","16138","10.1021/jacs.9b08443","","","1.54178","CuKα","","0.0445","0.0444","","","0.1143","0.1144","","","","","","1.3","","","","has coordinates","221463","2020-10-21","18:00:00",""
"4128341","5.3574","0.0002","9.2902","0.0004","28.0903","0.001","90","","90","","90","","1398.09","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 F4 N3 O -","- C14 H13 F4 N3 O -","- C56 H52 F16 N12 O4 -","4","1","","Fager, Diana C.; Lee, KyungA; Hoveyda, Amir H.","Catalytic Enantioselective Addition of an Allyl Group to Ketones Containing a Tri-, a Di-, or a Monohalomethyl Moiety. Stereochemical Control Based on Distinctive Electronic and Steric Attributes of C-Cl, C-Br, and C-F Bonds.","Journal of the American Chemical Society","2019","141","40","16125","16138","10.1021/jacs.9b08443","","","1.54178","CuKα","","0.0285","0.0278","","","0.075","0.0755","","","","","","1.053","","","","has coordinates","221464","2020-10-21","18:00:00",""
"4128342","8.0561","0.0006","6.0406","0.0004","14.5291","0.001","90","","98.325","0.002","90","","699.59","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 Cl3 O2 -","- C15 H13 Cl3 O2 -","- C30 H26 Cl6 O4 -","2","1","","Fager, Diana C.; Lee, KyungA; Hoveyda, Amir H.","Catalytic Enantioselective Addition of an Allyl Group to Ketones Containing a Tri-, a Di-, or a Monohalomethyl Moiety. Stereochemical Control Based on Distinctive Electronic and Steric Attributes of C-Cl, C-Br, and C-F Bonds.","Journal of the American Chemical Society","2019","141","40","16125","16138","10.1021/jacs.9b08443","","","1.54178","CuKα","","0.0674","0.0673","","","0.1728","0.1729","","","","","","1.109","","","","has coordinates","221465","2020-10-21","18:00:00",""
"4128343","13.0565","0.0004","15.3284","0.0005","30.5271","0.001","92.426","0.002","90.698","0.001","106.598","0.001","5847.9","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H123 F12 N4 O6 P6 Pt2 -","- C92 H123 F12 N4 O6 P6 Pt2 -","- C184 H246 F24 N8 O12 P12 Pt4 -","2","1","","Huo, Gui-Fei; Shi, Xueliang; Tu, Qian; Hu, Yi-Xiong; Wu, Gui-Yuan; Yin, Guang-Qiang; Li, Xiaopeng; Xu, Lin; Ding, Hong-Ming; Yang, Hai-Bo","Radical-Induced Hierarchical Self-Assembly Involving Supramolecular Coordination Complexes in Both Solution and Solid States.","Journal of the American Chemical Society","2019","141","40","16014","16023","10.1021/jacs.9b08149","","","1.54178","CuKα","","0.0824","0.0644","","","0.1759","0.1921","","","","","","1.056","","","","has coordinates","221466","2020-10-21","18:00:00",""
"4128344","26.1116","0.0003","12.5972","0.0002","14.3418","0.0002","90","","90","","90","","4717.49","0.11","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H34 Cl3 P2 Pt -","- C19 H34 Cl3 P2 Pt -","- C152 H272 Cl24 P16 Pt8 -","8","1","","Huo, Gui-Fei; Shi, Xueliang; Tu, Qian; Hu, Yi-Xiong; Wu, Gui-Yuan; Yin, Guang-Qiang; Li, Xiaopeng; Xu, Lin; Ding, Hong-Ming; Yang, Hai-Bo","Radical-Induced Hierarchical Self-Assembly Involving Supramolecular Coordination Complexes in Both Solution and Solid States.","Journal of the American Chemical Society","2019","141","40","16014","16023","10.1021/jacs.9b08149","","x-ray","1.54184","CuKα","","0.0612","0.0507","","","0.1271","0.134","","","","","","1.043","","","","has coordinates","221467","2020-10-21","18:00:00",""
"4128345","10.6217","0.0008","19.9663","0.0016","24.0398","0.0018","96.588","0.003","100.265","0.003","96.237","0.003","4939.9","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H48 F6 N2 O P3 Pt -","- C39 H48 F6 N2 O P3 Pt -","- C156 H192 F24 N8 O4 P12 Pt4 -","4","2","","Huo, Gui-Fei; Shi, Xueliang; Tu, Qian; Hu, Yi-Xiong; Wu, Gui-Yuan; Yin, Guang-Qiang; Li, Xiaopeng; Xu, Lin; Ding, Hong-Ming; Yang, Hai-Bo","Radical-Induced Hierarchical Self-Assembly Involving Supramolecular Coordination Complexes in Both Solution and Solid States.","Journal of the American Chemical Society","2019","141","40","16014","16023","10.1021/jacs.9b08149","","","1.54178","CuKα","","0.0696","0.0616","","","0.1752","0.1863","","","","","","1.076","","","","has coordinates","221468","2020-10-21","18:00:00",""
"4128346","16.2584","0.0002","17.3297","0.0003","25.0056","0.0004","107.614","0.001","91.395","0.001","117.174","0.001","5863.12","0.17","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H162 Au24 Hg S18 -","- C72 H162 Au24.0004 Hg0.9996 S18 -","- C144 H324 Au48.0008 Hg1.9992 S36 -","2","1","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","1.54184","CuKα","","0.0437","0.0396","","","0.104","0.1075","","","","","","1.04","","","","has coordinates,has disorder","221469","2020-10-21","18:00:00",""
"4128347","16.2535","0.0002","17.3097","0.0002","25.0233","0.0003","107.579","0.001","91.4","0.001","117.251","0.001","5855.46","0.14","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H162 Au24 Cd S18 -","- C72 H162 Au24.0004 Cd0.9996 S18 -","- C144 H324 Au48.0008 Cd1.9992 S36 -","2","1","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","1.54184","CuKα","","0.052","0.0481","","","0.1275","0.1322","","","","","","1.039","","","","has coordinates,has disorder","221470","2020-10-21","18:00:00",""
"4128348","31.3135","0.0005","27.0073","0.0003","18.5226","0.0002","90","","90","","90","","15664.4","0.3","120","0.1","120","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Cd S18 -","- C144 H162 Au24.0004 Cd0.9996 S18 -","- C576 H648 Au96.0016 Cd3.9984 S72 -","4","0.5","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","1.54184","CuKα","","0.0652","0.0559","","","0.1453","0.152","","","","","","1.059","","","","has coordinates,has disorder","221471","2020-10-21","18:00:00",""
"4128349","31.2563","0.0011","26.9439","0.0005","18.457","0.0005","90","","90","","90","","15543.9","0.7","120.01","0.1","120.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Hg S18 -","- C144 H162 Au24.0004 Hg0.9996 S18 -","- C576 H648 Au96.0016 Hg3.9984 S72 -","4","0.5","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","0.71073","MoKα","","0.1395","0.0824","","","0.1301","0.1504","","","","","","1.136","","","","has coordinates,has disorder","221472","2020-10-21","18:00:00",""
"4128350","31.2914","0.0004","27.0095","0.0003","18.5163","0.0002","90","","90","","90","","15649.3","0.3","120.01","0.1","120.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Hg S18 -","- C144 H162 Au24.0004 Hg0.9996 S18 -","- C576 H648 Au96.0016 Hg3.9984 S72 -","4","0.5","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","0.71073","MoKα","","0.0497","0.0407","","","0.0797","0.0826","","","","","","1.235","","","","has coordinates,has disorder","221473","2020-10-21","18:00:00",""
"4128351","16.2635","0.0002","17.3283","0.0002","25.0097","0.0003","107.58","0.001","91.337","0.001","117.222","0.001","5865.4","0.14","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H162 Au24 Cd S18 -","- C72 H162 Au24.0002 Cd0.9998 S18 -","- C144 H324 Au48.0004 Cd1.9996 S36 -","2","1","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","1.54184","CuKα","","0.0432","0.0399","","","0.1043","0.1075","","","","","","1.026","","","","has coordinates,has disorder","221474","2020-10-21","18:00:00",""
"4128352","13.615","0.002","5.6025","0.0007","20.277","0.003","90","","104.195","0.005","90","","1499.5","0.4","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Br O2 -","- C15 H19 Br O2 -","- C60 H76 Br4 O8 -","4","1","","Gao, Qianwen; Shang, Yong; Song, Fuzhen; Ye, Jinxiang; Liu, Ze-Shui; Li, Lisha; Cheng, Hong-Gang; Zhou, Qianghui","Modular Dual-Tasked C-H Methylation via the Catellani Strategy.","Journal of the American Chemical Society","2019","141","40","15986","15993","10.1021/jacs.9b07857","","","0.71073","MoKα","","0.0525","0.0386","","","0.1053","0.1223","","","","","","1.113","","","","has coordinates","221475","2020-10-21","18:00:00",""
"4128353","16.7047","0.0006","14.256","0.0006","17.8359","0.0006","90","","122.014","0.003","90","","3601.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F N3 -","- C23 H18 F N3 -","- C184 H144 F8 N24 -","8","2","","Le Fouler, Vincent; Chen, Yu; Gandon, Vincent; Bizet, Vincent; Salomé, Christophe; Fessard, Thomas; Liu, Fang; Houk, K. N.; Blanchard, Nicolas","Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions.","Journal of the American Chemical Society","2019","141","40","15901","15909","10.1021/jacs.9b07037","","","0.71073","MoKα","","0.0603","0.0491","","","0.1114","0.1173","","","","","","1.076","","","","has coordinates,has disorder","221476","2020-10-21","18:00:00",""
"4128354","8.0215","0.0003","10.3318","0.0004","12.9525","0.0005","73.191","0.001","89.769","0.001","75.301","0.001","991.17","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 F N4 O2 -","- C22 H25 F N4 O2 -","- C44 H50 F2 N8 O4 -","2","1","","Le Fouler, Vincent; Chen, Yu; Gandon, Vincent; Bizet, Vincent; Salomé, Christophe; Fessard, Thomas; Liu, Fang; Houk, K. N.; Blanchard, Nicolas","Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions.","Journal of the American Chemical Society","2019","141","40","15901","15909","10.1021/jacs.9b07037","","","0.71073","MoKα","","0.1409","0.0962","","","0.1272","0.145","","","","","","1.245","","","","has coordinates","221477","2020-10-21","18:00:00",""
"4128355","10.1762","0.0001","13.3486","0.0002","14.3784","0.0002","65.334","0.001","71.413","0.001","77.355","0.001","1673.96","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 F N3 -","- C13 H10 F N3 -","- C78 H60 F6 N18 -","6","3","","Le Fouler, Vincent; Chen, Yu; Gandon, Vincent; Bizet, Vincent; Salomé, Christophe; Fessard, Thomas; Liu, Fang; Houk, K. N.; Blanchard, Nicolas","Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions.","Journal of the American Chemical Society","2019","141","40","15901","15909","10.1021/jacs.9b07037","","","1.54178","CuKα","","0.0452","0.0374","","","0.098","0.1049","","","","","","1.019","","","","has coordinates","221478","2020-10-21","18:00:00",""
"4128356","12.2141","0.0006","11.1208","0.0006","9.4452","0.0003","90","","105.823","0.003","90","","1234.33","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N4 -","- C14 H11 F N4 -","- C56 H44 F4 N16 -","4","1","","Le Fouler, Vincent; Chen, Yu; Gandon, Vincent; Bizet, Vincent; Salomé, Christophe; Fessard, Thomas; Liu, Fang; Houk, K. N.; Blanchard, Nicolas","Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions.","Journal of the American Chemical Society","2019","141","40","15901","15909","10.1021/jacs.9b07037","","","0.71073","MoKα","","0.1213","0.1006","","","0.2062","0.2221","","","","","","1.448","","","","has coordinates","221479","2020-10-21","18:00:00",""
"4128357","9.757","0.0002","11.3567","0.0002","13.6657","0.0002","82.028","0.001","80.377","0.001","72.198","0.001","1415.27","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 F N3 -","- C17 H14 F N3 -","- C68 H56 F4 N12 -","4","2","","Le Fouler, Vincent; Chen, Yu; Gandon, Vincent; Bizet, Vincent; Salomé, Christophe; Fessard, Thomas; Liu, Fang; Houk, K. N.; Blanchard, Nicolas","Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions.","Journal of the American Chemical Society","2019","141","40","15901","15909","10.1021/jacs.9b07037","","","1.54178","CuKα","","0.0448","0.038","","","0.0925","0.0973","","","","","","1.041","","","","has coordinates,has disorder","221480","2020-10-21","18:00:00",""
"4128358","13.429","0.003","6.695","0.002","7.259","0.002","90","0.03","90","0.03","90","0.03","652.6","0.3","88","2","88","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C3 H N3 O3 Rb2 -","- C3 H N3 O3 Rb2 -","- C12 H4 N12 O12 Rb8 -","4","0.25","","Lu, Jing; Lian, Yu-Kun; Xiong, Lin; Wu, Qian-Ru; Zhao, Min; Shi, Ke-Xin; Chen, Ling; Wu, Li-Ming","How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates.","Journal of the American Chemical Society","2019","141","40","16151","16159","10.1021/jacs.9b08851","","","0.71073","MoKα","","0.0683","0.062","","","0.1721","0.1781","","","","","","1.21","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4128359","3.4142","0.0018","16.974","0.011","11.176","0.008","90","","90.92","0.02","90","","647.6","0.7","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 Li2 N3 O5 -","- C3 H5 Li2 N3 O5 -","- C12 H20 Li8 N12 O20 -","4","1","","Lu, Jing; Lian, Yu-Kun; Xiong, Lin; Wu, Qian-Ru; Zhao, Min; Shi, Ke-Xin; Chen, Ling; Wu, Li-Ming","How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates.","Journal of the American Chemical Society","2019","141","40","16151","16159","10.1021/jacs.9b08851","","","0.71073","MoKα","","0.0587","0.0403","","","0.0807","0.0865","","","","","","1.028","","","","has coordinates","221482","2020-10-21","18:00:00",""
"4128360","15.689","0.003","3.7585","0.0008","12.759","0.002","90","","90","","90","","752.4","0.2","273","2","273","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C3 H4 Cs0 Li N3 O5 Rb -","- C3 H4 Li N3 O5 Rb -","- C12 H16 Li4 N12 O20 Rb4 -","4","1","","Lu, Jing; Lian, Yu-Kun; Xiong, Lin; Wu, Qian-Ru; Zhao, Min; Shi, Ke-Xin; Chen, Ling; Wu, Li-Ming","How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates.","Journal of the American Chemical Society","2019","141","40","16151","16159","10.1021/jacs.9b08851","","","0.71073","MoKα","","0.0619","0.0459","","","0.1029","0.1095","","","","","","1.082","","","","has coordinates","221483","2020-10-21","18:00:00",""
"4128361","31.791","0.005","31.791","0.005","45.798","0.009","90","","90","","120","","40085","12","173","2","173","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C194 H148 N10 O20 -","- C194 H148 N10 O20 -","- C1164 H888 N60 O120 -","6","1","","Meng, Dong; Liu, Guogang; Xiao, Chengyi; Shi, Yanjun; Zhang, Lei; Jiang, Lang; Baldridge, Kim K.; Li, Yan; Siegel, Jay S.; Wang, Zhaohui","Corannurylene Pentapetalae.","Journal of the American Chemical Society","2019","141","13","5402","5408","10.1021/jacs.9b00053","","","0.71073","MoKα","","0.3206","0.2756","","","0.5701","0.6104","","","","","","1.519","","","","has coordinates","221484","2020-10-21","18:00:00",""
"4128362","21.504","0.004","22.883","0.005","44.815","0.009","96.64","0.004","100.37","0.006","109.8","0.009","20035","7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C191 H142 N10 O20 -","- C191 H142 N10 O20 -","- C764 H568 N40 O80 -","4","2","","Meng, Dong; Liu, Guogang; Xiao, Chengyi; Shi, Yanjun; Zhang, Lei; Jiang, Lang; Baldridge, Kim K.; Li, Yan; Siegel, Jay S.; Wang, Zhaohui","Corannurylene Pentapetalae.","Journal of the American Chemical Society","2019","141","13","5402","5408","10.1021/jacs.9b00053","","","0.88557","synchrotron","","0.3473","0.2807","","","0.571","0.6103","","","","","","1.973","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4128363","27.2333","0.0015","27.3279","0.0015","32.2689","0.0018","101.089","0.001","91.74","0.001","107.559","0.001","22369","2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C273.27 H366.41 N89.81 O140.75 Pd12 -","- C273.268 H366.408 N89.809 O140.745 Pd11.999 -","- C546.536 H732.816 N179.618 O281.49 Pd23.998 -","2","1","","Takezawa, Hiroki; Kanda, Tomoya; Nanjo, Hikaru; Fujita, Makoto","Site-Selective Functionalization of Linear Diterpenoids through U-Shaped Folding in a Confined Artificial Cavity.","Journal of the American Chemical Society","2019","141","13","5112","5115","10.1021/jacs.9b00131","","","0.71073","MoKα","","0.1884","0.0936","","","0.2613","0.3328","","","","","","1.019","","","","has coordinates,has disorder","221486","2020-10-21","18:00:00",""
"4128364","27.413","0.004","27.587","0.004","32.476","0.005","100.778","0.002","91.868","0.002","107.512","0.002","22905","6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C249.04 H325.16 N83.49 O104.67 Pd12 -","- C249.043 H325.158 N83.49 O104.666 Pd12 -","- C498.086 H650.316 N166.98 O209.332 Pd24 -","2","1","","Takezawa, Hiroki; Kanda, Tomoya; Nanjo, Hikaru; Fujita, Makoto","Site-Selective Functionalization of Linear Diterpenoids through U-Shaped Folding in a Confined Artificial Cavity.","Journal of the American Chemical Society","2019","141","13","5112","5115","10.1021/jacs.9b00131","","","0.71073","MoKα","","0.121","0.0865","","","0.272","0.2977","","","","","","1.042","","","","has coordinates,has disorder","221487","2020-10-21","18:00:00",""
"4128365","27.2824","0.0007","27.3856","0.0007","32.624","0.0008","100.843","0.001","92.109","0.001","107.136","0.001","22766.2","1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C127 H166.74 N41.46 O53.42 Pd6 -","- C126.997 H166.734 N41.4555 O53.418 Pd6 -","- C507.988 H666.938 N165.822 O213.672 Pd24 -","4","2","","Takezawa, Hiroki; Kanda, Tomoya; Nanjo, Hikaru; Fujita, Makoto","Site-Selective Functionalization of Linear Diterpenoids through U-Shaped Folding in a Confined Artificial Cavity.","Journal of the American Chemical Society","2019","141","13","5112","5115","10.1021/jacs.9b00131","","","0.71073","MoKα","","0.1447","0.0968","","","0.2928","0.3225","","","","","","1.106","","","","has coordinates,has disorder","221488","2020-10-21","18:00:00",""
"4128366","18.5092","0.0002","18.5092","0.0002","12.7134","0.0001","90","","90","","120","","3771.96","0.06","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C21 H26 B Br2 N O2 -","- C21 H26 B Br2 N O2 -","- C126 H156 B6 Br12 N6 O12 -","6","1","","Zou, Xiaoliang; Zhao, Haonan; Li, Yinwu; Gao, Qian; Ke, Zhuofeng; Senmiao Xu, ?","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Asymmetric C(sp<sup>2</sup>)-H Borylation of Diarylmethylamines.","Journal of the American Chemical Society","2019","141","13","5334","5342","10.1021/jacs.8b13756","","x-ray","1.54184","CuKα","","0.0509","0.0488","","","0.1487","0.1518","","","","","","1.1","","","","has coordinates","221489","2020-10-21","18:00:00",""
"4128367","12.233","0.0001","18.2364","0.0001","19.0123","0.0001","90","","90","","90","","4241.38","0.05","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H45 B Cl Ir N2 O Si -","- C38 H45 B Cl Ir N2 O Si -","- C152 H180 B4 Cl4 Ir4 N8 O4 Si4 -","4","1","","Zou, Xiaoliang; Zhao, Haonan; Li, Yinwu; Gao, Qian; Ke, Zhuofeng; Senmiao Xu, ?","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Asymmetric C(sp<sup>2</sup>)-H Borylation of Diarylmethylamines.","Journal of the American Chemical Society","2019","141","13","5334","5342","10.1021/jacs.8b13756","","x-ray","1.54184","CuKα","","0.0449","0.0444","","","0.1111","0.1115","","","","","","1.004","","","","has coordinates","221490","2020-10-21","18:00:00",""
"4128368","7.4113","0.0002","9.563","0.0002","18.357","0.0005","90","","90","","90","","1301.04","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Zou, Xiaoliang; Zhao, Haonan; Li, Yinwu; Gao, Qian; Ke, Zhuofeng; Senmiao Xu, ?","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Asymmetric C(sp<sup>2</sup>)-H Borylation of Diarylmethylamines.","Journal of the American Chemical Society","2019","141","13","5334","5342","10.1021/jacs.8b13756","","x-ray","1.54184","CuKα","","0.0383","0.0337","","","0.0867","0.0894","","","","","","1.001","","","","has coordinates","221491","2020-10-21","18:00:00",""
"4128369","7.76362","0.00014","21.0599","0.0004","9.84571","0.00014","90","","96.0573","0.0015","90","","1600.8","0.05","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C76 H76 Br4 O8 -","4","1","","Holt, Connor; Alachouzos, Georgios; Frontier, Alison J.","Leveraging the Halo-Nazarov Cyclization for the Chemodivergent Assembly of Functionalized Haloindenes and Indanones.","Journal of the American Chemical Society","2019","141","13","5461","5469","10.1021/jacs.9b00198","","x-ray","1.54184","CuKα","","0.0432","0.0419","","","0.1128","0.1158","","","","","","1.088","","","","has coordinates","221492","2020-10-21","18:00:00",""
"4128370","17.9455","0.0006","4.9568","0.0001","19.3568","0.0007","90","","112.704","0.004","90","","1588.41","0.1","100.01","0.12","100.01","0.12","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C76 H76 Br4 O8 -","4","1","","Holt, Connor; Alachouzos, Georgios; Frontier, Alison J.","Leveraging the Halo-Nazarov Cyclization for the Chemodivergent Assembly of Functionalized Haloindenes and Indanones.","Journal of the American Chemical Society","2019","141","13","5461","5469","10.1021/jacs.9b00198","","x-ray","1.54184","CuKα","","0.0556","0.0541","","","0.1409","0.1428","","","","","","1.082","","","","has coordinates","221493","2020-10-21","18:00:00",""
"4128371","9.2478","0.0001","9.9984","0.0001","17.5641","0.0001","90","","90","","90","","1624.03","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Holt, Connor; Alachouzos, Georgios; Frontier, Alison J.","Leveraging the Halo-Nazarov Cyclization for the Chemodivergent Assembly of Functionalized Haloindenes and Indanones.","Journal of the American Chemical Society","2019","141","13","5461","5469","10.1021/jacs.9b00198","","x-ray","1.54184","CuKα","","0.0294","0.0291","","","0.0744","0.075","","","","","","1.05","","","","has coordinates","221494","2020-10-21","18:00:00",""
"4128372","13.8662","0.0003","17.1025","0.0003","19.5603","0.0004","90","","90","","90","","4638.66","0.16","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","LCuOArH","LCuOArH","","- C45 H62 Cu N4 O3 -","- C45 H62 Cu N4 O3 -","- C180 H248 Cu4 N16 O12 -","4","1","","Bailey, Wilson D.; Dhar, Debanjan; Cramblitt, Anna C.; Tolman, William B.","Mechanistic Dichotomy in Proton-Coupled Electron-Transfer Reactions of Phenols with a Copper Superoxide Complex.","Journal of the American Chemical Society","2019","141","13","5470","5480","10.1021/jacs.9b00466","","","1.54178","CuKα","","0.0259","0.0258","","","0.0685","0.0687","","","","","","1.204","","","","has coordinates","221495","2020-10-21","18:00:00",""
"4128373","14.1362","0.0004","18.2096","0.0006","19.4267","0.0006","90","","103.126","0.001","90","","4870.1","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LCuOArOMe","LCuOArOMe","","- C50 H74 Cu N4 O5 -","- C50 H74 Cu N4 O5 -","- C200 H296 Cu4 N16 O20 -","4","1","","Bailey, Wilson D.; Dhar, Debanjan; Cramblitt, Anna C.; Tolman, William B.","Mechanistic Dichotomy in Proton-Coupled Electron-Transfer Reactions of Phenols with a Copper Superoxide Complex.","Journal of the American Chemical Society","2019","141","13","5470","5480","10.1021/jacs.9b00466","","","1.54178","CuKα","","0.0659","0.0621","","","0.1798","0.1846","","","","","","1.017","","","","has coordinates,has disorder","221495","2020-10-21","18:00:00",""
"4128374","12.804","0.0019","19.802","0.003","24.105","0.004","90","","92.625","0.004","90","","6105.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LCuOArNMe2","LCuOArNMe2","","- C39 H47 Cu N4 O3 -","- C39 H47 Cu N4 O3 -","- C156 H188 Cu4 N16 O12 -","4","1","","Bailey, Wilson D.; Dhar, Debanjan; Cramblitt, Anna C.; Tolman, William B.","Mechanistic Dichotomy in Proton-Coupled Electron-Transfer Reactions of Phenols with a Copper Superoxide Complex.","Journal of the American Chemical Society","2019","141","13","5470","5480","10.1021/jacs.9b00466","","","0.71073","MoKα","","0.1694","0.1568","","","0.468","0.4809","","","","","","2.206","","","","has coordinates","221495","2020-10-21","18:00:00",""
"4128375","18.1486","0.0005","20.9685","0.0006","18.7151","0.0005","90","","109.125","0.001","90","","6728.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H110 B6 N2 O2 P2 Si4 -","- C55 H110 B6 N2 O2 P2 Si4 -","- C220 H440 B24 N8 O8 P8 Si16 -","4","1","","Lu, Wei; Li, Yongxin; Kinjo, Rei","Crystalline Tetraatomic Boron(0) Species.","Journal of the American Chemical Society","2019","141","13","5164","5168","10.1021/jacs.9b02173","","","1.54178","CuKα","","0.0512","0.0466","","","0.1176","0.1218","","","","","","1.04","","","","has coordinates,has disorder","221496","2020-10-21","18:00:00",""
"4128376","15.1739","0.0003","15.9697","0.0002","24.5541","0.0004","77.863","0.001","86.54","0.002","69.678","0.002","5454.42","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H170 N6 O3 Re3 U -","- C116 H170 N6 O3 Re3 U -","- C232 H340 N12 O6 Re6 U2 -","2","1","","Boreen, Michael A.; Lohrey, Trevor D.; Rao, Guodong; Britt, R. David; Maron, Laurent; Arnold, John","A Uranium Tri-Rhenium Triple Inverse Sandwich Compound.","Journal of the American Chemical Society","2019","141","13","5144","5148","10.1021/jacs.9b01331","","","0.71073","MoKα","","0.0401","0.029","","","0.0623","0.0654","","","","","","1.034","","","","has coordinates,has disorder","221497","2020-10-21","18:00:00",""
"4128377","13.1634","0.0004","16.7458","0.0005","25.515","0.0008","98.327","0.002","90.663","0.002","109.671","0.001","5229.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1THF","","","- C112 H160 N6 O Re3 U -","- C112 H160 N6 O Re3 U -","- C224 H320 N12 O2 Re6 U2 -","2","1","","Boreen, Michael A.; Lohrey, Trevor D.; Rao, Guodong; Britt, R. David; Maron, Laurent; Arnold, John","A Uranium Tri-Rhenium Triple Inverse Sandwich Compound.","Journal of the American Chemical Society","2019","141","13","5144","5148","10.1021/jacs.9b01331","","","0.71073","MoKα","","0.0513","0.0345","","","0.0833","0.093","","","","","","1.05","","","","has coordinates,has disorder","221498","2020-10-21","18:00:00",""
"4128378","16.8272","0.0008","19.4767","0.0009","30.7821","0.0015","90","","98.321","0.002","90","","9982.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C109 H148 N8 Re3 U -","- C109 H148 N8 Re3 U -","- C436 H592 N32 Re12 U4 -","4","1","","Boreen, Michael A.; Lohrey, Trevor D.; Rao, Guodong; Britt, R. David; Maron, Laurent; Arnold, John","A Uranium Tri-Rhenium Triple Inverse Sandwich Compound.","Journal of the American Chemical Society","2019","141","13","5144","5148","10.1021/jacs.9b01331","","","0.7288","synchrotron","","0.032","0.0289","","","0.0726","0.0743","","","","","","1.026","","","","has coordinates,has disorder","221499","2020-10-21","18:00:00",""
"4128379","45.7488","0.0013","31.7238","0.0013","31.6653","0.0008","90","","122.171","0.004","90","","38901","3","150","0.1","150","0.1","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C258 H90 -","- C258 H90 -","- C1032 H360 -","4","1","","Zhu, Yanpeng; Guo, Xiaoyu; Li, Yang; Wang, Jiaobing","Fusing of Seven HBCs toward a Green Nanographene Propeller.","Journal of the American Chemical Society","2019","141","13","5511","5517","10.1021/jacs.9b01266","","x-ray","1.54178","CuKα","","0.1222","0.0931","","","0.208","0.2254","","","","","","0.899","","","","has coordinates","221500","2020-10-21","18:00:00",""
"4128380","12.5003","0.0011","8.0481","0.0007","16.3678","0.0017","90","","102.908","0.006","90","","1605","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 O4 S2 -","- C17 H16 O4 S2 -","- C68 H64 O16 S8 -","4","0.5","","Dolgopolova, Ekaterina A.; Galitskiy, Vladimir A.; Martin, Corey R.; Gregory, Haley N.; Yarbrough, Brandon J.; Rice, Allison M.; Berseneva, Anna A.; Ejegbavwo, Otega A.; Stephenson, Kenneth S.; Kittikhunnatham, Preecha; Karakalos, Stavros G.; Smith, Mark D.; Greytak, Andrew B.; Garashchuk, Sophya; Shustova, Natalia B.","Connecting Wires: Photoinduced Electronic Structure Modulation in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","13","5350","5358","10.1021/jacs.8b13853","","x-ray","0.71073","MoKα","","0.0715","0.0506","","","0.1218","0.1335","","","","","","1.076","","","","has coordinates","221501","2020-10-21","18:00:00",""
"4128381","11.4319","0.0004","15.7328","0.0006","18.3308","0.0007","90","","90","","90","","3296.9","0.2","301","2","301","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C51 H28 Br2 N2 O9 Zn2 -","- C50 H28 Br2 N2 O8 Zn2 -","- C50 H28 Br2 N2 O8 Zn2 -","1","0.125","","Dolgopolova, Ekaterina A.; Galitskiy, Vladimir A.; Martin, Corey R.; Gregory, Haley N.; Yarbrough, Brandon J.; Rice, Allison M.; Berseneva, Anna A.; Ejegbavwo, Otega A.; Stephenson, Kenneth S.; Kittikhunnatham, Preecha; Karakalos, Stavros G.; Smith, Mark D.; Greytak, Andrew B.; Garashchuk, Sophya; Shustova, Natalia B.","Connecting Wires: Photoinduced Electronic Structure Modulation in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","13","5350","5358","10.1021/jacs.8b13853","","x-ray","0.71073","MoKα","","0.0548","0.0495","","","0.1469","0.1543","","","","","","1.124","","","","has coordinates,has disorder","221502","2020-10-21","18:00:00",""
"4128382","26.4692","0.0019","17.4806","0.0013","29.688","0.002","90","","103.562","0.002","90","","13353.5","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H42 N2 O8 S2 Zn2 -","- C57 H42 N2 O8 S2 Zn2 -","- C456 H336 N16 O64 S16 Zn16 -","8","2","","Dolgopolova, Ekaterina A.; Galitskiy, Vladimir A.; Martin, Corey R.; Gregory, Haley N.; Yarbrough, Brandon J.; Rice, Allison M.; Berseneva, Anna A.; Ejegbavwo, Otega A.; Stephenson, Kenneth S.; Kittikhunnatham, Preecha; Karakalos, Stavros G.; Smith, Mark D.; Greytak, Andrew B.; Garashchuk, Sophya; Shustova, Natalia B.","Connecting Wires: Photoinduced Electronic Structure Modulation in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","13","5350","5358","10.1021/jacs.8b13853","","x-ray","0.71073","MoKα","","0.1305","0.0866","","","0.2067","0.2308","","","","","","1.027","","","","has coordinates,has disorder","221503","2020-10-21","18:00:00",""
"4128383","5.4657","0.0002","13.2961","0.0005","25.2012","0.0011","90","","90","","90","","1831.43","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N3 O -","- C21 H20 Br N3 O -","- C84 H80 Br4 N12 O4 -","4","1","","Liu, En-Chih; Topczewski, Joseph J.","Enantioselective Copper Catalyzed Alkyne-Azide Cycloaddition by Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2019","141","13","5135","5138","10.1021/jacs.9b01091","","","0.71073","MoKα","","0.0342","0.0286","","","0.0589","0.0607","","","","","","1.023","","","","has coordinates","221504","2020-10-21","18:00:00",""
"4128384","18.6122","0.0004","22.6992","0.0004","27.114","0.0005","90","","90","","90","","11455.2","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O7 S Si -","- C25 H38 O7 S Si -","- C400 H608 O112 S16 Si16 -","16","4","","Dimakos, Victoria; Su, Hsin Y.; Garrett, Graham E.; Taylor, Mark S.","Site-Selective and Stereoselective C-H Alkylations of Carbohydrates via Combined Diarylborinic Acid and Photoredox Catalysis.","Journal of the American Chemical Society","2019","141","13","5149","5153","10.1021/jacs.9b01531","","","1.54178","CuKα","","0.0779","0.0674","","","0.1855","0.199","","","","","","1.007","","","","has coordinates,has disorder","221505","2020-10-21","18:00:00",""
"4128385","41.3091","0.0013","8.9764","0.0003","8.8719","0.0003","90","","95.0826","0.0018","90","","3276.83","0.19","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Pentylammonium Methylammonium Lead iodide","","","- C11 H34 I7 N3 Pb2 -","- C11 H34 I7 N3 Pb2 -","- C44 H136 I28 N12 Pb8 -","4","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.0588","0.0421","","","0.1111","0.1194","","","","1.54","1.54","1.42","","","","has coordinates","221506","2020-10-21","18:00:00",""
"4128386","39.454","0.0007","8.9418","0.0006","8.893","0.003","90","","93.698","0.004","90","","3130.8","1.1","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","Pentylammonium Methylammonium Lead iodide","","","- C14 H52 I16 N6 Pb5 -","- C14 H52 I16 N6 Pb5 -","- C28 H104 I32 N12 Pb10 -","2","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.1338","0.1045","","","0.2664","0.2765","","","","2.91","2.91","2.5","","","","has coordinates","221507","2020-10-21","18:00:00",""
"4128387","66.269","0.005","8.948","0.0005","8.8839","0.0006","90","","93.179","0.004","90","","5259.8","0.6","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Pentylammonium Methylammonium Lead iodide","","","- C13 H46 I13 N5 Pb4 -","- C13 H46 I13 N5 Pb4 -","- C52 H184 I52 N20 Pb16 -","4","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.1339","0.0699","","","0.1812","0.2057","","","","1.79","1.79","1.48","","","","has coordinates","221508","2020-10-21","18:00:00",""
"4128388","68.752","0.008","8.9445","0.0009","8.8984","0.0009","90","","93.77","0.005","90","","5460.2","1","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Hexylammonium Methylammonium Lead iodide","","","- C15 H50 I13 N5 Pb4 -","- C15 H50 I13 N5 Pb4 -","- C60 H200 I52 N20 Pb16 -","4","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.111","0.0829","","","0.218","0.2263","","","","2.67","2.67","2.32","","","","has coordinates","221509","2020-10-21","18:00:00",""
"4128389","26.9783","0.0002","8.954","0.0002","8.8757","0.0006","90","","95.5426","0.0009","90","","2134.02","0.15","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","Pentylammonium Methylammonium Lead iodide","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C24 H80 I20 N8 Pb6 -","2","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.0571","0.0432","","","0.1222","0.127","","","","2.13","2.13","1.93","","","","has coordinates","221510","2020-10-21","18:00:00",""
"4128390","28.1426","0.0002","8.9413","0.0001","8.9025","0.0005","90","","94.5632","0.001","90","","2233.05","0.13","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","Hexylammonium Methylammonium Lead iodide","","","- C14 H44 I10 N4 Pb3 -","- C14 H44 I10 N4 Pb3 -","- C28 H88 I20 N8 Pb6 -","2","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.0815","0.0519","","","0.1369","0.1496","","","","1.66","1.66","1.47","","","","has coordinates","221511","2020-10-21","18:00:00",""
"4128391","45.3552","0.0008","8.9209","0.0002","8.8062","0.0002","90","","98.2088","0.0008","90","","3526.56","0.13","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Hexylammonium Methylammonium Lead iodide","","","- C13 H38 I7 N3 Pb2 -","- C13 H38 I7 N3 Pb2 -","- C52 H152 I28 N12 Pb8 -","4","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.0579","0.0443","","","0.1172","0.1242","","","","1.73","1.73","1.63","","","","has coordinates","221512","2020-10-21","18:00:00",""
"4128392","16.181","0.002","16.229","0.002","18.735","0.003","64.77","0.002","76.472","0.002","76.628","0.002","4278.3","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C99.18 H63.18 Cl3.54 F12 N4 -","- C99.181 H63.181 Cl3.543 F12 N4 -","- C198.362 H126.362 Cl7.086 F24 N8 -","2","1","","Suzuki, Wataru; Kotani, Hiroaki; Ishizuka, Tomoya; Kojima, Takahiko","Dioxygen/Hydrogen Peroxide Interconversion Using Redox Couples of Saddle-Distorted Porphyrins and Isophlorins.","Journal of the American Chemical Society","2019","141","14","5987","5994","10.1021/jacs.9b01038","","","0.71073","MoKα","","0.1456","0.0894","","","0.2179","0.2563","","","","","","1.017","","","","has coordinates,has disorder","221513","2020-10-21","18:00:00",""
"4128393","15.1005","0.0014","16.7532","0.0015","18.7562","0.0017","90.18","0.001","109.151","0.001","97.462","0.001","4439.1","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H64 F12 N4 O -","- C98 H64 F12 N4 O -","- C196 H128 F24 N8 O2 -","2","1","","Suzuki, Wataru; Kotani, Hiroaki; Ishizuka, Tomoya; Kojima, Takahiko","Dioxygen/Hydrogen Peroxide Interconversion Using Redox Couples of Saddle-Distorted Porphyrins and Isophlorins.","Journal of the American Chemical Society","2019","141","14","5987","5994","10.1021/jacs.9b01038","","","0.71073","MoKα","","0.0891","0.0634","","","0.168","0.1878","","","","","","1.036","","","","has coordinates,has disorder","221514","2020-10-21","18:00:00",""
"4128394","9.5175","0.0001","10.2604","0.0001","22.887","0.0003","90","","90","","90","","2234.99","0.04","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl N O4 -","- C23 H24 Cl N O4 -","- C92 H96 Cl4 N4 O16 -","4","1","","Lin, Hua-Chen; Xie, Pei-Pei; Dai, Zhen-Yao; Zhang, Shuo-Qing; Wang, Pu-Sheng; Chen, Yu-Gen; Wang, Tian-Ci; Hong, Xin; Gong, Liu-Zhu","Nucleophile-Dependent Z/ E- and Regioselectivity in the Palladium-Catalyzed Asymmetric Allylic C-H Alkylation of 1,4-Dienes.","Journal of the American Chemical Society","2019","141","14","5824","5834","10.1021/jacs.8b13582","","","1.54184","CuKα","","0.0339","0.0327","","","0.0896","0.0911","","","","","","1.035","","","","has coordinates","221515","2020-10-21","18:00:00",""
"4128395","5.4588","0.00013","10.6465","0.0003","21.7635","0.0006","90","","90","","90","","1264.83","0.06","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","1.54184","CuKα","","0.0368","0.0331","","","0.0829","0.086","","","","","","1.074","","","","has coordinates","221516","2020-10-21","18:00:00",""
"4128396","7.0976","0.0012","12.673","0.003","8.57","0.0015","90","","112.29","0.02","90","","713.3","0.3","140","0.1","140","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H15 Co I2 O -","- C11 H15 Co I2 O -","- C22 H30 Co2 I4 O2 -","2","0.5","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","1.54184","CuKα","","0.0824","0.0758","","","0.1814","0.1863","","","","","","1.057","","","","has coordinates,has disorder","221517","2020-10-21","18:00:00",""
"4128397","9.1246","0.0002","6.02431","0.00018","23.2712","0.0005","90","","100.952","0.002","90","","1255.91","0.05","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","2","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","1.54184","CuKα","","0.0381","0.0351","","","0.0925","0.0955","","","","","","1.045","","","","has coordinates","221518","2020-10-21","18:00:00",""
"4128398","7.8959","0.00014","18.3744","0.0003","10.6262","0.0002","90","","104.823","0.002","90","","1490.37","0.05","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 Co I2 O3 -","- C33 H29 Co I2 O3 -","- C66 H58 Co2 I4 O6 -","2","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0459","0.0337","","","0.0616","0.0676","","","","","","1.049","","","","has coordinates","221519","2020-10-21","18:00:00",""
"4128399","7.74793","0.00011","12.5796","0.0002","18.6446","0.0003","90","","99.7262","0.0016","90","","1791.09","0.05","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H37 Co I2 O3 -","- C40 H37 Co I2 O3 -","- C80 H74 Co2 I4 O6 -","2","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0407","0.0331","","","0.0659","0.0698","","","","","","1.03","","","","has coordinates,has disorder","221520","2020-10-21","18:00:00",""
"4128400","14.8651","0.0005","7.3449","0.0003","15.0607","0.0006","90","","98.255","0.004","90","","1627.33","0.11","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H23 Co I2 O3 -","- C30 H23 Co I2 O3 -","- C60 H46 Co2 I4 O6 -","2","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0415","0.0314","","","0.0557","0.0602","","","","","","0.984","","","","has coordinates","221522","2020-10-21","18:00:00",""
"4128401","10.8622","0.0002","5.17605","0.00011","19.432","0.0004","90","","101.425","0.0019","90","","1070.88","0.04","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","2","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","1.54184","CuKα","","0.0412","0.0372","","","0.0933","0.097","","","","","","1.013","","","","has coordinates","221523","2020-10-21","18:00:00",""
"4128402","9.9249","0.0002","12.0314","0.0003","25.6817","0.0006","90","","90","","90","","3066.66","0.12","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Co I2 O3 -","- C34 H31 Co I2 O3 -","- C136 H124 Co4 I8 O12 -","4","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0438","0.0345","","","0.069","0.0733","","","","","","1.06","","","","has coordinates","221524","2020-10-21","18:00:00",""
"4128403","11.7035","0.0005","7.6414","0.0003","10.7527","0.0004","90","","93.565","0.004","90","","959.77","0.07","140","0.1","140","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0544","0.0429","","","0.1009","0.1072","","","","","","1.082","","","","has coordinates,has disorder","221525","2020-10-21","18:00:00",""
"4128404","7.5991","0.0015","9.5866","0.0019","20.193","0.004","90","","90","","90","","1471.1","0.5","100","2","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Mn N9 -","- C10 H20 Mn N9 -","- C40 H80 Mn4 N36 -","4","1","","Vaddypally, Shivaiah; Tomlinson, Warren; O'Sullivan, Owen T; Ding, Ran; Van Vliet, Megan M.; Wayland, Bradford B.; Hooper, Joseph P.; Zdilla, Michael J.","Activation of C-H, N-H, and O-H Bonds via Proton-Coupled Electron Transfer to a Mn(III) Complex of Redox-Noninnocent Octaazacyclotetradecadiene, a Catenated-Nitrogen Macrocyclic Ligand.","Journal of the American Chemical Society","2019","141","14","5699","5709","10.1021/jacs.8b10250","","","0.71073","MoKα","","0.0455","0.0418","","","0.1078","0.1099","","","","","","1.088","","","","has coordinates","221526","2020-10-21","18:00:00",""
"4128405","8.3841","0.0011","15.402","0.002","17.081","0.002","73.318","0.003","81.288","0.003","89.959","0.003","2086.4","0.5","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H30 Mn N9 Si2 -","- C12 H30 Mn N9 Si2 -","- C48 H120 Mn4 N36 Si8 -","4","2","","Vaddypally, Shivaiah; Tomlinson, Warren; O'Sullivan, Owen T; Ding, Ran; Van Vliet, Megan M.; Wayland, Bradford B.; Hooper, Joseph P.; Zdilla, Michael J.","Activation of C-H, N-H, and O-H Bonds via Proton-Coupled Electron Transfer to a Mn(III) Complex of Redox-Noninnocent Octaazacyclotetradecadiene, a Catenated-Nitrogen Macrocyclic Ligand.","Journal of the American Chemical Society","2019","141","14","5699","5709","10.1021/jacs.8b10250","","","0.71073","MoKα","","0.0767","0.046","","","0.1026","0.1154","","","","","","1.014","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4128406","17.504","0.002","18.005","0.002","17.337","0.002","90","","113.955","0.002","90","","4993.3","1","100","2","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H78 Mn2 N26 O2 -","- C38 H78 Mn2 N26 O2 -","- C152 H312 Mn8 N104 O8 -","4","1","","Vaddypally, Shivaiah; Tomlinson, Warren; O'Sullivan, Owen T; Ding, Ran; Van Vliet, Megan M.; Wayland, Bradford B.; Hooper, Joseph P.; Zdilla, Michael J.","Activation of C-H, N-H, and O-H Bonds via Proton-Coupled Electron Transfer to a Mn(III) Complex of Redox-Noninnocent Octaazacyclotetradecadiene, a Catenated-Nitrogen Macrocyclic Ligand.","Journal of the American Chemical Society","2019","141","14","5699","5709","10.1021/jacs.8b10250","","","0.71073","MoKα","","0.0675","0.0454","","","0.1085","0.1173","","","","","","1.05","","","","has coordinates,has disorder","221526","2020-10-21","18:00:00",""
"4128407","8.5118","0.0004","21.5727","0.001","14.8041","0.0007","90","","98.907","0.005","90","","2685.6","0.2","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N6 O5 -","- C30 H30 N6 O5 -","- C120 H120 N24 O20 -","4","1","","Kang, Suk-Il; Lee, Milim; Lee, Dongwhan","Weak Links To Differentiate Weak Bonds: Size-Selective Response of π-Conjugated Macrocycle Gels to Ammonium Ions.","Journal of the American Chemical Society","2019","141","14","5980","5986","10.1021/jacs.9b01002","","x-ray","0.71073","MoKα","","0.0699","0.0487","","","0.1253","0.1391","","","","","","1.0581","","","","has coordinates","221527","2020-10-21","18:00:00",""
"4128408","4.22755","0.00016","26.151","0.0008","18.5287","0.0007","90","","95.85","0.003","90","","2037.77","0.13","100.1","0.8","100.1","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2^1E,2^8E)-1^5,3^5-dibromo-2^2,2^7-dihydro-4,7,10-trioxa-2(2,7)-benzo[1,2-d:3,4-d']bis([1,2,3]triazole)a-1,3(1,2)-dibenzenacyclodecaphane","","- C22 H16 Br2 N6 O3 -","- C22 H16 Br2 N6 O3 -","- C88 H64 Br8 N24 O12 -","4","1","","Kang, Suk-Il; Lee, Milim; Lee, Dongwhan","Weak Links To Differentiate Weak Bonds: Size-Selective Response of π-Conjugated Macrocycle Gels to Ammonium Ions.","Journal of the American Chemical Society","2019","141","14","5980","5986","10.1021/jacs.9b01002","","x-ray","1.54184","CuKα","","0.0322","0.0297","","","0.0775","0.0797","","","","","","1.049","","","","has coordinates","221528","2020-10-21","18:00:00",""
"4128409","12.297","0.003","7.774","0.0016","20.789","0.004","90","","90.85","0.03","90","","1987.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 F9 N6 O7 -","- C12 H17 F9 N6 O7 -","- C48 H68 F36 N24 O28 -","4","1","","Huang, Rui-Kang; Wang, Sha-Sha; Liu, De-Xuan; Li, Xin; Song, Jian-Ming; Xia, Yuan-Hua; Zhou, Dong-Dong; Huang, Jin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Supercooling Behavior and Dipole-Glass-like Relaxation in a Three-Dimensional Water Framework.","Journal of the American Chemical Society","2019","141","14","5645","5649","10.1021/jacs.9b01866","","","0.6525","Synchrotron","","0.0645","0.0602","","","0.1762","0.1849","","","","","","1.071","","","","has coordinates","221529","2020-10-21","18:00:00",""
"4128410","12.338","0.003","7.906","0.0016","21.055","0.004","90","","90","","90","","2053.8","0.8","293","2","293","2","","","","","","","","5","P c n b","-P 2b 2ac","60","","","","- C12 H17 F9 N6 O7 -","- C12 H17 F9 N6 O7 -","- C48 H68 F36 N24 O28 -","4","0.5","","Huang, Rui-Kang; Wang, Sha-Sha; Liu, De-Xuan; Li, Xin; Song, Jian-Ming; Xia, Yuan-Hua; Zhou, Dong-Dong; Huang, Jin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Supercooling Behavior and Dipole-Glass-like Relaxation in a Three-Dimensional Water Framework.","Journal of the American Chemical Society","2019","141","14","5645","5649","10.1021/jacs.9b01866","","","0.6525","Synchrotron","","0.0525","0.0433","","","0.1178","0.126","","","","","","1.04","","","","has coordinates,has disorder","221530","2020-10-21","18:00:00",""
"4128411","12.283","0.003","7.782","0.0016","20.867","0.004","90","","90","","90","","1994.6","0.7","100","2","100","2","","","","","","","","5","P c n b","-P 2b 2ac","60","","","","- C12 H17 F9 N6 O7 -","- C12 H17 F9 N6 O7 -","- C48 H68 F36 N24 O28 -","4","0.5","","Huang, Rui-Kang; Wang, Sha-Sha; Liu, De-Xuan; Li, Xin; Song, Jian-Ming; Xia, Yuan-Hua; Zhou, Dong-Dong; Huang, Jin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Supercooling Behavior and Dipole-Glass-like Relaxation in a Three-Dimensional Water Framework.","Journal of the American Chemical Society","2019","141","14","5645","5649","10.1021/jacs.9b01866","","","0.6525","synchrotron","","0.0478","0.046","","","0.1362","0.1386","","","","","","1.122","","","","has coordinates,has disorder","221531","2020-10-21","18:00:00",""
"4128412","6.606","0.0001","12.0607","0.0002","31.8122","0.0008","90","","90","","90","","2534.57","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35.5 Br N3 O3.75 -","- C23 H35.5 Br N3 O3.75 -","- C92 H142 Br4 N12 O15 -","4","1","","Combes, Sébastien; Tran, Khoa Truong; Ayhan, Mehmet Menaf; Karoui, Hakim; Rockenbauer, Antal; Tonetto, Alain; Monnier, Valérie; Charles, Laurence; Rosas, Roselyne; Viel, Stéphane; Siri, Didier; Tordo, Paul; Clair, Sylvain; Wang, Ruibing; Bardelang, David; Ouari, Olivier","Triangular Regulation of Cucurbit[8]uril 1:1 Complexes.","Journal of the American Chemical Society","2019","141","14","5897","5907","10.1021/jacs.9b00150","","","0.71073","MoKα","","0.0842","0.0525","","","0.1176","0.1481","","","","","","1.154","","","","has coordinates","221532","2020-10-21","18:00:00",""
"4128413","5.1697","0.0006","7.5135","0.0009","9.1628","0.0011","76.716","0.009","74.826","0.009","84.882","0.009","334.15","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H18 B2 -","- C16 H18 B2 -","- C16 H18 B2 -","1","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0534","0.0473","","","0.136","0.1397","","","","","","1.114","","","","has coordinates","221533","2020-10-21","18:00:00",""
"4128414","10.3844","0.0007","8.6036","0.0004","12.5024","0.0008","90","","98.997","0.005","90","","1103.26","0.12","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 B2 -","- C28 H26 B2 -","- C56 H52 B4 -","2","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0562","0.0477","","","0.1226","0.1282","","","","","","1.059","","","","has coordinates","221533","2020-10-21","18:00:00",""
"4128415","9.1549","0.0007","9.8159","0.0007","11.6092","0.0009","69.862","0.006","79.949","0.006","81.811","0.006","960.6","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 B2 Li2 O4 -","- C42 H54 B2 Li2 O4 -","- C42 H54 B2 Li2 O4 -","1","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0873","0.0604","","","0.141","0.1523","","","","","","0.978","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128416","16.846","0.002","10.2105","0.0008","15.0325","0.0017","90","","106.425","0.009","90","","2480.2","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 B2 Na2 O3 -","- C24 H34 B2 Na2 O3 -","- C96 H136 B8 Na8 O12 -","4","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0689","0.0476","","","0.1156","0.1238","","","","","","1.043","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128417","14.6657","0.0007","10.0154","0.0004","21.2355","0.001","90","","102.926","0.004","90","","3040.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 B2 K2 O4 -","- C28 H42 B2 K2 O4 -","- C112 H168 B8 K8 O16 -","4","1","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.073","0.0597","","","0.1597","0.1696","","","","","","1.021","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128418","6.358","0.0009","12.581","0.002","19.691","0.003","90","","90.278","0.012","90","","1575.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 B2 K2 O2 -","- C34 H38 B2 K2 O2 -","- C68 H76 B4 K4 O4 -","2","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.138","0.0735","","","0.1518","0.175","","","","","","0.971","","","","has coordinates","221533","2020-10-21","18:00:00",""
"4128419","16.013","0.0008","17.3067","0.0006","34.7821","0.0019","90","","101.572","0.004","90","","9443.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H134 B4 Na4 O12 -","- C94 H134 B4 Na4 O12 -","- C376 H536 B16 Na16 O48 -","4","1","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.1432","0.0682","","","0.1531","0.1844","","","","","","0.97","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128420","22.959","0.002","9.4933","0.0008","18.771","0.002","90","","90","","90","","4091.3","0.7","173","2","173","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C36 H60 B2 K2 O12 -","- C36 H60 B2 K2 O12 -","- C144 H240 B8 K8 O48 -","4","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.1055","0.0422","","","0.0586","0.0699","","","","","","0.872","","","","has coordinates","221533","2020-10-21","18:00:00",""
"4128421","11.1111","0.0003","24.7167","0.0005","16.6417","0.0004","90","","107.866","0.002","90","","4349.91","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 B4 K4 O3 -","- C40 H56 B4 K4 O3 -","- C160 H224 B16 K16 O12 -","4","1","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0517","0.0441","","","0.1148","0.1196","","","","","","1.059","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128422","11.9532","0.0007","12.655","0.0007","15.273","0.0009","112.47","0.004","90.868","0.005","100.044","0.005","2093.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H112 B4 K4 O14 -","- C84 H112 B4 K4 O14 -","- C84 H112 B4 K4 O14 -","1","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0506","0.0367","","","0.0902","0.095","","","","","","1.048","","","","has coordinates","221533","2020-10-21","18:00:00",""
"4128423","13.8997","0.0006","13.1337","0.0005","25.5265","0.0012","90","","104.454","0.004","90","","4512.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H70 B2 Li N O9 -","- C45 H70 B2 Li N O9 -","- C180 H280 B8 Li4 N4 O36 -","4","1","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0955","0.0637","","","0.158","0.1734","","","","","","1.042","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128424","14.3173","0.0013","12.8231","0.0008","20.9241","0.0018","90","","102.873","0.007","90","","3744.9","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H58 B2 Li2 O9 -","- C36 H58 B2 Li2 O9 -","- C144 H232 B8 Li8 O36 -","4","2","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.1072","0.0678","","","0.1387","0.1541","","","","","","0.95","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128425","8.2267","0.0005","41.4797","0.0019","53.185","0.003","90","","92.465","0.003","90","","18132.1","1.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C198 H198 O6 -","- C198 H198 O6 -","- C792 H792 O24 -","4","1","","Lu, Xuefeng; Gopalakrishna, Tullimilli Y.; Han, Yi; Ni, Yong; Zou, Ya; Wu, Jishan","Bowl-Shaped Carbon Nanobelts Showing Size-Dependent Properties and Selective Encapsulation of C<sub>70</sub>.","Journal of the American Chemical Society","2019","141","14","5934","5941","10.1021/jacs.9b00683","","","1.54178","CuKα","","0.2727","0.2283","","","0.5072","0.5377","","","","","","1.674","","","","has coordinates,has disorder","221534","2020-10-21","18:00:00",""
"4128426","8.3462","0.0005","11.106","0.0007","12.021","0.0006","112.915","0.005","99.596","0.004","105.642","0.005","940.81","0.11","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 Br O4 -","- C21 H27 Br O4 -","- C42 H54 Br2 O8 -","2","1","","Huang, David; Szewczyk, Suzanne M.; Zhang, Pengpeng; Newhouse, Timothy R.","Allyl-Nickel Catalysis Enables Carbonyl Dehydrogenation and Oxidative Cycloalkenylation of Ketones.","Journal of the American Chemical Society","2019","141","14","5669","5674","10.1021/jacs.9b02552","","","0.71073","MoKα","","0.0518","0.0409","","","0.1027","0.1092","","","","","","1.1","","","","has coordinates","221535","2020-10-21","18:00:00",""
"4128427","9.3155","0.0007","8.4154","0.0006","9.8563","0.0007","90","","112.865","0.002","90","","711.96","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H17 N -","- C19 H17 N -","- C38 H34 N2 -","2","1","","Zhang, Wu-Bin; Yang, Xin-Tuo; Ma, Jun-Bao; Su, Zhi-Ming; Shi, Shi-Liang","Regio- and Enantioselective C-H Cyclization of Pyridines with Alkenes Enabled by a Nickel/N-Heterocyclic Carbene Catalysis.","Journal of the American Chemical Society","2019","141","14","5628","5634","10.1021/jacs.9b00931","","","1.54178","CuKα","","0.031","0.0301","","","0.077","0.0779","","","","","","1.026","","","","has coordinates","221536","2020-10-21","18:00:00",""
"4128428","15.775","0.0012","8.5272","0.0006","14.2714","0.0011","90","","100.924","0.001","90","","1885","0.2","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 S3 -","- C23 H20 S3 -","- C92 H80 S12 -","4","1","","Ishiwari, Fumitaka; Nascimbeni, Giulia; Sauter, Eric; Tago, Hiromu; Shoji, Yoshiaki; Fujii, Shintaro; Kiguchi, Manabu; Tada, Tomofumi; Zharnikov, Michael; Zojer, Egbert; Fukushima, Takanori","Triptycene Tripods for the Formation of Highly Uniform and Densely Packed Self-Assembled Monolayers with Controlled Molecular Orientation.","Journal of the American Chemical Society","2019","141","14","5995","6005","10.1021/jacs.9b00950","","","0.71073","MoKα","","0.0336","0.0311","","","0.0798","0.0813","","","","","","1.068","","","","has coordinates","221537","2020-10-21","18:00:00",""
"4128429","10.7286","0.0004","11.7519","0.0004","15.0753","0.0005","95.481","0.002","102.26","0.002","115.318","0.002","1641.19","0.11","100","2","99.97","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H39 Cr O3 -","- C42 H39 Cr O3 -","- C84 H78 Cr2 O6 -","2","1","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","1.54178","CuKα","","0.0685","0.0493","","","0.0983","0.1061","","","","","","1.041","","","","has coordinates","221538","2020-10-21","18:00:00",""
"4128430","11.5802","0.001","15.8845","0.0012","20.0281","0.0017","90","","103.123","0.003","90","","3587.9","0.5","100","2","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H45 Cr O3 -","- C45 H45 Cr O3 -","- C180 H180 Cr4 O12 -","4","1","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","0.71073","MoKα","","0.0594","0.0409","","","0.1106","0.1225","","","","","","1.059","","","","has coordinates","221538","2020-10-21","18:00:00",""
"4128431","12.015","0.0016","12.4851","0.0016","15.1703","0.0019","75.513","0.005","87.541","0.005","80.203","0.005","2171.2","0.5","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 Cr O3 -","- C21 H21 Cr O3 -","- C84 H84 Cr4 O12 -","4","2","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","0.71073","MoKα","","0.0897","0.061","","","0.1147","0.1247","","","","","","1.039","","","","has coordinates","221538","2020-10-21","18:00:00",""
"4128432","20.0935","0.001","11.1921","0.0006","10.9889","0.0005","90","","116.859","0.002","90","","2204.68","0.19","100","2","100.05","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H29 Cr O4.58 -","- C25 H29 Cr O4.583 -","- C100 H116 Cr4 O18.332 -","4","1","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","0.71073","MoKα","","0.0366","0.031","","","0.073","0.075","","","","","","1.028","","","","has coordinates,has disorder","221538","2020-10-21","18:00:00",""
"4128433","8.3974","0.0004","22.6187","0.001","12.1007","0.0005","90","","92.754","0.002","90","","2295.73","0.18","100","2","100.09","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cr O3 -","- C27 H33 Cr O3 -","- C108 H132 Cr4 O12 -","4","1","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","0.71073","MoKα","","0.0631","0.0444","","","0.0987","0.1056","","","","","","1.065","","","","has coordinates","221538","2020-10-21","18:00:00",""
"4128434","12.9268","0.0007","16.7595","0.001","18.995","0.0009","104.445","0.002","96.51","0.002","107.746","0.002","3714.6","0.4","100","2","100.01","","","","","","","","","9","P -1","-P 1","2","","","","- C77.5 H62 B Cl Cr F24 N O2 P2 -","- C77.5 H62 B Cl Cr F24 N O2 P2 -","- C155 H124 B2 Cl2 Cr2 F48 N2 O4 P4 -","2","1","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","0.71073","MoKα","","0.0808","0.0621","","","0.1413","0.15","","","","","","1.1","","","","has coordinates,has disorder","221538","2020-10-21","18:00:00",""
"4128435","32.1523","0.0012","8.6704","0.0002","32.0714","0.0015","90","","115.022","0.005","90","","8101.5","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H52 B Eu N2 O9 -","- C33 H36 B Eu O7 -","- C264 H288 B8 Eu8 O56 -","8","1","","Ebrahim, Fatmah Mish; Nguyen, Tu N.; Shyshkanov, Serhii; Gładysiak, Andrzej; Favre, Patrick; Zacharia, Anna; Itskos, Grigorios; Dyson, Paul J.; Stylianou, Kyriakos C.","Selective, Fast-Response, and Regenerable Metal-Organic Framework for Sampling Excess Fluoride Levels in Drinking Water.","Journal of the American Chemical Society","2019","141","7","3052","3058","10.1021/jacs.8b11907","","x-ray","0.7142","","","0.134","0.1294","","","0.2641","0.2665","","","","","","1.072","","","","has coordinates","221539","2020-10-21","18:00:00",""
"4128436","9.855","0.003","13.243","0.003","13.89","0.005","90","","101.25","0.02","90","","1777.9","0.9","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H51 N O8 -","- C41 H51 N O8 -","- C82 H102 N2 O16 -","2","1","","Liu, Xin; Liu, Junyang; Wu, Jianlei; Huang, Guocheng; Liang, Rong; Chung, Lung Wa; Li, Chuang-Chuang","Asymmetric Total Synthesis of Cerorubenic Acid-III.","Journal of the American Chemical Society","2019","141","7","2872","2877","10.1021/jacs.8b12647","","x-ray","0.71073","MoKα","","0.0601","0.0567","","","0.1443","0.1471","","","","","","1.086","","","","has coordinates","221540","2020-10-21","18:00:00",""
"4128437","9.8763","0.0017","15.381","0.003","15.448","0.003","90","","90","","90","","2346.7","0.8","115","","115","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 O2 -","- C27 H42 O2 -","- C108 H168 O8 -","4","1","","Liu, Xin; Liu, Junyang; Wu, Jianlei; Huang, Guocheng; Liang, Rong; Chung, Lung Wa; Li, Chuang-Chuang","Asymmetric Total Synthesis of Cerorubenic Acid-III.","Journal of the American Chemical Society","2019","141","7","2872","2877","10.1021/jacs.8b12647","","","0.71073","MoKα","","0.0431","0.039","","","0.0878","0.0897","","","","","","1.087","","","","has coordinates","221541","2020-10-21","18:00:00",""
"4128438","19.503","0.002","19.503","0.002","11.1225","0.0017","90","","90","","120","","3663.8","0.8","100","2","100","","","","","","","","","4","P -6 m 2","P -6 2","187","","","","- C62 H32 Cr3 O16 -","- C62 H32 Cr3 O16 -","- C62 H32 Cr3 O16 -","1","0.0833333","","Chen, Zhijie; Li, Penghao; Zhang, Xuan; Li, Peng; Wasson, Megan C.; Islamoglu, Timur; Stoddart, J. Fraser; Farha, Omar K.","Reticular Access to Highly Porous acs-MOFs with Rigid Trigonal Prismatic Linkers for Water Sorption.","Journal of the American Chemical Society","2019","141","7","2900","2905","10.1021/jacs.8b13710","","","1.54178","CuKα","","0.0628","0.0466","","","0.1152","0.1246","","","","","","0.939","","","","has coordinates","221542","2020-10-21","18:00:00",""
"4128439","13.9834","0.0001","10.838","0.0001","11.6223","0.0001","90","","97.462","0.001","90","","1746.47","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 N2 O3 -","- C17 H31 N2 O3 -","- C68 H124 N8 O12 -","4","1","","Siu, Juno C.; Parry, Joseph B.; Lin, Song","Aminoxyl-Catalyzed Electrochemical Diazidation of Alkenes Mediated by a Metastable Charge-Transfer Complex.","Journal of the American Chemical Society","2019","141","7","2825","2831","10.1021/jacs.8b13192","","x-ray","1.54184","CuKα","","0.0371","0.0346","","","0.091","0.0929","","","","","","1.032","","","","has coordinates","221543","2020-10-21","18:00:00",""
"4128440","6.5749","0.0007","9.8918","0.0009","11.4738","0.0012","66.667","0.002","86.471","0.003","89.021","0.002","683.88","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Au Cl2 N4 -","- C11 H11 Au Cl2 N4 -","- C22 H22 Au2 Cl4 N8 -","2","1","","Li, Weipeng; Yuan, Dandan; Wang, Guoqiang; Zhao, Yue; Xie, Jin; Li, Shuhua; Zhu, Chengjian","Cooperative Au/Ag Dual-Catalyzed Cross-Dehydrogenative Biaryl Coupling: Reaction Development and Mechanistic Insight.","Journal of the American Chemical Society","2019","141","7","3187","3197","10.1021/jacs.8b12929","","","0.71073","MoKα","","0.0862","0.0846","","","0.2274","0.2288","","","","","","1.077","","","","has coordinates,has disorder","221544","2020-10-21","18:00:00",""
"4128441","3.313","0.002","9.985","0.006","13.4","0.008","90","","90","","90","","443.3","0.5","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- B2 Li2 Na2 O5 -","- B2 Li2 Na2 O5 -","- B8 Li8 Na8 O20 -","4","0.25","","Zhang, Min; An, Donghai; Hu, Cong; Chen, Xinglong; Yang, Zhihua; Pan, Shilie","Rational Design via Synergistic Combination Leads to an Outstanding Deep-Ultraviolet Birefringent Li<sub>2</sub>Na<sub>2</sub>B<sub>2</sub>O<sub>5</sub> Material with an Unvalued B<sub>2</sub>O<sub>5</sub> Functional Gene.","Journal of the American Chemical Society","2019","141","7","3258","3264","10.1021/jacs.8b13402","","","0.71073","MoKα","","0.0358","0.0304","","","0.0824","0.0853","","","","","","1.174","","","","has coordinates","221545","2020-10-21","18:00:00",""
"4128442","10.1047","0.0006","14.132","0.0007","14.8352","0.0008","111.146","0.005","93.115","0.005","104.921","0.005","1883.5","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","Ph2-s-PCPL+","","- C47 H25.7 Cl4 F3 O5 S -","- C47 H25.674 Cl4 F3 O5 S -","- C94 H51.348 Cl8 F6 O10 S2 -","2","1","","Wehrmann, Caleb M.; Charlton, Ryan T.; Chen, Mark S.","A Concise Synthetic Strategy for Accessing Ambient Stable Bisphenalenyls toward Achieving Electroactive Open-Shell π-Conjugated Materials.","Journal of the American Chemical Society","2019","141","7","3240","3248","10.1021/jacs.8b13300","","x-ray","0.71073","MoKα","","0.1645","0.0969","","","0.2612","0.3193","","","","","","1.029","","","","has coordinates,has disorder","221546","2020-10-21","18:00:00",""
"4128443","9.0833","0.0006","9.8014","0.0006","11.365","0.0007","106.928","0.005","111.639","0.006","92.186","0.005","887.63","0.11","150","","150","","","","","","","","","3","P -1","-P 1","2","","Ph2-IDPL","","- C46 H26 Cl6 -","- C46 H26 Cl6 -","- C46 H26 Cl6 -","1","0.5","","Wehrmann, Caleb M.; Charlton, Ryan T.; Chen, Mark S.","A Concise Synthetic Strategy for Accessing Ambient Stable Bisphenalenyls toward Achieving Electroactive Open-Shell π-Conjugated Materials.","Journal of the American Chemical Society","2019","141","7","3240","3248","10.1021/jacs.8b13300","","x-ray","0.71073","MoKα","","0.0943","0.0822","","","0.2435","0.2561","","","","","","1.068","","","","has coordinates","221547","2020-10-21","18:00:00",""
"4128444","16.926","0.004","9.04","0.002","15.522","0.004","90","","101.987","0.008","90","","2323.2","1","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Cu F9 N -","- C8 H5 Cu F9 N -","- C64 H40 Cu8 F72 N8 -","8","1","","Paeth, Matthew; Tyndall, Sam B.; Chen, Liang-Yu; Hong, Jia-Cheng; Carson, William P.; Liu, Xingwu; Sun, Xiaodong; Liu, Jinjia; Yang, Kundi; Hale, Elizabeth M.; Tierney, David L.; Liu, Bin; Cao, Zhi; Cheng, Mu-Jeng; Goddard, 3rd, William A; Liu, Wei","Csp<sup>3</sup>-Csp<sup>3</sup> Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes.","Journal of the American Chemical Society","2019","141","7","3153","3159","10.1021/jacs.8b12632","","","0.71073","MoKα","","0.0523","0.0353","","","0.0899","0.0982","","","","","","1.008","","","","has coordinates","221548","2020-10-21","18:00:00",""
"4128445","9.3496","0.0006","12.2827","0.0008","14.2427","0.0009","97.25","0.002","106.305","0.002","94.849","0.002","1544.86","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H41 Cl Cu F9 N2 -","- C25 H41 Cl Cu F9 N2 -","- C50 H82 Cl2 Cu2 F18 N4 -","2","1","","Paeth, Matthew; Tyndall, Sam B.; Chen, Liang-Yu; Hong, Jia-Cheng; Carson, William P.; Liu, Xingwu; Sun, Xiaodong; Liu, Jinjia; Yang, Kundi; Hale, Elizabeth M.; Tierney, David L.; Liu, Bin; Cao, Zhi; Cheng, Mu-Jeng; Goddard, 3rd, William A; Liu, Wei","Csp<sup>3</sup>-Csp<sup>3</sup> Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes.","Journal of the American Chemical Society","2019","141","7","3153","3159","10.1021/jacs.8b12632","","","0.71073","MoKα","","0.079","0.0466","","","0.1205","0.1347","","","","","","1.016","","","","has coordinates","221549","2020-10-21","18:00:00",""
"4128446","28.67","0.002","12.0733","0.0008","16.8245","0.0012","90","","104.183","0.004","90","","5646.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H42 Cu F9 N2 -","- C23 H42 Cu F9 N2 -","- C184 H336 Cu8 F72 N16 -","8","1","","Paeth, Matthew; Tyndall, Sam B.; Chen, Liang-Yu; Hong, Jia-Cheng; Carson, William P.; Liu, Xingwu; Sun, Xiaodong; Liu, Jinjia; Yang, Kundi; Hale, Elizabeth M.; Tierney, David L.; Liu, Bin; Cao, Zhi; Cheng, Mu-Jeng; Goddard, 3rd, William A; Liu, Wei","Csp<sup>3</sup>-Csp<sup>3</sup> Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes.","Journal of the American Chemical Society","2019","141","7","3153","3159","10.1021/jacs.8b12632","","","0.71073","MoKα","","0.0671","0.0456","","","0.1027","0.1122","","","","","","1.066","","","","has coordinates","221550","2020-10-21","18:00:00",""
"4128447","9.992","0.0004","11.5379","0.0004","13.0599","0.0005","96.997","0.001","92.663","0.001","92.2","0.001","1491.33","0.1","248","2","248","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H43 Cu F9 N -","- C26 H43 Cu F9 N -","- C52 H86 Cu2 F18 N2 -","2","1","","Paeth, Matthew; Tyndall, Sam B.; Chen, Liang-Yu; Hong, Jia-Cheng; Carson, William P.; Liu, Xingwu; Sun, Xiaodong; Liu, Jinjia; Yang, Kundi; Hale, Elizabeth M.; Tierney, David L.; Liu, Bin; Cao, Zhi; Cheng, Mu-Jeng; Goddard, 3rd, William A; Liu, Wei","Csp<sup>3</sup>-Csp<sup>3</sup> Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes.","Journal of the American Chemical Society","2019","141","7","3153","3159","10.1021/jacs.8b12632","","","0.71073","MoKα","","0.0891","0.0518","","","0.1173","0.1326","","","","","","1.027","","","","has coordinates","221551","2020-10-21","18:00:00",""
"4128448","8.3692","0.0004","15.4456","0.0007","18.9453","0.001","68.171","0.003","88.703","0.004","77.059","0.003","2210.7","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","ITIC-6F","","- C94 H76 F6 N4 O2 S4 -","- C94 H76 F6 N4 O2 S4 -","- C94 H76 F6 N4 O2 S4 -","1","0.5","","Aldrich, Thomas J.; Matta, Micaela; Zhu, Weigang; Swick, Steven M.; Stern, Charlotte L.; Schatz, George C.; Facchetti, Antonio; Melkonyan, Ferdinand S.; Marks, Tobin J.","Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response.","Journal of the American Chemical Society","2019","141","7","3274","3287","10.1021/jacs.8b13653","","","1.54178","CuKα","","0.1367","0.1234","","","0.3163","0.3243","","","","","","1.062","","","","has coordinates,has disorder","221552","2020-10-21","18:00:00",""
"4128449","15.4222","0.0008","17.6025","0.0011","21.1852","0.0012","73.995","0.004","68.809","0.004","81.206","0.004","5145.3","0.5","100","2","99.98","","","","","","","","","6","P -1","-P 1","2","","ITIC-4F","","- C188 H160 F8 N8 O4 S8 -","- C188 H160 F8 N8 O4 S8 -","- C188 H160 F8 N8 O4 S8 -","1","0.5","","Aldrich, Thomas J.; Matta, Micaela; Zhu, Weigang; Swick, Steven M.; Stern, Charlotte L.; Schatz, George C.; Facchetti, Antonio; Melkonyan, Ferdinand S.; Marks, Tobin J.","Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response.","Journal of the American Chemical Society","2019","141","7","3274","3287","10.1021/jacs.8b13653","","","1.54178","CuKα","","0.1853","0.1504","","","0.4104","0.4355","","","","","","1.61","","","","has coordinates,has disorder","221553","2020-10-21","18:00:00",""
"4128450","15.467","0.0005","17.5307","0.0007","20.7381","0.0008","82.827","0.003","68.565","0.002","80.934","0.002","5154.9","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","ITIC-0F:ITIC-4F cocrystal","","- C189 H162 Br2 F4 N8 O4 S8 -","- C189 H162 Br2 F4 N8 O4 S8 -","- C189 H162 Br2 F4 N8 O4 S8 -","1","0.5","","Aldrich, Thomas J.; Matta, Micaela; Zhu, Weigang; Swick, Steven M.; Stern, Charlotte L.; Schatz, George C.; Facchetti, Antonio; Melkonyan, Ferdinand S.; Marks, Tobin J.","Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response.","Journal of the American Chemical Society","2019","141","7","3274","3287","10.1021/jacs.8b13653","","","1.54178","CuKα","","0.1754","0.1532","","","0.4224","0.4418","","","","","","1.773","","","","has coordinates,has disorder","221554","2020-10-21","18:00:00",""
"4128451","8.42","0.006","23.019","0.017","23.126","0.017","101.78","0.01","95.319","0.01","91.105","0.014","4366","6","100","2","100.02","","","","","","","","","6","P -1","-P 1","2","","ITIC-0F","","- C96 H86 Br4 N4 O2 S4 -","- C96 H86 Br4 N4 O2 S4 -","- C192 H172 Br8 N8 O4 S8 -","2","1","","Aldrich, Thomas J.; Matta, Micaela; Zhu, Weigang; Swick, Steven M.; Stern, Charlotte L.; Schatz, George C.; Facchetti, Antonio; Melkonyan, Ferdinand S.; Marks, Tobin J.","Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response.","Journal of the American Chemical Society","2019","141","7","3274","3287","10.1021/jacs.8b13653","","","0.71073","MoKα","","0.1266","0.096","","","0.2792","0.3063","","","","","","1.041","","","","has coordinates,has disorder","221555","2020-10-21","18:00:00",""
"4128452","15.5206","0.0009","17.8326","0.0016","20.96","0.0019","72.141","0.008","68.454","0.006","80.226","0.007","5125.1","0.8","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","ITIC-2F","","- C94 H80 F2 N4 O2 S4 -","- C94 H80 F2 N4 O2 S4 -","- C188 H160 F4 N8 O4 S8 -","2","1","","Aldrich, Thomas J.; Matta, Micaela; Zhu, Weigang; Swick, Steven M.; Stern, Charlotte L.; Schatz, George C.; Facchetti, Antonio; Melkonyan, Ferdinand S.; Marks, Tobin J.","Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response.","Journal of the American Chemical Society","2019","141","7","3274","3287","10.1021/jacs.8b13653","","","1.54178","CuKα","","0.2814","0.2316","","","0.5059","0.5329","","","","","","1.614","","","","has coordinates,has disorder","221556","2020-10-21","18:00:00",""
"4128453","7.339","0.0007","7.6739","0.0007","11.4931","0.001","105.065","0.002","95.119","0.002","114.634","0.002","553.57","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 B Cl O2 -","- C10 H18 B Cl O2 -","- C20 H36 B2 Cl2 O4 -","2","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","0.71073","MoKα","","0.0485","0.0434","","","0.1122","0.1157","","","","","","1.085","","","","has coordinates","221557","2020-10-21","18:00:00",""
"4128454","7.2805","0.0002","11.3131","0.0003","13.8979","0.0004","78.564","0.001","78.616","0.001","85.234","0.001","1098.75","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 Cl3 O4 -","- C21 H29 Cl3 O4 -","- C42 H58 Cl6 O8 -","2","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","1.54184","CuKα","","0.0294","0.0277","","","0.0746","0.0756","","","","","","1.083","","","","has coordinates","221558","2020-10-21","18:00:00",""
"4128455","10.912","0.0005","9.4971","0.0005","11.5555","0.0006","90","","99.171","0.002","90","","1182.22","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 Cl3 O4 -","- C23 H31 Cl3 O4 -","- C46 H62 Cl6 O8 -","2","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","1.54184","CuKα","","0.0291","0.0289","","","0.0763","0.0764","","","","","","1.037","","","","has coordinates","221559","2020-10-21","18:00:00",""
"4128456","10.1102","0.0013","11.1721","0.0013","11.1221","0.0014","90","","115.225","0.003","90","","1136.5","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Cl O4 -","- C12 H13 Cl O4 -","- C48 H52 Cl4 O16 -","4","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","0.71073","MoKα","","0.0613","0.0407","","","0.0949","0.1046","","","","","","1.056","","","","has coordinates","221560","2020-10-21","18:00:00",""
"4128457","7.2288","0.0001","10.311","0.0002","15.9253","0.0003","75.328","0.001","87.251","0.001","72.819","0.001","1096.6","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 Cl3 O4 -","- C21 H29 Cl3 O4 -","- C42 H58 Cl6 O8 -","2","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","0.71073","MoKα","","0.0366","0.032","","","0.0835","0.0867","","","","","","1.067","","","","has coordinates","221561","2020-10-21","18:00:00",""
"4128458","10.7112","0.0013","11.688","0.0014","12.6327","0.0015","89.4701","0.0018","89.1293","0.0019","79.0974","0.0019","1552.8","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H35 Cl2 O8 -","- C33 H35 Cl2 O8 -","- C66 H70 Cl4 O16 -","2","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","0.71073","MoKα","","0.0515","0.0372","","","0.0892","0.0961","","","","","","1.028","","","","has coordinates","221562","2020-10-21","18:00:00",""
"4128459","6.4263","0.0003","12.1889","0.0006","24.4609","0.0013","90","","90","","90","","1916.01","0.17","100","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O2 S -","- C25 H19 N O2 S -","- C100 H76 N4 O8 S4 -","4","1","","Bertuzzi, Giulio; Thøgersen, Mathias Kirk; Giardinetti, Maxime; Vidal-Albalat, Andreu; Simon, Adam; Houk, K. N.; Jørgensen, Karl Anker","Catalytic Enantioselective Hetero-[6+4] and -[6+2] Cycloadditions for the Construction of Condensed Polycyclic Pyrroles, Imidazoles, and Pyrazoles.","Journal of the American Chemical Society","2019","141","7","3288","3297","10.1021/jacs.8b13659","","","0.56086","AgKα","","0.0606","0.046","","","0.0895","0.0973","","","","","","1.0516","","","","has coordinates","221563","2020-10-21","18:00:00",""
"4128460","7.5553","0.0002","13.0406","0.0003","14.8215","0.0003","90","","90","","90","","1460.3","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_4_100","maimone68","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.03","0.0293","","","0.0765","0.0774","","","","","","1.042","","","","has coordinates","221564","2020-10-21","18:00:00",""
"4128461","6.7812","0.0003","11.9069","0.0005","16.4542","0.0007","90","","90","","90","","1328.56","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_4_145_2","maimone69","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.0308","0.0292","","","0.0767","0.0779","","","","","","1.067","","","","has coordinates","221565","2020-10-21","18:00:00",""
"4128462","6.83561","0.00004","15.11333","0.00009","30.94568","0.00018","90","","90","","90","","3196.96","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 Cl3 O5 -","- C33 H47 Cl3 O5 -","- C132 H188 Cl12 O20 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54184","CuKα","","0.0488","0.0483","","","0.1394","0.1398","","","","","","1.056","","","","has coordinates","221566","2020-10-21","18:00:00",""
"4128463","6.2584","0.001","7.9523","0.0013","8.4873","0.0013","62.655","0.007","69.084","0.008","82.665","0.008","350.14","0.1","100","2","100","2","","","","","","","","3","P 1","P 1","1","ZY_072_lit","","","- C15 H22 O5 -","- C15 H22 O5 -","- C15 H22 O5 -","1","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","0.71073","MoKα","","0.0364","0.0348","","","0.0878","0.0887","","","","","","1.028","","","","has coordinates","221567","2020-10-21","18:00:00",""
"4128464","7.42853","0.00007","12.26292","0.00011","16.19471","0.00013","90","","90","","90","","1475.26","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O4 S -","- C15 H23 N O4 S -","- C60 H92 N4 O16 S4 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","x-ray","1.54184","CuKα","","0.0264","0.0263","","","0.07","0.07","","","","","","1.02","","","","has coordinates","221568","2020-10-21","18:00:00",""
"4128465","7.37217","0.00006","9.20606","0.00007","10.02549","0.00008","90","","93.8045","0.0007","90","","678.917","0.009","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O5 -","- C15 H24 O5 -","- C30 H48 O10 -","2","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","x-ray","1.54184","CuKα","","0.0261","0.0261","","","0.0685","0.0685","","","","","","1.076","","","","has coordinates","221569","2020-10-21","18:00:00",""
"4128466","6.2397","0.0004","11.9278","0.0007","9.1162","0.0005","90","","103.411","0.003","90","","659.98","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","KH_3_087_1","maimone58","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.0268","0.0264","","","0.072","0.0724","","","","","","1.065","","","","has coordinates","221570","2020-10-21","18:00:00",""
"4128467","8.0619","0.0008","9.8882","0.001","9.804","0.001","90","","113.579","0.004","90","","716.3","0.13","","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C32 H48 O8 -","2","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","0.71073","MoKα","","0.024","0.0237","","","0.063","0.0633","","","","","","1.1151","","","","has coordinates","221571","2020-10-21","18:00:00",""
"4128468","7.7264","0.0003","11.6672","0.0005","15.5282","0.0006","90","","90","","90","","1399.8","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","KH_2_Cl","maimone46","","- C15 H21 Cl O4 -","- C15 H21 Cl O4 -","- C60 H84 Cl4 O16 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","0.71073","MoKα","","0.0273","0.0256","","","0.0628","0.0639","","","","","","1.064","","","","has coordinates","221572","2020-10-21","18:00:00",""
"4128469","7.0086","0.0006","13.265","0.0014","14.9026","0.0014","90","","90","","90","","1385.5","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_4_256","maimone71","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.0392","0.0358","","","0.0871","0.0903","","","","","","1.064","","","","has coordinates","221573","2020-10-21","18:00:00",""
"4128470","12.8174","0.0005","13.7159","0.0005","16.1653","0.0006","90","","103.093","0.002","90","","2768.02","0.18","100","2","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C120 H176 O32 -","8","4","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.0566","0.0468","","","0.1092","0.1152","","","","","","1.045","","","","has coordinates","221574","2020-10-21","18:00:00",""
"4128471","11.9151","0.0001","11.956","0.0001","12.2289","0.0001","90","","90","","90","","1742.09","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O8 -","- C18 H20 O8 -","- C72 H80 O32 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54184","CuKα","","0.0291","0.029","","","0.0766","0.0767","","","","","","1.048","","","","has coordinates","221575","2020-10-21","18:00:00",""
"4128472","8.7529","0.0002","6.3723","0.0001","11.9743","0.0002","90","","90.872","0.002","90","","667.8","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","x-ray","1.54184","CuKα","","0.0335","0.032","","","0.0816","0.0826","","","","","","1.091","","","","has coordinates","221576","2020-10-21","18:00:00",""
"4128473","8.3883","0.0001","11.5548","0.0001","13.553","0.0001","90","","96.319","0.001","90","","1305.65","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","x-ray","1.54184","CuKα","","0.0286","0.0285","","","0.0745","0.0745","","","","","","1.055","","","","has coordinates","221577","2020-10-21","18:00:00",""
"4128474","8.0851","0.0009","6.8766","0.0007","10.0457","0.0011","90","","109.579","0.008","90","","526.23","0.1","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H11 Cl2 O P -","- C9 H11 Cl2 O P -","- C18 H22 Cl4 O2 P2 -","2","0.5","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0361","0.0281","","","0.0675","0.0705","","","","","","1.067","","","","has coordinates,has disorder","221578","2020-10-21","18:00:00",""
"4128475","7.9568","0.0003","7.0412","0.0003","8.3981","0.0003","90","","98.998","0.002","90","","464.72","0.03","100","2","100.01","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C9 H13 O3 P -","- C9 H13 O3 P -","- C18 H26 O6 P2 -","2","0.5","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0308","0.0282","","","0.0787","0.0804","","","","","","1.045","","","","has coordinates,has disorder","221578","2020-10-21","18:00:00",""
"4128476","8.7802","0.0003","11.2721","0.0004","12.4055","0.0005","114.987","0.002","104.507","0.002","94.529","0.002","1053.23","0.07","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H30 O12 P6 -","- C36 H30 O12 P6 -","- C36 H30 O12 P6 -","1","0.5","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0601","0.0403","","","0.0967","0.1038","","","","","","1.056","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128477","12.8407","0.0002","12.7885","0.0002","37.8214","0.0007","90","","90","","90","","6210.78","0.18","100","2","99.98","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H39 O6 P3 -","- C30 H39 O6 P3 -","- C240 H312 O48 P24 -","8","2","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0642","0.0503","","","0.116","0.1226","","","","","","1.117","","","","has coordinates,has disorder","221578","2020-10-21","18:00:00",""
"4128478","8.4177","0.0006","17.2187","0.0017","9.4319","0.0007","90","","108.594","0.006","90","","1295.72","0.19","100","2","100.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 O6 P3 -","- C27 H33 O6 P3 -","- C54 H66 O12 P6 -","2","1","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0727","0.0464","","","0.0816","0.0902","","","","","","1.007","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128479","11.054","0.0002","24.398","0.0004","13.4029","0.0002","90","","97.424","0.001","90","","3584.4","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H51 O6 P3 -","- C36 H51 O6 P3 -","- C144 H204 O24 P12 -","4","1","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0515","0.0368","","","0.0881","0.0959","","","","","","1.016","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128480","11.9962","0.0003","8.0932","0.0002","14.1305","0.0004","90","","112.876","0.002","90","","1263.99","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N2 O2 P -","- C13 H15 N2 O2 P -","- C52 H60 N8 O8 P4 -","4","1","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.053","0.0358","","","0.0877","0.0967","","","","","","1.025","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128481","7.9289","0.0006","14.1994","0.0013","13.0373","0.001","90","","92.861","0.006","90","","1466","0.2","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N2 O2 P -","- C16 H21 N2 O2 P -","- C64 H84 N8 O8 P4 -","4","1","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","x-ray","0.71073","MoKα","","0.0775","0.0439","","","0.0924","0.1044","","","","","","1.013","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128482","9.6015","0.0003","22.5281","0.0007","14.3198","0.0004","90","","94.418","0.002","90","","3088.22","0.16","100","2","100.05","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H15 B F15 N2 O2 P -","- C31 H15 B F15 N2 O2 P -","- C124 H60 B4 F60 N8 O8 P4 -","4","1","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.098","0.0722","","","0.155","0.1644","","","","","","1.153","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128483","10.3889","0.0004","12.1012","0.0003","18.1909","0.0006","101.198","0.002","101.994","0.003","99.504","0.003","2143.51","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H69 Cl N6 Ni Si2 -","- C37 H69 Cl N6 Ni Si2 -","- C74 H138 Cl2 N12 Ni2 Si4 -","2","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0364","0.0324","","","0.0851","0.0884","","","","","","1.028","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128484","30.1187","0.0003","9.9367","0.0001","30.372","0.0003","90","","100.471","0.001","90","","8938.38","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H69 Cl N5 Ni P Si2 -","- C37 H69 Cl N5 Ni P Si2 -","- C296 H552 Cl8 N40 Ni8 P8 Si16 -","8","2","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0547","0.0386","","","0.0951","0.1057","","","","","","1.021","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128485","30.2685","0.0005","9.9287","0.0002","30.4291","0.0007","90","","101.039","0.002","90","","8975.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H69 As Cl N5 Ni Si2 -","- C37 H69 As Cl N5 Ni Si2 -","- C296 H552 As8 Cl8 N40 Ni8 Si16 -","8","2","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.089","0.0517","","","0.1087","0.1298","","","","","","0.998","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128486","18.5126","0.0004","11.665","0.0002","20.9368","0.0004","90","","113.769","0.002","90","","4137.79","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H68 N6 Ni Si2 -","- C37 H68 N6 Ni Si2 -","- C148 H272 N24 Ni4 Si8 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0456","0.0397","","","0.1049","0.1104","","","","","","1.02","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128487","18.5935","0.0003","18.54","0.0003","24.548","0.0005","90","","90","","90","","8462.3","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H68 N5 Ni P Si2 -","- C37 H68 N5 Ni P Si2 -","- C296 H544 N40 Ni8 P8 Si16 -","8","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0559","0.0381","","","0.0945","0.1053","","","","","","1.015","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128488","12.0277","0.0002","24.3467","0.0004","20.1754","0.0003","90","","93.369","0.001","90","","5897.85","0.16","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57 H88 B N5 Ni O0.5 P Si2 -","- C57 H88 B N5 Ni O0.5 P Si2 -","- C228 H352 B4 N20 Ni4 O2 P4 Si8 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0856","0.0611","","","0.1652","0.1891","","","","","","1.048","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128489","13.2496","0.0012","15.6628","0.0013","19.872","0.002","81.759","0.008","74.827","0.009","66.298","0.009","3641.1","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H116 N8 Ni2 P2 Si4 -","- C63 H116 N8 Ni2 P2 Si4 -","- C126 H232 N16 Ni4 P4 Si8 -","2","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0796","0.0625","","","0.1585","0.1677","","","","","","1.084","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128490","16.0818","0.0005","13.6449","0.0005","27.3122","0.0008","90","","90","","90","","5993.2","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C52 H96 As2 N6 Ni Si4 -","- C52 H96 As2 N6 Ni Si4 -","- C208 H384 As8 N24 Ni4 Si16 -","4","0.5","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.1","0.0715","","","0.1853","0.2146","","","","","","1.051","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128491","12.4971","0.0004","13.6791","0.0004","18.6705","0.0006","75.272","0.003","76.225","0.003","80.498","0.003","2979.43","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H98 As N7 Ni2 O Si2 -","- C52 H98 As N7 Ni2 O Si2 -","- C104 H196 As2 N14 Ni4 O2 Si4 -","2","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0403","0.031","","","0.0757","0.0817","","","","","","1.017","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128492","15.7427","0.0004","18.018","0.0006","20.4069","0.0006","91.496","0.003","102.225","0.002","103.698","0.003","5478.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H90 As Li N7 Ni Si2 -","- C46 H90 As Li N7 Ni Si2 -","- C184 H360 As4 Li4 N28 Ni4 Si8 -","4","2","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0648","0.0434","","","0.1056","0.1194","","","","","","1.013","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128493","10.3572","0.0002","21.8676","0.0003","15.3918","0.0002","90","","93.764","0.001","90","","3478.52","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 B Li N -","- C21 H20 B Li N -","- C168 H160 B8 Li8 N8 -","8","2","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0588","0.0511","","","0.1368","0.1452","","","","","","1.044","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128494","8.612","0.0001","8.612","0.0001","14.7393","0.0002","90","","90","","90","","1093.16","0.02","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H18 As Li N2 -","- C6 H18 As Li N2 -","- C24 H72 As4 Li4 N8 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0382","0.0374","","","0.0961","0.0991","","","","","","1.079","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128495","14.551","0.0002","16.6693","0.0002","26.9463","0.0003","90","","101.511","0.001","90","","6404.5","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H110 N8 Ni Si4 -","- C58 H110 N8 Ni Si4 -","- C232 H440 N32 Ni4 Si16 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.055","0.0469","","","0.1211","0.1281","","","","","","1.036","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128496","12.463","0.007","15.073","0.008","32.221","0.017","90","","90","","90","","6053","6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H53 N O8 P2 Ru -","- C23 H53 N O8 P2 Ru -","- C184 H424 N8 O64 P16 Ru8 -","8","1","","Kar, Sayan; Sen, Raktim; Kothandaraman, Jotheeswari; Goeppert, Alain; Chowdhury, Ryan; Munoz, Socrates B.; Haiges, Ralf; Prakash, G. K. Surya","Mechanistic Insights into Ruthenium-Pincer-Catalyzed Amine-Assisted Homogeneous Hydrogenation of CO<sub>2</sub> to Methanol.","Journal of the American Chemical Society","2019","141","7","3160","3170","10.1021/jacs.8b12763","","","0.71073","MoKα","","0.1084","0.0621","","","0.1214","0.1368","","","","","","1.019","","","","has coordinates","221580","2020-10-21","18:00:00",""
"4128497","8.6522","0.0017","12.368","0.002","16.043","0.003","76.1","0.003","83.249","0.003","79.846","0.003","1635.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Sayan052518","","","- C31 H31 N O5 P2 Ru -","- C31 H31 N O5 P2 Ru -","- C62 H62 N2 O10 P4 Ru2 -","2","1","","Kar, Sayan; Sen, Raktim; Kothandaraman, Jotheeswari; Goeppert, Alain; Chowdhury, Ryan; Munoz, Socrates B.; Haiges, Ralf; Prakash, G. K. Surya","Mechanistic Insights into Ruthenium-Pincer-Catalyzed Amine-Assisted Homogeneous Hydrogenation of CO<sub>2</sub> to Methanol.","Journal of the American Chemical Society","2019","141","7","3160","3170","10.1021/jacs.8b12763","","","0.71073","MoKα","","0.055","0.0488","","","0.1483","0.1542","","","","","","1.091","","","","has coordinates,has disorder","221581","2020-10-21","18:00:00",""
"4128498","22.4623","0.0012","11.2375","0.0006","11.9368","0.0007","90","","90","","90","","3013.1","0.3","100","1","100","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C144 H152 N8 O24 -","8","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","x-ray","0.71073","MoKα","","0.0624","0.0421","","","0.1053","0.1127","","","","","","1.04","","","","has coordinates","221582","2020-10-21","18:00:00",""
"4128499","10.1411","0.001","11.0449","0.0012","22.463","0.002","97.093","0.004","96.892","0.004","116.882","0.003","2182.6","0.4","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 N2 O5 S -","- C23 H28 N2 O5 S -","- C92 H112 N8 O20 S4 -","4","2","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","x-ray","0.71073","MoKα","","0.0573","0.038","","","0.09","0.0959","","","","","","1.036","","","","has coordinates","221583","2020-10-21","18:00:00",""
"4128500","15.1003","0.001","8.7723","0.0006","8.7236","0.0005","90","","90","","90","","1155.57","0.13","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","","0.71073","MoKα","","0.0742","0.0515","","","0.1279","0.1369","","","","","","1.051","","","","has coordinates","221585","2020-10-21","18:00:00",""
"4128501","15.6062","0.0016","9.7091","0.001","17.6166","0.0016","90","","105.033","0.003","90","","2578","0.4","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl2 N7 O -","- C28 H25 Cl2 N7 O -","- C112 H100 Cl8 N28 O4 -","4","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","","0.71073","MoKα","","0.1474","0.0627","","","0.099","0.1185","","","","","","1.039","","","","has coordinates","221586","2020-10-21","18:00:00",""
"4128502","8.4325","0.0007","13.319","0.0011","16.3809","0.0013","90","","99.593","0.003","90","","1814.1","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Br N O3 S -","- C20 H20 Br N O3 S -","- C80 H80 Br4 N4 O12 S4 -","4","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","x-ray","0.71073","MoKα","","0.0584","0.0412","","","0.0866","0.0929","","","","","","1.028","","","","has coordinates","221587","2020-10-21","18:00:00",""
"4128503","7.8984","0.0007","10.0654","0.0008","11.7138","0.001","78.839","0.002","74.149","0.002","83.65","0.003","877.25","0.13","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N3 O2 S -","- C19 H23 N3 O2 S -","- C38 H46 N6 O4 S2 -","2","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","","0.71073","MoKα","","0.0367","0.0306","","","0.0848","0.088","","","","","","1.018","","","","has coordinates","221588","2020-10-21","18:00:00",""
"4128504","8.4671","0.0002","11.6731","0.0003","16.0818","0.0004","90","","100.441","0.002","90","","1563.16","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 F N -","- C19 H22 F N -","- C76 H88 F4 N4 -","4","2","","Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique","Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines.","Journal of the American Chemical Society","2019","141","7","2878","2883","10.1021/jacs.8b12568","","","1.54184","CuKα","","0.0386","0.0344","","0.0853","0.0803","0.0853","","","","","","0.9985","","","","has coordinates","221589","2020-10-21","18:00:00",""
"4128505","13.4967","0.0007","18.0291","0.0007","15.8187","0.0006","90","","107.072","0.005","90","","3679.6","0.3","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl F N O2 -","- C19 H27 Cl F N O2 -","- C152 H216 Cl8 F8 N8 O16 -","8","4","","Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique","Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines.","Journal of the American Chemical Society","2019","141","7","2878","2883","10.1021/jacs.8b12568","","","1.54184","CuKα","","0.0891","0.0713","","0.2031","0.1709","0.2031","","","","","","1.0105","","","","has coordinates,has disorder","221589","2020-10-21","18:00:00",""
"4128506","8.8499","0.0006","17.9444","0.0008","12.0116","0.0007","90","","99.75","0.007","90","","1879.96","0.19","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl F N O2 -","- C19 H27 Cl F N O2 -","- C76 H108 Cl4 F4 N4 O8 -","4","2","","Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique","Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines.","Journal of the American Chemical Society","2019","141","7","2878","2883","10.1021/jacs.8b12568","","","0.71073","MoKα","","0.1485","0.0667","","0.2098","0.1461","0.158","","","","","","1.0004","","","","has coordinates,has disorder","221589","2020-10-21","18:00:00",""
"4128507","13.4572","0.001","17.9878","0.0008","15.8501","0.0009","90","","107.078","0.007","90","","3667.6","0.4","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl F N O2 -","- C19 H27 Cl F N O2 -","- C152 H216 Cl8 F8 N8 O16 -","8","4","","Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique","Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines.","Journal of the American Chemical Society","2019","141","7","2878","2883","10.1021/jacs.8b12568","","","0.71073","MoKα","","0.1438","0.0896","","0.2302","0.1814","0.2302","","","","","","1.0244","","","","has coordinates,has disorder","221589","2020-10-21","18:00:00",""
"4128508","12.538","0.003","18.879","0.004","19.6252","0.0019","91.044","0.001","105.987","0.003","106.771","0.002","4251.6","1.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H25 Cl4 N9 O9 -","- C44 H25 Cl4 N9 O9 -","- C176 H100 Cl16 N36 O36 -","4","2","","Ma, Jian-Xin; Li, Jian; Chen, Yi-Fan; Ning, Rui; Ao, Yu-Fei; Liu, Jun-Min; Sun, Junliang; Wang, De-Xian; Wang, Qi-Qiang","Cage Based Crystalline Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","9","3843","3848","10.1021/jacs.9b00665","","","0.710747","MoKα","","0.1198","0.1015","","","0.2168","0.2294","","","","","","1.144","","","","has coordinates","221590","2020-10-21","18:00:00",""
"4128509","13.9724","0.0007","29.8124","0.0009","16.4699","0.0009","90","","108.05","0.006","90","","6522.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H62 N12 O7 -","- C78 H62 N12 O7 -","- C312 H248 N48 O28 -","4","1","","Ma, Jian-Xin; Li, Jian; Chen, Yi-Fan; Ning, Rui; Ao, Yu-Fei; Liu, Jun-Min; Sun, Junliang; Wang, De-Xian; Wang, Qi-Qiang","Cage Based Crystalline Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","9","3843","3848","10.1021/jacs.9b00665","","","0.71073","MoKα","","0.1556","0.0823","","","0.1988","0.2385","","","","","","1.007","","","","has coordinates,has disorder","221591","2020-10-21","18:00:00",""
"4128510","18.4511","0.0008","7.8907","0.0002","13.3139","0.0004","90","","108.175","0.004","90","","1841.69","0.12","294.8","0.3","294.8","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C88 H104 O8 -","- C88 H104 O8 -","- C88 H104 O8 -","1","0.25","","Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Catalytic Cross-Coupling of Secondary Alcohols.","Journal of the American Chemical Society","2019","141","9","3822","3827","10.1021/jacs.9b00025","","x-ray","1.54184","CuKα","","0.1686","0.1433","","","0.3234","0.3537","","","","","","1.439","","","","has coordinates","221592","2020-10-21","18:00:00",""
"4128511","29.62","0.004","29.62","0.004","29.14","0.004","90","","90","","90","","25566","6","100","2","100","2","","","","","","","","4","P 4/m","-P 4","83","","","","- C304 N12 O108 Rh24 -","- C304 N12 O108 Rh24 -","- C608 N24 O216 Rh48 -","2","0.25","","Carné-Sánchez, Arnau; Albalad, Jorge; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Larpent, Patrick; Furukawa, Shuhei; Maspoch, Daniel","Postsynthetic Covalent and Coordination Functionalization of Rhodium(II)-Based Metal-Organic Polyhedra.","Journal of the American Chemical Society","2019","141","9","4094","4102","10.1021/jacs.8b13593","","","0.70192","synchrotron","","0.153","0.1207","","","0.3559","0.3779","","","","","","1.406","","","","has coordinates","221593","2020-10-21","18:00:00",""
"4128512","31.08","0.005","31.08","0.005","31.25","0.005","90","","90","","90","","30186","8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C272 H252 N20 O152 Rh24 -","- C272 H252 N20 O152 Rh24 -","- C544 H504 N40 O304 Rh48 -","2","0.125","","Carné-Sánchez, Arnau; Albalad, Jorge; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Larpent, Patrick; Furukawa, Shuhei; Maspoch, Daniel","Postsynthetic Covalent and Coordination Functionalization of Rhodium(II)-Based Metal-Organic Polyhedra.","Journal of the American Chemical Society","2019","141","9","4094","4102","10.1021/jacs.8b13593","","","0.70192","synchrotron","","0.0934","0.0901","","","0.2606","0.2704","","","","","","1.247","","","","has coordinates","221594","2020-10-21","18:00:00",""
"4128513","27.48","0.004","27.48","0.004","27.48","0.004","90","","90","","90","","20752","5","100","2","100","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C192 H96 O121 Rh24 -","- C192 H96 O121 Rh24 -","- C384 H192 O242 Rh48 -","2","0.0208333","","Carné-Sánchez, Arnau; Albalad, Jorge; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Larpent, Patrick; Furukawa, Shuhei; Maspoch, Daniel","Postsynthetic Covalent and Coordination Functionalization of Rhodium(II)-Based Metal-Organic Polyhedra.","Journal of the American Chemical Society","2019","141","9","4094","4102","10.1021/jacs.8b13593","","","0.82656","synchrotron","","0.101","0.0989","","","0.3209","0.3305","","","","","","1.7","","","","has coordinates","221595","2020-10-21","18:00:00",""
"4128514","31.272","0.004","31.272","0.004","31.272","0.004","90","","90","","90","","30582","7","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C60 H60 Cu17 N60 O12 -","- C60 H60 Cu17 N60 O12 -","- C480 H480 Cu136 N480 O96 -","8","0.0833333","","Li, Jia; Jiang, Lianyan; Chen, Sheng; Kirchon, Angelo; Li, Bao; Li, Yanshuo; Zhou, Hong-Cai","Metal-Organic Framework Containing Planar Metal-Binding Sites: Efficiently and Cost-Effectively Enhancing the Kinetic Separation of C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub>.","Journal of the American Chemical Society","2019","141","9","3807","3811","10.1021/jacs.8b13463","","","0.71073","MoKα","","0.0735","0.0622","","","0.183","0.1953","","","","","","1.183","","","","has coordinates","221596","2020-10-21","18:00:00",""
"4128515","5.41264","0.00014","5.942","0.00014","26.9046","0.0006","90","","90","","90","","865.3","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O -","- C11 H11 N O -","- C44 H44 N4 O4 -","4","1","","Xing, Qi; Chan, Chun-Ming; Yeung, Yiu-Wai; Yu, Wing-Yiu","Ruthenium(II)-Catalyzed Enantioselective γ-Lactams Formation by Intramolecular C-H Amidation of 1,4,2-Dioxazol-5-ones.","Journal of the American Chemical Society","2019","141","9","3849","3853","10.1021/jacs.9b00535","","x-ray","1.54184","CuKα","","0.036","0.0358","","","0.0928","0.093","","","","","","1.068","","","","has coordinates","221597","2020-10-21","18:00:00",""
"4128516","8.3615","0.0002","19.6695","0.0005","21.2939","0.0005","90","","90","","90","","3502.13","0.15","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C160 H240 O24 -","8","2","","Dong, Liao-Bin; Zhang, Xiao; Rudolf, Jeffrey D.; Deng, Ming-Rong; Kalkreuter, Edward; Cepeda, Alexis J.; Renata, Hans; Shen, Ben","Cryptic and Stereospecific Hydroxylation, Oxidation, and Reduction in Platensimycin and Platencin Biosynthesis.","Journal of the American Chemical Society","2019","141","9","4043","4050","10.1021/jacs.8b13452","","","0.71073","MoKα","","0.0449","0.0391","","","0.1001","0.1054","","","","","","1.051","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4128517","11.2006","0.0001","11.2006","0.0001","25.1011","0.0004","90","","90","","120","","2727.13","0.06","296","2","296.15","","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C120 H180 O24 -","6","1","","Dong, Liao-Bin; Zhang, Xiao; Rudolf, Jeffrey D.; Deng, Ming-Rong; Kalkreuter, Edward; Cepeda, Alexis J.; Renata, Hans; Shen, Ben","Cryptic and Stereospecific Hydroxylation, Oxidation, and Reduction in Platensimycin and Platencin Biosynthesis.","Journal of the American Chemical Society","2019","141","9","4043","4050","10.1021/jacs.8b13452","","","0.71073","MoKα","","0.05","0.0413","","","0.1221","0.133","","","","","","1.0239","","","","has coordinates","221599","2020-10-21","18:00:00",""
"4128518","7.2283","0.0002","11.3241","0.0003","10.6872","0.0003","90","","92.941","0.001","90","","873.64","0.04","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Dong, Liao-Bin; Zhang, Xiao; Rudolf, Jeffrey D.; Deng, Ming-Rong; Kalkreuter, Edward; Cepeda, Alexis J.; Renata, Hans; Shen, Ben","Cryptic and Stereospecific Hydroxylation, Oxidation, and Reduction in Platensimycin and Platencin Biosynthesis.","Journal of the American Chemical Society","2019","141","9","4043","4050","10.1021/jacs.8b13452","","","0.71073","MoKα","","0.0436","0.039","","","0.1074","0.1123","","","","","","1.1397","","","","has coordinates","221600","2020-10-21","18:00:00",""
"4128519","45.589","0.005","28.5973","0.0009","54.689","0.004","90","","121.371","0.013","90","","60876","12","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C262 H220 B9 Cl F36 N31 Ni5 -","- C262 H220 B9 Cl F36 N31 Ni5 -","- C2096 H1760 B72 Cl8 F288 N248 Ni40 -","8","1","","Zhang, Liang; Stephens, Alexander J.; Lemonnier, Jean-François; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Robinson, Christopher J.; Leigh, David A.","Coordination Chemistry of a Molecular Pentafoil Knot.","Journal of the American Chemical Society","2019","141","9","3952","3958","10.1021/jacs.8b12548","","x-ray","0.6889","","","0.2019","0.1512","","","0.4219","0.4739","","","","","","1.682","","","","has coordinates,has disorder","221601","2020-10-21","18:00:00",""
"4128520","46.5552","0.0019","25.4416","0.001","54.939","0.003","90","","108.29","0.005","90","","61784","5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C260 H220 B9 Cl F36 N30 Zn5 -","- C260 H120 B7 Cl F28 N30 Zn5 -","- C2080 H960 B56 Cl8 F224 N240 Zn40 -","8","2","","Zhang, Liang; Stephens, Alexander J.; Lemonnier, Jean-François; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Robinson, Christopher J.; Leigh, David A.","Coordination Chemistry of a Molecular Pentafoil Knot.","Journal of the American Chemical Society","2019","141","9","3952","3958","10.1021/jacs.8b12548","","x-ray","0.6889","","","0.2457","0.2063","","","0.523","0.5535","","","","","","2.237","","","","has coordinates,has disorder","221602","2020-10-21","18:00:00",""
"4128521","22.1116","0.0017","28.081","0.002","28.5729","0.0017","61.443","0.007","87.521","0.006","67.458","0.007","14176","2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C275 H237 B9 Cl Co5 F36 N34 -","- C275 H237 B9 Cl Co5 F36 N34 -","- C550 H474 B18 Cl2 Co10 F72 N68 -","2","1","","Zhang, Liang; Stephens, Alexander J.; Lemonnier, Jean-François; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Robinson, Christopher J.; Leigh, David A.","Coordination Chemistry of a Molecular Pentafoil Knot.","Journal of the American Chemical Society","2019","141","9","3952","3958","10.1021/jacs.8b12548","","x-ray","0.6889","","","0.182","0.1195","","","0.3161","0.3584","","","","","","1.133","","","","has coordinates,has disorder","221603","2020-10-21","18:00:00",""
"4128522","13.857","0.003","10.761","0.003","27.29","0.006","90","","98.089","0.008","90","","4028.9","1.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H52 Au Cl F3 N P -","- C43 H52 Au Cl F3 N P -","- C172 H208 Au4 Cl4 F12 N4 P4 -","4","2","","Cheng, Xinpeng; Wang, Zhixun; Quintanilla, Carlos D.; Zhang, Liming","Chiral Bifunctional Phosphine Ligand Enabling Gold-Catalyzed Asymmetric Isomerization of Alkyne to Allene and Asymmetric Synthesis of 2,5-Dihydrofuran.","Journal of the American Chemical Society","2019","141","9","3787","3791","10.1021/jacs.8b12833","","","0.71073","MoKα","","0.0718","0.0542","","","0.0861","0.0913","","","","","","1.054","","","","has coordinates","221604","2020-10-21","18:00:00",""
"4128523","12.81","0.009","10.578","0.006","14.298","0.01","90","","99.99","0.02","90","","1908","2","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H55 Au Cl F3 N P -","- C43 H55 Au Cl F3 N P -","- C86 H110 Au2 Cl2 F6 N2 P2 -","2","1","","Cheng, Xinpeng; Wang, Zhixun; Quintanilla, Carlos D.; Zhang, Liming","Chiral Bifunctional Phosphine Ligand Enabling Gold-Catalyzed Asymmetric Isomerization of Alkyne to Allene and Asymmetric Synthesis of 2,5-Dihydrofuran.","Journal of the American Chemical Society","2019","141","9","3787","3791","10.1021/jacs.8b12833","","","0.71073","MoKα","","0.1175","0.0667","","","0.1249","0.1506","","","","","","1.038","","","","has coordinates","221605","2020-10-21","18:00:00",""
"4128524","8.0135","0.0002","8.0135","0.0002","13.1776","0.0003","90","","90","","120","","732.84","0.03","301","2","301","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs2 F16 Mn U3 -","- Cs2 F16 Mn U3 -","- Cs4 F32 Mn2 U6 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.012","0.012","","","0.0277","0.0277","","","","","","1.022","","","","has coordinates","221606","2020-10-21","18:00:00",""
"4128525","7.9849","0.0002","7.9849","0.0002","12.9721","0.0003","90","","90","","120","","716.28","0.03","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs2 F16 U3 Zn -","- Cs2 F16 U3 Zn -","- Cs4 F32 U6 Zn2 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.0112","0.0112","","","0.0251","0.0251","","","","","","1.005","","","","has coordinates","221607","2020-10-21","18:00:00",""
"4128526","7.9778","0.0005","7.9778","0.0005","12.9039","0.001","90","","90","","120","","711.24","0.08","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs2 F16 Ni U3 -","- Cs2 F16 Ni U3 -","- Cs4 F32 Ni2 U6 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.0145","0.0145","","","0.0322","0.0322","","","","","","1.04","","","","has coordinates","221608","2020-10-21","18:00:00",""
"4128527","7.9891","0.0001","7.9891","0.0001","13.006","0.0002","90","","90","","120","","718.903","0.017","301","2","301","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Co Cs2 F16 U3 -","- Co Cs2 F16 U3 -","- Co2 Cs4 F32 U6 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.0116","0.0116","","","0.0261","0.0261","","","","","","1.073","","","","has coordinates","221609","2020-10-21","18:00:00",""
"4128528","7.9753","0.0002","7.9753","0.0002","12.8826","0.0003","90","","90","","120","","709.62","0.03","301","2","301","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs2 F16 Mg U3 -","- Cs2 F16 Mg U3 -","- Cs4 F32 Mg2 U6 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.0091","0.0091","","","0.0209","0.0209","","","","","","1","","","","has coordinates","221610","2020-10-21","18:00:00",""
"4128529","10.0758","0.0004","15.6498","0.0006","16.5383","0.0006","75.2367","0.0014","87.6486","0.0014","87.6424","0.0015","2518.34","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 F3 Ir N -","- C30 H27 F3 Ir N -","- C120 H108 F12 Ir4 N4 -","4","2","","Kim, Jinwoo; Shin, Kwangmin; Jin, Seongho; Kim, Dongwook; Chang, Sukbok","Oxidatively Induced Reductive Elimination: Exploring the Scope and Catalyst Systems with Ir, Rh, and Ru Complexes.","Journal of the American Chemical Society","2019","141","9","4137","4146","10.1021/jacs.9b00364","","","0.71073","MoKα","","0.0253","0.0198","","","0.0486","0.0516","","","","","","1.141","","","","has coordinates,has disorder","221611","2020-10-21","18:00:00",""
"4128530","7.7219","0.0009","15.438","0.0018","16.476","0.002","90","","90","","90","","1964.1","0.4","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H26 N Rh -","- C24 H26 N Rh -","- C96 H104 N4 Rh4 -","4","0.5","","Kim, Jinwoo; Shin, Kwangmin; Jin, Seongho; Kim, Dongwook; Chang, Sukbok","Oxidatively Induced Reductive Elimination: Exploring the Scope and Catalyst Systems with Ir, Rh, and Ru Complexes.","Journal of the American Chemical Society","2019","141","9","4137","4146","10.1021/jacs.9b00364","","","0.71073","MoKα","","0.122","0.0551","","","0.1169","0.1378","","","","","","1.038","","","","has coordinates,has disorder","221612","2020-10-21","18:00:00",""
"4128531","11.4269","0.001","13.8051","0.0013","15.1312","0.0014","90","","90.052","0.003","90","","2386.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 F3 N Ru -","- C30 H26 F3 N Ru -","- C120 H104 F12 N4 Ru4 -","4","1","","Kim, Jinwoo; Shin, Kwangmin; Jin, Seongho; Kim, Dongwook; Chang, Sukbok","Oxidatively Induced Reductive Elimination: Exploring the Scope and Catalyst Systems with Ir, Rh, and Ru Complexes.","Journal of the American Chemical Society","2019","141","9","4137","4146","10.1021/jacs.9b00364","","","0.71073","MoKα","","0.0557","0.0328","","","0.0637","0.0716","","","","","","1.039","","","","has coordinates","221613","2020-10-21","18:00:00",""
"4128532","10.0608","0.0004","15.6796","0.0006","16.4999","0.0006","75.5893","0.0013","87.1754","0.0014","87.4635","0.0014","2516.51","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 F3 N Rh -","- C30 H27 F3 N Rh -","- C120 H108 F12 N4 Rh4 -","4","2","","Kim, Jinwoo; Shin, Kwangmin; Jin, Seongho; Kim, Dongwook; Chang, Sukbok","Oxidatively Induced Reductive Elimination: Exploring the Scope and Catalyst Systems with Ir, Rh, and Ru Complexes.","Journal of the American Chemical Society","2019","141","9","4137","4146","10.1021/jacs.9b00364","","","0.71073","MoKα","","0.0487","0.0303","","","0.0664","0.0731","","","","","","1.026","","","","has coordinates,has disorder","221614","2020-10-21","18:00:00",""
"4128533","27.7435","0.0013","4.9525","0.0002","8.2103","0.0004","90","","91.246","0.004","90","","1127.83","0.09","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- H4 Li2 N Na O8 S2 -","- H4 Li2 N Na O8 S2 -","- H24 Li12 N6 Na6 O48 S12 -","6","1.5","","Li, Yanqiang; Liang, Fei; Zhao, Sangen; Li, Lina; Wu, Zhenyue; Ding, Qingran; Liu, Shuai; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Two Non-π-Conjugated Deep-UV Nonlinear Optical Sulfates.","Journal of the American Chemical Society","2019","141","9","3833","3837","10.1021/jacs.9b00138","","","0.71073","MoKα","","0.023","0.0224","","","0.0566","0.0571","","","","","","1.063","","","","has coordinates","221615","2020-10-21","18:00:00",""
"4128534","12.1271","0.0006","12.1271","0.0006","4.8365","0.0002","90","","90","","120","","615.99","0.05","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- H8 Li9 N2 Na3 O28 S7 -","- H8 Li9 N2 Na3 O28 S7 -","- H8 Li9 N2 Na3 O28 S7 -","1","0.166667","","Li, Yanqiang; Liang, Fei; Zhao, Sangen; Li, Lina; Wu, Zhenyue; Ding, Qingran; Liu, Shuai; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Two Non-π-Conjugated Deep-UV Nonlinear Optical Sulfates.","Journal of the American Chemical Society","2019","141","9","3833","3837","10.1021/jacs.9b00138","","","0.71073","MoKα","","0.0373","0.0347","","","0.0858","0.0874","","","","","","1.109","","","","has coordinates","221616","2020-10-21","18:00:00",""
"4128535","17.825","0.0003","8.2502","0.0001","20.6233","0.0004","90","","108.527","0.008","90","","2875.68","0.16","30","","30","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H44 N10 O11 -","- C17 H44 N10 O11 -","- C68 H176 N40 O44 -","4","1","","Shi, Ming W.; Thomas, Sajesh P.; Hathwar, Venkatesha R.; Edwards, Alison J.; Piltz, Ross O.; Jayatilaka, Dylan; Koutsantonis, George A.; Overgaard, Jacob; Nishibori, Eiji; Iversen, Bo B.; Spackman, Mark A.","Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host-Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis.","Journal of the American Chemical Society","2019","141","9","3965","3976","10.1021/jacs.8b12927","","neutron","0.85","neutron","","0.0949","0.0572","","0.0533","0.0379","0.0371","","","","","","0.9312","","","","has coordinates","221617","2020-10-21","18:00:00",""
"4128536","17.825","0.0003","8.2502","0.0001","20.6233","0.0004","90","","108.527","0.008","90","","2875.68","0.16","30","2","30","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","18-crown-6 pentakis(urea)","1,4,7,10,13,16-Hexaoxacyclo-octadecane pentakis(urea) clathrate","","- C17 H44 N10 O11 -","- C17 H44 N10 O11 -","- C68 H176 N40 O44 -","4","1","","Shi, Ming W.; Thomas, Sajesh P.; Hathwar, Venkatesha R.; Edwards, Alison J.; Piltz, Ross O.; Jayatilaka, Dylan; Koutsantonis, George A.; Overgaard, Jacob; Nishibori, Eiji; Iversen, Bo B.; Spackman, Mark A.","Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host-Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis.","Journal of the American Chemical Society","2019","141","9","3965","3976","10.1021/jacs.8b12927","","synchrotron","0.24783","Synchrotron,monochromatic","","0.028","0.014","","","","0.036","0.019","","","","","0.997","","","","has coordinates","221617","2020-10-21","18:00:00",""
"4128537","39.75","0.002","8.2718","0.0004","8.2733","0.0005","90","","90","","90","","2720.3","0.3","360","2","360","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H24 Br7 Cs N2 Pb2 -","- C8 H24 Br7 Cs N2 Pb2 -","- C32 H96 Br28 Cs4 N8 Pb8 -","4","0.25","","Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Peng, Yu; Tao, Kewen; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Discovery of an Above-Room-Temperature Antiferroelectric in Two-Dimensional Hybrid Perovskite.","Journal of the American Chemical Society","2019","141","9","3812","3816","10.1021/jacs.8b13827","","","0.71073","MoKα","","0.0855","0.0453","","","0.0995","0.1196","","","","","","1.025","","","","has coordinates","221618","2020-10-21","18:00:00",""
"4128538","39.342","0.008","8.2081","0.0016","8.3092","0.0017","90","","90","","90","","2683.2","0.9","293","2","293","2","","","","","","","","6","P m n b","-P 2bc 2a","62","","","","- C8 H24 Br7 Cs N2 Pb2 -","- C8 H24 Br7 Cs N2 Pb2 -","- C32 H96 Br28 Cs4 N8 Pb8 -","4","0.5","","Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Peng, Yu; Tao, Kewen; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Discovery of an Above-Room-Temperature Antiferroelectric in Two-Dimensional Hybrid Perovskite.","Journal of the American Chemical Society","2019","141","9","3812","3816","10.1021/jacs.8b13827","","","0.71073","MoKα","","0.0669","0.0368","","","0.0762","0.0906","","","","","","1.004","","","","has coordinates","221619","2020-10-21","18:00:00",""
"4128539","17.1853","0.00023","17.1853","","20.4819","0.0004","90","","90","","90","","6049.01","0.14","298","","298","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H16 Fe2 N S4 -","- C10 H16 Fe2 N S4 -","- C160 H256 Fe32 N16 S64 -","16","1","","Horwitz, Noah E.; Xie, Jiaze; Filatov, Alexander S.; Papoular, Robert J.; Shepard, William E.; Zee, David Z.; Grahn, Mia P.; Gilder, Chloe; Anderson, John S.","Redox-Active 1D Coordination Polymers of Iron-Sulfur Clusters.","Journal of the American Chemical Society","2019","141","9","3940","3951","10.1021/jacs.8b12339","powder diffraction","x-ray","0.412748","synchrotron","","","","","","","","0.04894","","2.02","","","","","","","has coordinates","221620","2020-10-21","18:00:00",""
"4128540","11.92662","0.00028","11.92662","","19.8484","0.0005","90","","90","","90","","2823.32","0.1","298","","298","","","","","","","","","5","P 42 c m","P 4c -2c","101","","","","- C22 H40 Fe2 N S4 -","- C22 H40 Fe2 N S4 -","- C88 H160 Fe8 N4 S16 -","4","0.5","","Horwitz, Noah E.; Xie, Jiaze; Filatov, Alexander S.; Papoular, Robert J.; Shepard, William E.; Zee, David Z.; Grahn, Mia P.; Gilder, Chloe; Anderson, John S.","Redox-Active 1D Coordination Polymers of Iron-Sulfur Clusters.","Journal of the American Chemical Society","2019","141","9","3940","3951","10.1021/jacs.8b12339","powder diffraction","x-ray","0.412748","synchrotron","","","","","","","","0.26224","","2.79","","","","","","","has coordinates","221621","2020-10-21","18:00:00",""
"4128541","9.093","0.002","19.7","0.005","21.859","0.005","90","","90","","90","","3915.6","1.6","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H28 Cl6 O6 -","- C45 H28 Cl6 O6 -","- C180 H112 Cl24 O24 -","4","1","","Takaishi, Kazuto; Hinoide, Sakiko; Matsumoto, Tomoki; Ema, Tadashi","Axially Chiral <i>peri</i>-Xanthenoxanthenes as a Circularly Polarized Luminophore.","Journal of the American Chemical Society","2019","141","30","11852","11857","10.1021/jacs.9b06240","","","0.71075","MoKα","","0.07","0.0597","","","0.148","0.1568","","","","","","1.04","","","","has coordinates","221622","2020-10-21","18:00:00",""
"4128542","8.2394","0.0004","28.4962","0.0012","12.2667","0.0005","90","","90.028","0.006","90","","2880.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H22 O6 -","- C42 H22 O6 -","- C168 H88 O24 -","4","2","","Takaishi, Kazuto; Hinoide, Sakiko; Matsumoto, Tomoki; Ema, Tadashi","Axially Chiral <i>peri</i>-Xanthenoxanthenes as a Circularly Polarized Luminophore.","Journal of the American Chemical Society","2019","141","30","11852","11857","10.1021/jacs.9b06240","","","1.54187","CuKα","","0.041","0.0348","","","0.0785","0.0817","","","","","","1.011","","","","has coordinates","221623","2020-10-21","18:00:00",""
"4128543","8.331","0.0014","11.358","0.0019","12.437","0.002","95.499","0.005","103.944","0.005","90.227","0.005","1136.5","0.3","206","2","206","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cl2 O4 S -","- C24 H20 Cl2 O4 S -","- C48 H40 Cl4 O8 S2 -","2","1","","Meng, Lingkui; Wu, Peng; Fang, Jing; Xiao, Ying; Xiao, Xiong; Tu, Guangsheng; Ma, Xiang; Teng, Shuang; Zeng, Jing; Wan, Qian","Glycosylation Enabled by Successive Rhodium(II) and Brønsted Acid Catalysis.","Journal of the American Chemical Society","2019","141","30","11775","11780","10.1021/jacs.9b04619","","","1.54178","cukα","","0.1173","0.0436","","","0.1251","0.1637","","","","","","1.264","","","","has coordinates","221624","2020-10-21","18:00:00",""
"4128544","43.026","0.0004","43.026","0.0004","43.026","0.0004","90","","90","","90","","79651.3","1.3","120","2","120","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C143.99 H119.99 Cl6 N12 O40 Zr12 -","- C144 H120 Cl6 N12 O40 Zr12 -","- C1152 H960 Cl48 N96 O320 Zr96 -","8","0.0416667","","Liu, Jinjin; Duan, Wenjie; Song, Jie; Guo, Xiuxiu; Wang, Zhifang; Shi, Xinlei; Liang, Jiajie; Wang, Juan; Cheng, Peng; Chen, Yao; Zaworotko, Michael J.; Zhang, Zhenjie","Self-Healing Hyper-Cross-Linked Metal-Organic Polyhedra (HCMOPs) Membranes with Antimicrobial Activity and Highly Selective Separation Properties.","Journal of the American Chemical Society","2019","141","30","12064","12070","10.1021/jacs.9b05155","","","0.71073","MoKα","","0.1128","0.085","","","0.2644","0.281","","","","","","1.084","","","","has coordinates,has disorder","221625","2020-10-21","18:00:00",""
"4128545","10.8558","0.0004","13.0976","0.0005","19.9752","0.0007","72.7024","0.0018","89.0943","0.0018","68.2116","0.0017","2503.64","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H66 B2 Fe2 N8 -","- C52 H66 B2 Fe2 N8 -","- C104 H132 B4 Fe4 N16 -","2","1","","Hickey, Anne K.; Greer, Samuel M.; Valdez-Moreira, Juan A; Lutz, Sean A.; Pink, Maren; DeGayner, Jordan A.; Harris, T. David; Hill, Stephen; Telser, Joshua; Smith, Jeremy M.","A Dimeric Hydride-Bridged Complex with Geometrically Distinct Iron Centers Giving Rise to an <i>S</i> = 3 Ground State.","Journal of the American Chemical Society","2019","141","30","11970","11975","10.1021/jacs.9b04389","","","0.71073","MoKα","","0.0713","0.0412","","","0.0857","0.0942","","","","","","1.035","","","","has coordinates","221626","2020-10-21","18:00:00",""
"4128546","6.7306","0.0003","9.662","0.0005","16.8578","0.0008","95.475","0.002","98.967","0.002","106.855","0.002","1024.84","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H28 B F3 O2 -","- C21 H28 B F3.003 O2 -","- C42 H56 B2 F6.006 O4 -","2","2","","Sun, Yu; Zhou, Yuebiao; Shi, Ying; Del Pozo, Juan; Torker, Sebastian; Hoveyda, Amir H.","Copper-Hydride-Catalyzed Enantioselective Processes with Allenyl Boronates. Mechanistic Nuances, Scope, and Utility in Target-Oriented Synthesis.","Journal of the American Chemical Society","2019","141","30","12087","12099","10.1021/jacs.9b05465","","","1.54178","CuKα","","0.0475","0.0468","","","0.13","0.1308","","","","","","1.037","","","","has coordinates,has disorder","221627","2020-10-21","18:00:00",""
"4128547","10.458","0.002","25.05","0.005","15.77","0.003","90","0.03","107.96","0.03","90","0.03","3930","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H57 B Cu N2 O2.5 -","- C38 H57 B Cu N2 O2.5 -","- C152 H228 B4 Cu4 N8 O10 -","4","1","","Sun, Yu; Zhou, Yuebiao; Shi, Ying; Del Pozo, Juan; Torker, Sebastian; Hoveyda, Amir H.","Copper-Hydride-Catalyzed Enantioselective Processes with Allenyl Boronates. Mechanistic Nuances, Scope, and Utility in Target-Oriented Synthesis.","Journal of the American Chemical Society","2019","141","30","12087","12099","10.1021/jacs.9b05465","","","1.54178","CuKα","","0.0517","0.0482","","","0.1424","0.1455","","","","","","1.081","","","","has coordinates,has disorder","221628","2020-10-21","18:00:00",""
"4128548","7.2268","0.0011","33.721","0.005","9.7279","0.0015","90","","96.327","0.003","90","","2356.2","0.6","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 Ni O2 S -","- C28 H25 N3 Ni O2 S -","- C112 H100 N12 Ni4 O8 S4 -","4","1","","Ravn, Anne K.; Vilstrup, Maria B. T.; Noerby, Peter; Nielsen, Dennis U.; Daasbjerg, Kim; Skrydstrup, Troels","Carbon Isotope Labeling Strategy for β-Amino Acid Derivatives via Carbonylation of Azanickellacycles.","Journal of the American Chemical Society","2019","141","30","11821","11826","10.1021/jacs.9b05934","","","0.56086","AgKα","","0.0489","0.0389","","","0.0892","0.0942","","","","","","1.091","","","","has coordinates","221629","2020-10-21","18:00:00",""
"4128549","10.6334","0.0008","10.7865","0.0008","11.1203","0.0008","84.176","0.003","83.985","0.003","71.067","0.003","1196.73","0.15","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H25 N3 Ni O3 S -","- C29 H25 N3 Ni O3 S -","- C58 H50 N6 Ni2 O6 S2 -","2","1","","Ravn, Anne K.; Vilstrup, Maria B. T.; Noerby, Peter; Nielsen, Dennis U.; Daasbjerg, Kim; Skrydstrup, Troels","Carbon Isotope Labeling Strategy for β-Amino Acid Derivatives via Carbonylation of Azanickellacycles.","Journal of the American Chemical Society","2019","141","30","11821","11826","10.1021/jacs.9b05934","","","0.56086","AgKα","","0.0411","0.0337","","","0.0814","0.0859","","","","","","1.086","","","","has coordinates","221629","2020-10-21","18:00:00",""
"4128550","9.6272","0.0004","9.1437","0.0004","11.9261","0.0006","90","","90","","90","","1049.83","0.08","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ba2 P6 Si3 -","- Ba2 P6 Si3 -","- Ba8 P24 Si12 -","4","1","","Mark, Justin; Wang, Jian; Wu, Kui; Lo, Jeane Gladys; Lee, Shannon; Kovnir, Kirill","Ba<sub>2</sub>Si<sub>3</sub>P<sub>6</sub>: 1D Nonlinear Optical Material with Thermal Barrier Chains.","Journal of the American Chemical Society","2019","141","30","11976","11983","10.1021/jacs.9b04653","","","0.71073","MoKα","","0.0185","0.0151","","","0.0315","0.0319","","","","","","1.109","","","","has coordinates","221630","2020-10-21","18:00:00",""
"4128551","34.623","0.014","34.623","0.014","15.731","0.004","90","","90","","120","","16331","10","110","","110","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C176 H212 Au25 N55 S18 -","- C176.002 H144 Au25 N55 S18 -","- C528.005 H432 Au75 N165 S54 -","3","0.166667","","Gunawardene, Praveen N.; Corrigan, John F.; Workentin, Mark S.","Golden Opportunity: A Clickable Azide-Functionalized [Au<sub>25</sub>(SR)<sub>18</sub>]<sup>-</sup> Nanocluster Platform for Interfacial Surface Modifications.","Journal of the American Chemical Society","2019","141","30","11781","11785","10.1021/jacs.9b05182","","","0.71073","MoKα","","0.0859","0.0515","","","0.1266","0.1592","","","","","","1.145","","","","has coordinates,has disorder","221631","2020-10-21","18:00:00",""
"4128552","42.9147","0.0015","15.7637","0.0005","16.3301","0.0005","90","","90","","90","","11047.2","0.6","170","2","170","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C59 H76 Cl2 O10 -","- C59 H76 Cl2 O10 -","- C472 H608 Cl16 O80 -","8","1","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Huang, Feihe","<i>Cis</i>-<i>Trans</i> Selectivity of Haloalkene Isomers in Nonporous Adaptive Pillararene Crystals.","Journal of the American Chemical Society","2019","141","30","11847","11851","10.1021/jacs.9b06188","","","1.34139","GaKα","","0.1229","0.0715","","","0.1553","0.185","","","","","","1.024","","","","has coordinates,has disorder","221632","2020-10-21","18:00:00",""
"4128553","11.365","0.0003","13.1318","0.0003","21.8808","0.0005","90","","91.274","0.001","90","","3264.75","0.14","111","2","111.51","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H45 Cl O6 -","- C35 H45 Cl O6 -","- C140 H180 Cl4 O24 -","4","1","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Huang, Feihe","<i>Cis</i>-<i>Trans</i> Selectivity of Haloalkene Isomers in Nonporous Adaptive Pillararene Crystals.","Journal of the American Chemical Society","2019","141","30","11847","11851","10.1021/jacs.9b06188","","","1.34139","GaKα","","0.0731","0.0627","","","0.1642","0.1733","","","","","","1.032","","","","has coordinates","221633","2020-10-21","18:00:00",""
"4128554","43.026","0.002","15.8064","0.0008","16.2928","0.0008","90","","90","","90","","11080.5","0.9","170","2","170","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C59 H76 Cl2 O10 -","- C59 H76 Cl2 O10 -","- C472 H608 Cl16 O80 -","8","1","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Huang, Feihe","<i>Cis</i>-<i>Trans</i> Selectivity of Haloalkene Isomers in Nonporous Adaptive Pillararene Crystals.","Journal of the American Chemical Society","2019","141","30","11847","11851","10.1021/jacs.9b06188","","","1.34139","GaKα","","0.1004","0.068","","","0.1667","0.1902","","","","","","1.036","","","","has coordinates","221634","2020-10-21","18:00:00",""
"4128555","26.441","0.004","12.5644","0.0018","25.776","0.004","90","","120.301","0.008","90","","7393","2","110","2","110.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C78 H102 Cl3 O12 -","- C78 H84 Cl3 O12 -","- C312 H336 Cl12 O48 -","4","0.5","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Huang, Feihe","<i>Cis</i>-<i>Trans</i> Selectivity of Haloalkene Isomers in Nonporous Adaptive Pillararene Crystals.","Journal of the American Chemical Society","2019","141","30","11847","11851","10.1021/jacs.9b06188","","","1.34139","GaKα","","0.1361","0.1292","","","0.2839","0.2869","","","","","","0.982","","","","has coordinates,has disorder","221635","2020-10-21","18:00:00",""
"4128556","22.174","0.001","10.4504","0.0004","28.6661","0.0014","90","","111.129","0.005","90","","6196.1","0.5","100","0.2","100","0.2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C256 H336 N16 O48 -","16","4","","Lei, Honghui; Conway, Jr, John H; Cook, Caleb C.; Rovis, Tomislav","Ligand Controlled Ir-Catalyzed Regiodivergent Oxyamination of Unactivated Alkenes.","Journal of the American Chemical Society","2019","141","30","11864","11869","10.1021/jacs.9b06366","","x-ray","0.71073","MoKα","","0.0963","0.0673","","","0.1246","0.1432","","","","","","1.028","","","","has coordinates,has disorder","221636","2020-10-21","18:00:00",""
"4128557","4.5734","0.00017","9.8222","0.0004","15.0672","0.0006","90","","94.519","0.004","90","","674.73","0.05","100.3","0.6","100.3","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","","Lei, Honghui; Conway, Jr, John H; Cook, Caleb C.; Rovis, Tomislav","Ligand Controlled Ir-Catalyzed Regiodivergent Oxyamination of Unactivated Alkenes.","Journal of the American Chemical Society","2019","141","30","11864","11869","10.1021/jacs.9b06366","","x-ray","1.54184","CuKα","","0.0502","0.0478","","","0.1329","0.1358","","","","","","1.077","","","","has coordinates,has disorder","221637","2020-10-21","18:00:00",""
"4128558","5.9616","0.0005","7.0596","0.0005","9.5102","0.0006","70.172","0.006","89.251","0.006","79.122","0.007","369.19","0.05","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Br N O -","- C6 H10 Br N O -","- C12 H20 Br2 N2 O2 -","2","1","","Lei, Honghui; Conway, Jr, John H; Cook, Caleb C.; Rovis, Tomislav","Ligand Controlled Ir-Catalyzed Regiodivergent Oxyamination of Unactivated Alkenes.","Journal of the American Chemical Society","2019","141","30","11864","11869","10.1021/jacs.9b06366","","x-ray","0.71073","MoKα","","0.039","0.0323","","","0.0605","0.0647","","","","","","0.993","","","","has coordinates,has disorder","221638","2020-10-21","18:00:00",""
"4128559","8.3359","0.0004","11.5375","0.0005","11.8279","0.0005","90","","90","","90","","1137.55","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 N4 O4 -","- C9 H16 N4 O4 -","- C36 H64 N16 O16 -","4","1","","Zhang, Weicheng; Pal, Ayan; Ricardo, Alonso; Szostak, Jack W.","Template-Directed Nonenzymatic Primer Extension Using 2-Methylimidazole-Activated Morpholino Derivatives of Guanosine and Cytidine.","Journal of the American Chemical Society","2019","141","30","12159","12166","10.1021/jacs.9b06453","","","1.54178","CuKα","","0.0234","0.0233","","","0.0612","0.0613","","","","","","1.073","","","","has coordinates","221639","2020-10-21","18:00:00",""
"4128560","8.38505","0.00012","36.0429","0.0005","8.62496","0.00013","90","","98.4463","0.0012","90","","2578.38","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H68 N24 O18 -","- C40.001 H68.004 N24 O18.001 -","- C80.002 H136.008 N48 O36.002 -","2","1","","Zhang, Weicheng; Pal, Ayan; Ricardo, Alonso; Szostak, Jack W.","Template-Directed Nonenzymatic Primer Extension Using 2-Methylimidazole-Activated Morpholino Derivatives of Guanosine and Cytidine.","Journal of the American Chemical Society","2019","141","30","12159","12166","10.1021/jacs.9b06453","","","1.54178","CuKα","","0.0459","0.0431","","","0.1165","0.1193","","","","","","1.025","","","","has coordinates,has disorder","221640","2020-10-21","18:00:00",""
"4128561","29.9757","0.0004","29.9757","0.0004","25.6092","0.0005","90","","90","","90","","23011","0.6","100.01","0.1","100.01","0.1","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C336 H348 Ag40 P8 S24 -","- C336 H348 Ag40 P8 S24 -","- C672 H696 Ag80 P16 S48 -","2","0.25","","Yuan, Xiting; Sun, Cunfa; Li, Xihua; Malola, Sami; Teo, Boon K.; Häkkinen, Hannu; Zheng, Lan-Sun; Zheng, Nanfeng","Combinatorial Identification of Hydrides in a Ligated Ag<sub>40</sub> Nanocluster with Noncompact Metal Core.","Journal of the American Chemical Society","2019","141","30","11905","11911","10.1021/jacs.9b03009","","x-ray","0.71073","MoKα","","0.1729","0.1055","","","0.2655","0.3327","","","","","","1.056","","","","has coordinates","221641","2020-10-21","18:00:00",""
"4128562","9.3985","0.00009","35.4184","0.0004","11.55526","0.00011","90","","90.1733","0.0009","90","","3846.5","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H38 Au Cl F12 N P -","- C40 H38 Au Cl F12 N P -","- C160 H152 Au4 Cl4 F48 N4 P4 -","4","2","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.0508","0.0496","","","0.142","0.1424","","","","","","1.464","","","","has coordinates","221642","2020-10-21","18:00:00",""
"4128563","13.4203","0.0006","18.534","0.0007","24.6963","0.001","90","","103.767","0.0013","90","","5966.3","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C114.5 H94 Au2 B Cl F48 N2 P2 -","- C114.5 H94 Au2 B Cl F48 N2 P2 -","- C229 H188 Au4 B2 Cl2 F96 N4 P4 -","2","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.0482","0.0357","","","0.0734","0.0784","","","","","","1.008","","","","has coordinates,has disorder","221643","2020-10-21","18:00:00",""
"4128564","24.0901","0.0002","12.5656","0.0001","17.3127","0.0001","90","","93.747","0.001","90","","5229.47","0.07","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C54.4 H69.4 Au Cl3.4 N O1.3 P -","- C54.4 H69.4 Au Cl3.4 N O1.3 P -","- C217.6 H277.6 Au4 Cl13.6 N4 O5.2 P4 -","4","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.0378","0.0334","","","0.0844","0.0859","","","","","","1.078","","","","has coordinates,has disorder","221644","2020-10-21","18:00:00",""
"4128565","11.051","0.0002","5.95087","0.00013","13.0137","0.0004","90","","96.926","0.002","90","","849.58","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.0517","0.0395","","","0.0936","0.0992","","","","","","0.979","","","","has coordinates","221645","2020-10-21","18:00:00",""
"4128566","10.6353","0.0006","13.0254","0.0007","15.5365","0.0009","107.834","0.0015","104.675","0.0016","98.9253","0.0016","1917.66","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22.25 H27 O3 -","- C22.25 H27 O3 -","- C89 H108 O12 -","4","2","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.0667","0.0531","","","0.1447","0.1556","","","","","","1.029","","","","has coordinates,has disorder","221646","2020-10-21","18:00:00",""
"4128567","17.5452","0.0005","11.4903","0.0004","24.4692","0.0008","90","","90","","90","","4933","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H38 O6 -","- C27 H38 O6 -","- C216 H304 O48 -","8","2","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.05","0.0395","","","0.0961","0.1018","","","","","","1.045","","","","has coordinates,has disorder","221647","2020-10-21","18:00:00",""
"4128568","13.3067","0.0008","7.852","0.0005","17.2035","0.0011","90","","107.407","0.002","90","","1715.18","0.19","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.0711","0.0492","","","0.1223","0.1355","","","","","","1.038","","","","has coordinates","221648","2020-10-21","18:00:00",""
"4128569","10.9819","0.0005","8.2059","0.0004","12.0674","0.0005","90","","102.146","0.001","90","","1063.13","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H30 O2 -","- C27 H30 O2 -","- C54 H60 O4 -","2","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","1.54178","CuKα","","0.0286","0.0285","","","0.0741","0.0743","","","","","","1.048","","","","has coordinates","221649","2020-10-21","18:00:00",""
"4128570","14.6354","0.0007","14.6996","0.0005","14.9478","0.0004","108.499","0.003","118.729","0.004","96.102","0.003","2541.4","0.2","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C107.95 H109.9 Au2 Cl2.4 F24 N2 O0.25 P2 -","- C107.95 H109.9 Au2 Cl2.4 F24 N2 O0.25 P2 -","- C107.95 H109.9 Au2 Cl2.4 F24 N2 O0.25 P2 -","1","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.1138","0.0807","","","0.1753","0.1851","","","","","","0.984","","","","has coordinates,has disorder","221650","2020-10-21","18:00:00",""
"4128571","14.4908","0.0005","14.6376","0.0005","15.2041","0.0008","66.7066","0.0015","61.5893","0.001","83.9903","0.0011","2591.4","0.19","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C54.9 H53.5 Au Cl1.3 F15 N P -","- C54.9 H53.5 Au Cl1.3 F15 N P -","- C109.8 H107 Au2 Cl2.6 F30 N2 P2 -","2","2","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.032","0.0263","","","0.0553","0.0573","","","","","","1.003","","","","has coordinates,has disorder","221651","2020-10-21","18:00:00",""
"4128572","9.2294","0.0004","9.5235","0.0004","9.8268","0.0005","76.3219","0.0014","66.9921","0.0014","89.3666","0.0015","769.28","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H42 Fe O6 -","- C36 H42 Fe O6 -","- C36 H42 Fe O6 -","1","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.0278","0.027","","","0.0636","0.0641","","","","","","1.032","","","","has coordinates","221652","2020-10-21","18:00:00",""
"4128573","19.752","0.0007","10.2926","0.0003","46.4258","0.0015","90","","94.082","0.003","90","","9414.4","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C52 H50 Au Cl F12 N P -","- C52 H50 Au Cl F12 N P -","- C416 H400 Au8 Cl8 F96 N8 P8 -","8","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.1145","0.0742","","","0.2083","0.2189","","","","","","1.304","","","","has coordinates,has disorder","221653","2020-10-21","18:00:00",""
"4128574","52.893","0.011","8.1609","0.0016","38.856","0.008","90","","132.39","0.03","90","","12388","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H80 As8 F48 N20 O2 Pd4 -","- C92 H76 As7.998 F48 N20 O2 Pd4 -","- C368 H304 As31.992 F192 N80 O8 Pd16 -","4","0.5","","Lavendomme, Roy; Ronson, Tanya K.; Nitschke, Jonathan R.","Metal and Organic Templates Together Control the Size of Covalent Macrocycles and Cages.","Journal of the American Chemical Society","2019","141","30","12147","12158","10.1021/jacs.9b06182","","","0.6889","Synchrotron","","0.1015","0.0772","","","0.1976","0.2137","","","","","","0.956","","","","has coordinates,has disorder","221654","2020-10-21","18:00:00",""
"4128575","21.9773","0.0008","22.3335","0.0005","34.7471","0.0009","107.703","0.002","91.695","0.003","116.031","0.002","14331.9","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C243 H178.25 B F70 N35.25 O19 Pd6 Sb11 -","- C243 H166.5 B F64.9 N35.25 O19 Pd6 Sb10.15 -","- C486 H333 B2 F129.8 N70.5 O38 Pd12 Sb20.3 -","2","1","","Lavendomme, Roy; Ronson, Tanya K.; Nitschke, Jonathan R.","Metal and Organic Templates Together Control the Size of Covalent Macrocycles and Cages.","Journal of the American Chemical Society","2019","141","30","12147","12158","10.1021/jacs.9b06182","","","0.6889","Synchrotron","","0.1273","0.0899","","","0.2895","0.3145","","","","","","1.054","","","","has coordinates,has disorder","221655","2020-10-21","18:00:00",""
"4128576","21.948","0.004","30.273","0.006","31.103","0.006","90","","90","","90","","20666","7","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C138 H102 As6 Cl6 F36 N22 Pd6 -","- C138 H102 As6 Cl6 F36 N22 Pd6 -","- C552 H408 As24 Cl24 F144 N88 Pd24 -","4","0.25","","Lavendomme, Roy; Ronson, Tanya K.; Nitschke, Jonathan R.","Metal and Organic Templates Together Control the Size of Covalent Macrocycles and Cages.","Journal of the American Chemical Society","2019","141","30","12147","12158","10.1021/jacs.9b06182","","","0.6889","Synchrotron","","0.1534","0.1278","","","0.3265","0.3485","","","","","","1.074","","","","has coordinates,has disorder","221656","2020-10-21","18:00:00",""
"4128577","11.2263","0.0016","11.4866","0.0016","12.2107","0.0018","68.513","0.003","67.287","0.003","70.345","0.003","1316.2","0.3","100","2","99.95","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Cl8 Fe3 O6 -","- C48 H48 Cl8 Fe3 O6 -","- C48 H48 Cl8 Fe3 O6 -","1","0.5","","Hanson, Carly S.; Psaltakis, Mary C.; Cortes, Janiel J.; Devery, 3rd, James J","Catalyst Behavior in Metal-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2019","141","30","11870","11880","10.1021/jacs.9b02613","","","0.71073","MoKα","","0.1176","0.077","","","0.2169","0.2445","","","","","","1.045","","","","has coordinates","221657","2020-10-21","18:00:00",""
"4128578","10.4909","0.0004","11.3351","0.0004","13.476","0.0005","93.2595","0.0009","92.3269","0.0008","94.7368","0.0008","1592.79","0.1","100","2","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Cl6 Fe2 O4 -","- C28 H24 Cl6 Fe2 O4 -","- C56 H48 Cl12 Fe4 O8 -","2","1","","Hanson, Carly S.; Psaltakis, Mary C.; Cortes, Janiel J.; Devery, 3rd, James J","Catalyst Behavior in Metal-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2019","141","30","11870","11880","10.1021/jacs.9b02613","","","0.71073","MoKα","","0.0512","0.0321","","","0.0694","0.0759","","","","","","1.013","","","","has coordinates","221658","2020-10-21","18:00:00",""
"4128579","9.176","0.0003","18.7713","0.0007","10.2557","0.0004","90","","91.1083","0.0008","90","","1766.17","0.11","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Cl8 Fe3 O6 -","- C18 H36 Cl8 Fe3 O6 -","- C36 H72 Cl16 Fe6 O12 -","2","0.5","","Hanson, Carly S.; Psaltakis, Mary C.; Cortes, Janiel J.; Devery, 3rd, James J","Catalyst Behavior in Metal-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2019","141","30","11870","11880","10.1021/jacs.9b02613","","","0.71073","MoKα","","0.0415","0.0295","","","0.0713","0.0766","","","","","","1.03","","","","has coordinates,has disorder","221659","2020-10-21","18:00:00",""
"4128580","39.887","0.003","39.887","0.003","39.887","0.003","90","","90","","90","","63459","8","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C252 H242 Co24 N12 O109 -","- C252 H216 Co24 N12 O109 -","- C1008 H864 Co96 N48 O436 -","4","0.0208333","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.71073","MoKα","","0.0863","0.0578","","","0.1634","0.1821","","","","","","0.993","","","","has coordinates,has disorder","221660","2020-10-21","18:00:00",""
"4128581","29.526","0.0009","29.7496","0.001","42.4158","0.0014","90","","90.473","0.002","90","","37256","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C324 H360 Mo24 N12 O102 -","- C324 H360 Mo24 N12 O102 -","- C648 H720 Mo48 N24 O204 -","2","0.5","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","1.54178","CuKα","","0.098","0.0806","","","0.2218","0.2394","","","","","","1.038","","","","has coordinates","221661","2020-10-21","18:00:00",""
"4128582","40.3","0.004","40.3","0.004","40.3","0.004","90","","90","","90","","65451","11","9.2","0.2","9.2","0.2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Fe Metal Organic Framework","- C71.24 H45.4 D10.4 Fe4 N3.3 O23.22 -","- C59.232 H45.0072 D10.7856 Fe4 N3.30667 O23.224 -","- C1421.57 H1080.17 D258.854 Fe96 N79.36 O557.376 -","24","0.125","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.032","","","","","","","has coordinates","221662","2020-10-21","18:00:00",""
"4128583","40.237","0.006","40.237","0.006","40.237","0.006","90","","90","","90","","65144","17","6.54","0.08","6.54","0.08","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Fe-Me-dabco MOF w/ CD4","- C39.13 H22.5 D19.49 Fe2 N1.65 O11.61 -","- C39.1313 H22.5036 D19.4861 Fe2 N1.65333 O11.612 -","- C1878.3 H1080.17 D935.334 Fe96 N79.36 O557.376 -","48","0.25","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.055","","","","","","","has coordinates","221663","2020-10-21","18:00:00",""
"4128584","39.85","0.002","39.85","0.002","39.85","0.002","90","","90","","90","","63283","6","13.085","0.004","13.085","0.004","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Co-Me-dabco MOF w/ CD4","- C32.76 H17.52 Co2 D22.9 N1.38 O11.4 -","- C32.7553 H17.5244 Co2 D22.9027 N1.37933 O11.404 -","- C1572.26 H841.171 Co96 D1099.33 N66.208 O547.392 -","48","0.25","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.185","","","","","","","has coordinates","221664","2020-10-21","18:00:00",""
"4128585","39.86","0.003","39.86","0.003","39.86","0.003","90","","90","","90","","63330","8","13.1","0.02","13.1","0.02","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Co-Me-dabco MOF w/ CD4","- C30.07 H17.52 Co2 D12.18 N1.38 O11.4 -","- C30.0722 H17.5244 Co2 D12.1827 N1.37933 O11.404 -","- C1443.47 H841.171 Co96 D584.768 N66.208 O547.392 -","48","0.25","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.061","","","","","","","has coordinates","221665","2020-10-21","18:00:00",""
"4128586","40.233","0.006","40.233","0.006","40.233","0.006","90","","90","","90","","65125","17","6.46","0.05","6.46","0.05","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Fe-Me-dabco MOF w/ CD4","- C36.89 H22.5 D10.52 Fe2 N1.65 O11.61 -","- C36.89 H22.5036 D10.5155 Fe2 N1.65333 O11.612 -","- C1770.72 H1080.17 D504.742 Fe96 N79.36 O557.376 -","48","0.25","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.053","","","","","","","has coordinates","221666","2020-10-21","18:00:00",""
"4128587","39.857","0.002","39.857","0.002","39.857","0.002","90","","90","","90","","63316","6","13.14","0.04","13.14","0.04","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Co-Me-dabco","- C28.19 H19.74 Co2 D9.07 N1.38 O10.65 -","- C28.944 H17.5244 Co2 D7.6692 N1.38 O11.404 -","- C1389.31 H841.171 Co96 D368.122 N66.24 O547.392 -","48","0.25","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.036","","","","","","","has coordinates","221667","2020-10-21","18:00:00",""
"4128588","10.8286","0.0008","11.9086","0.0009","12.5098","0.0009","81.132","0.002","76.324","0.002","66.007","0.002","1428.95","0.18","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C35 H45 N3 -","- C35 H45 N3 -","- C70 H90 N6 -","2","1","","Kieser, Jerod M.; Kinney, Zacharias J.; Gaffen, Joshua R.; Evariste, Sloane; Harrison, Alexandra M.; Rheingold, Arnold L.; Protasiewicz, John D.","Three Ways Isolable Carbenes Can Modulate Emission of NH-Containing Fluorophores.","Journal of the American Chemical Society","2019","141","30","12055","12063","10.1021/jacs.9b04864","","x-ray","0.71073","MoKα","","0.0591","0.0406","","","0.0898","0.1007","","","","","","1.03","","","","has coordinates","221668","2020-10-21","18:00:00",""
"4128589","23.3219","0.0003","9.3633","0.0002","17.7798","0.0004","90","","122.646","0.001","90","","3269.2","0.12","100","","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C39 H45 N3 -","- C39 H45 N3 -","- C156 H180 N12 -","4","1","","Kieser, Jerod M.; Kinney, Zacharias J.; Gaffen, Joshua R.; Evariste, Sloane; Harrison, Alexandra M.; Rheingold, Arnold L.; Protasiewicz, John D.","Three Ways Isolable Carbenes Can Modulate Emission of NH-Containing Fluorophores.","Journal of the American Chemical Society","2019","141","30","12055","12063","10.1021/jacs.9b04864","","x-ray","1.54178","CuKα","","0.0304","0.0298","","","0.0749","0.0755","","","","","","1.055","","","","has coordinates","221669","2020-10-21","18:00:00",""
"4128590","9.3881","0.0004","9.6798","0.0005","15.74","0.0012","104.169","0.005","90.296","0.005","98.022","0.005","1372.13","0.14","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H44 N2 -","- C34 H44 N2 -","- C68 H88 N4 -","2","1","","Kieser, Jerod M.; Kinney, Zacharias J.; Gaffen, Joshua R.; Evariste, Sloane; Harrison, Alexandra M.; Rheingold, Arnold L.; Protasiewicz, John D.","Three Ways Isolable Carbenes Can Modulate Emission of NH-Containing Fluorophores.","Journal of the American Chemical Society","2019","141","30","12055","12063","10.1021/jacs.9b04864","","x-ray","1.54178","CuKα","","0.0552","0.048","","","0.1261","0.1324","","","","","","1.045","","","","has coordinates","221670","2020-10-21","18:00:00",""
"4128591","16.6802","0.0007","22.0707","0.0009","29.4908","0.0011","106.262","0.002","94.104","0.002","100.781","0.002","10149.7","0.7","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H46 N4 -","- C40 H46 N4 -","- C480 H552 N48 -","12","6","","Kieser, Jerod M.; Kinney, Zacharias J.; Gaffen, Joshua R.; Evariste, Sloane; Harrison, Alexandra M.; Rheingold, Arnold L.; Protasiewicz, John D.","Three Ways Isolable Carbenes Can Modulate Emission of NH-Containing Fluorophores.","Journal of the American Chemical Society","2019","141","30","12055","12063","10.1021/jacs.9b04864","","x-ray","1.54178","CuKα","","0.1651","0.0984","","","0.2505","0.3106","","","","","","1.051","","","","has coordinates,has disorder","221671","2020-10-21","18:00:00",""
"4128592","11.17","0.0007","12.9671","0.0009","15.7532","0.001","95.063","0.005","97.091","0.005","91.364","0.005","2254.1","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","5,14-Bis(4-(tert-butyl)phenyl)dibenzo[a,m]rubicene-9,18-dicarbaldehyde","","- C57 H44 Cl2 O2 -","- C57 H44 Cl2 O2 -","- C114 H88 Cl4 O4 -","2","1","","Liu, Junzhi; Mishra, Shantanu; Pignedoli, Carlo A.; Passerone, Daniele; Urgel, José I; Fabrizio, Alberto; Lohr, Thorsten G.; Ma, Ji; Komber, Hartmut; Baumgarten, Martin; Corminboeuf, Clémence; Berger, Reinhard; Ruffieux, Pascal; Müllen, Klaus; Fasel, Roman; Feng, Xinliang","Open-Shell Nonbenzenoid Nanographenes Containing Two Pairs of Pentagonal and Heptagonal Rings.","Journal of the American Chemical Society","2019","141","30","12011","12020","10.1021/jacs.9b04718","","","1.54178","CuKα","","0.1232","0.0669","","","0.1714","0.2023","","","","","","0.943","","","","has coordinates,has disorder","221672","2020-10-21","18:00:00",""
"4128593","12.0369","0.0006","15.4579","0.0007","22.539","0.0011","85.802","0.002","74.887","0.002","82.736","0.002","4012.6","0.3","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C132 H180 F12 N4 O16 P8 Pt4 S4 -","- C132.001 H180 F12.0018 N4 O16.0018 P8 Pt4 S4.0006 -","- C132.001 H180 F12.0018 N4 O16.0018 P8 Pt4 S4.0006 -","1","0.5","","Shi, Bingbing; Zhou, Zhixuan; Vanderlinden, Ryan T.; Tang, Jian-Hong; Yu, Guocan; Acharyya, Koushik; Sepehrpour, Hajar; Stang, Peter J.","Spontaneous Supramolecular Polymerization Driven by Discrete Platinum Metallacycle-Based Host-Guest Complexation.","Journal of the American Chemical Society","2019","141","30","11837","11841","10.1021/jacs.9b06181","","","0.71073","MoKα","","0.0507","0.0363","","","0.0873","0.0975","","","","","","1.023","","","","has coordinates,has disorder","221673","2020-10-21","18:00:00",""
"4128594","8.1884","0.0006","8.7282","0.0006","11.6015","0.0008","90","","97.533","0.003","90","","822","0.1","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Cl N O5 -","- C16 H18 Cl N O5 -","- C32 H36 Cl2 N2 O10 -","2","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0368","0.0324","","","0.0821","0.0854","","","","","","1.033","","","","has coordinates","221674","2020-10-21","18:00:00",""
"4128595","10.802","0.0006","13.4468","0.0008","12.4893","0.0008","90","","111.444","0.003","90","","1688.52","0.18","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0563","0.0548","","","0.1364","0.1375","","","","","","1.047","","","","has coordinates","221675","2020-10-21","18:00:00",""
"4128596","10.449","0.0004","19.9438","0.001","23.4389","0.0012","90","","90","","90","","4884.5","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C192 H216 N24 O84 -","12","3","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0279","0.0256","","","0.0652","0.0663","","","","","","1.029","","","","has coordinates","221676","2020-10-21","18:00:00",""
"4128597","7.9095","0.0003","12.5033","0.0005","16.0063","0.0006","90","","90","","90","","1582.94","0.11","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O5 -","- C16 H18 Cl N O5 -","- C64 H72 Cl4 N4 O20 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0434","0.0329","","","0.0729","0.0768","","","","","","1.015","","","","has coordinates","221677","2020-10-21","18:00:00",""
"4128598","8.4176","0.0004","16.5025","0.0009","25.2215","0.0014","90","","90","","90","","3503.6","0.3","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C160 H152 N8 O40 -","8","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0509","0.0454","","","0.106","0.109","","","","","","1.038","","","","has coordinates,has disorder","221678","2020-10-21","18:00:00",""
"4128599","7.7728","0.0004","10.0844","0.0004","19.1537","0.0009","90","","90","","90","","1501.34","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0259","0.0242","","","0.0633","0.0642","","","","","","1.028","","","","has coordinates","221679","2020-10-21","18:00:00",""
"4128600","7.9491","0.0005","12.798","0.0008","15.8009","0.0011","90","","90","","90","","1607.47","0.18","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O5 -","- C16 H18 Br N O5 -","- C64 H72 Br4 N4 O20 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.027","0.02","","","0.0487","0.0503","","","","","","1.026","","","","has coordinates","221681","2020-10-21","18:00:00",""
"4128601","7.8665","0.0005","20.7338","0.0014","10.0786","0.0006","90","","90.438","0.005","90","","1643.8","0.18","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C64 H72 N8 O28 -","4","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0754","0.0479","","","0.1012","0.1111","","","","","","1.033","","","","has coordinates","221682","2020-10-21","18:00:00",""
"4128602","10.2919","0.0006","5.9783","0.0003","11.3506","0.0006","90","","98.101","0.004","90","","691.41","0.06","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C28 H34 N2 O10 -","2","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0277","0.0261","","","0.0657","0.0666","","","","","","1.042","","","","has coordinates","221683","2020-10-21","18:00:00",""
"4128603","12.9997","0.0008","7.5607","0.0005","17.0068","0.0011","90","","111.408","0.002","90","","1556.22","0.17","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0287","0.0281","","","0.0742","0.0747","","","","","","1.029","","","","has coordinates","221684","2020-10-21","18:00:00",""
"4128604","8.0024","0.0004","8.9423","0.0004","11.7925","0.0006","90","","99.172","0.002","90","","833.08","0.07","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O5 -","- C16 H18 Br N O5 -","- C32 H36 Br2 N2 O10 -","2","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0319","0.0238","","","0.052","0.0538","","","","","","1.024","","","","has coordinates","221685","2020-10-21","18:00:00",""
"4128605","8.0194","0.0004","12.4357","0.0007","16.2639","0.0009","90","","90","","90","","1621.95","0.15","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0247","0.0243","","","0.0642","0.0646","","","","","","1.038","","","","has coordinates,has disorder","221686","2020-10-21","18:00:00",""
"4128606","10.1253","0.0004","16.2847","0.0007","34.7577","0.0014","90","","90","","90","","5731.1","0.4","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H73 Cu F3 N2 O10 S -","- C59 H73 Cu F3 N2 O10 S -","- C236 H292 Cu4 F12 N8 O40 S4 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0887","0.0537","","","0.1069","0.1157","","","","","","1.039","","","","has coordinates,has disorder","221687","2020-10-21","18:00:00",""
"4128607","21.5588","0.001","9.6915","0.0004","18.4478","0.0007","90","","111.05","0.002","90","","3597.2","0.3","135","2","135","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H20 Cl N O5 -","- C17 H20 Cl N O5 -","- C136 H160 Cl8 N8 O40 -","8","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0706","0.0409","","","0.07","0.076","","","","","","1.026","","","","has coordinates,has disorder","221688","2020-10-21","18:00:00",""
"4128608","9.4138","0.0003","9.5283","0.0003","18.5945","0.0005","90","","90","","90","","1667.88","0.09","135","2","135","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0278","0.0263","","","0.0668","0.0679","","","","","","1.035","","","","has coordinates","221689","2020-10-21","18:00:00",""
"4128609","8.3697","0.0004","8.4872","0.0005","10.8138","0.0006","90","","93.883","0.002","90","","766.4","0.07","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0258","0.0253","","","0.0675","0.0681","","","","","","1.004","","","","has coordinates","221690","2020-10-21","18:00:00",""
"4128610","20.525","0.003","20.525","0.003","18.668","0.003","90","","90","","120","","6810.7","1.8","273","2","273","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C102 H90 Br6 F6 N1.5 Np18 O78 -","- C51 Br2.4 F3 Np9 O39 -","- C102 Br4.8 F6 Np18 O78 -","2","0.166667","","Gilson, Sara E.; Li, Peng; Szymanowski, Jennifer E. S.; White, Jacob; Ray, Debmalya; Gagliardi, Laura; Farha, Omar K.; Burns, Peter C.","In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","30","11842","11846","10.1021/jacs.9b06187","","","0.71073","MoKα","","0.0926","0.0657","","","0.1739","0.198","","","","","","1.033","","","","has coordinates,has disorder","221691","2020-10-21","18:00:00",""
"4128611","20.835","0.013","20.835","0.013","18.453","0.012","90","","90","","120","","6937","8","273","2","273","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C102 H90 F6 Np18 O78 -","- C102 H54 F6 Np18 O78 -","- C102 H54 F6 Np18 O78 -","1","0.0833333","","Gilson, Sara E.; Li, Peng; Szymanowski, Jennifer E. S.; White, Jacob; Ray, Debmalya; Gagliardi, Laura; Farha, Omar K.; Burns, Peter C.","In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","30","11842","11846","10.1021/jacs.9b06187","","","0.71073","MoKα","","0.0814","0.0686","","","0.1932","0.21","","","","","","0.944","","","","has coordinates","221692","2020-10-21","18:00:00",""
"4128612","20.719","0.006","20.719","0.006","18.477","0.005","90","","90","","120","","6869","3","273","2","273","2","","","","","","","","6","P 6/m","-P 6","175","","","","- C1.34 H1.18 F0.08 N0.04 Np0.24 O1.05 -","- C1.34211 H0.671053 F0.0789474 N0.0394737 Np0.236842 O1.10526 -","- C102 H51 F6 N3 Np18 O84 -","76","6.33333","","Gilson, Sara E.; Li, Peng; Szymanowski, Jennifer E. S.; White, Jacob; Ray, Debmalya; Gagliardi, Laura; Farha, Omar K.; Burns, Peter C.","In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","30","11842","11846","10.1021/jacs.9b06187","","","0.71073","MoKα","","0.0771","0.0738","","","0.2025","0.2057","","","","","","1.118","","","","has coordinates,has disorder","221693","2020-10-21","18:00:00",""
"4128613","10.7997","0.0004","18.2694","0.0006","16.827","0.0006","90","","90","","90","","3320","0.2","285","2","285.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C10 H28 Cl14 N4 Pb5 -","- C10 H28 Cl14 N4 Pb5 -","- C40 H112 Cl56 N16 Pb20 -","4","0.5","","Peng, Yu; Li, Lina; Ji, Chengmin; Wu, Zhenyue; Wang, Sasa; Liu, Xitao; Yao, Yunpeng; Luo, Junhua","Tailored Synthesis of an Unprecedented Pb-Mn Heterometallic Halide Hybrid with Enhanced Emission.","Journal of the American Chemical Society","2019","141","31","12197","12201","10.1021/jacs.9b04829","","","0.71073","MoKα","","0.0623","0.0451","","","0.0961","0.1039","","","","","","1.092","","","","has coordinates","221694","2020-10-21","18:00:00",""
"4128614","10.3435","0.0003","16.9247","0.0006","18.366","0.0007","90","","90","","90","","3215.16","0.19","200","2","200.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 Cl14 Mn N4 Pb4 -","- C10 H28 Cl14 Mn N4 Pb4 -","- C40 H112 Cl56 Mn4 N16 Pb16 -","4","1","","Peng, Yu; Li, Lina; Ji, Chengmin; Wu, Zhenyue; Wang, Sasa; Liu, Xitao; Yao, Yunpeng; Luo, Junhua","Tailored Synthesis of an Unprecedented Pb-Mn Heterometallic Halide Hybrid with Enhanced Emission.","Journal of the American Chemical Society","2019","141","31","12197","12201","10.1021/jacs.9b04829","","","0.71073","MoKα","","0.0576","0.0475","","","0.1145","0.1255","","","","","","1.014","","","","has coordinates","221695","2020-10-21","18:00:00",""
"4128615","12.1239","0.0008","13.1282","0.0009","14.4151","0.001","87.304","0.0009","75.4289","0.0009","76.0963","0.0009","2155.3","0.3","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C96 H132 O18 -","6","3","","Thomas, William P.; Schatz, Devon J.; George, David T.; Pronin, Sergey V.","A Radical-Polar Crossover Annulation To Access Terpenoid Motifs.","Journal of the American Chemical Society","2019","141","31","12246","12250","10.1021/jacs.9b07346","","","0.71073","MoKα","","0.0882","0.0622","","","0.1582","0.1758","","","","","","1.023","","","","has coordinates,has disorder","221696","2020-10-21","18:00:00",""
"4128616","11.3869","0.0006","11.0755","0.0006","16.4649","0.0009","90","","106.017","0.0007","90","","1995.87","0.19","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 O6 -","- C21 H32 O6 -","- C84 H128 O24 -","4","1","","Thomas, William P.; Schatz, Devon J.; George, David T.; Pronin, Sergey V.","A Radical-Polar Crossover Annulation To Access Terpenoid Motifs.","Journal of the American Chemical Society","2019","141","31","12246","12250","10.1021/jacs.9b07346","","","0.71073","MoKα","","0.0433","0.0362","","","0.0946","0.1004","","","","","","1.032","","","","has coordinates","221697","2020-10-21","18:00:00",""
"4128617","6.1836","0.0004","31.5163","0.0019","15.3756","0.0009","90","","97.1381","0.0008","90","","2973.2","0.3","88","2","88","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H46 Cl2 O4 -","- C27 H46 Cl2 O4 -","- C108 H184 Cl8 O16 -","4","1","","Thomas, William P.; Schatz, Devon J.; George, David T.; Pronin, Sergey V.","A Radical-Polar Crossover Annulation To Access Terpenoid Motifs.","Journal of the American Chemical Society","2019","141","31","12246","12250","10.1021/jacs.9b07346","","","0.71073","MoKα","","0.0828","0.0621","","","0.1346","0.1438","","","","","","1.062","","","","has coordinates","221698","2020-10-21","18:00:00",""
"4128618","30.2467","0.0004","30.2467","0.0004","40.3458","0.0009","90","","90","","90","","36910.9","1.1","100.01","0.1","100.01","0.1","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","neiti17","","","- C108 H104 Br0.55 Cl1.45 Fe2 Mg N8 O4 P4 -","- C108 H104 Br0.554 Cl1.446 Fe2 Mg N8 O4 P4 -","- C864 H832 Br4.432 Cl11.568 Fe16 Mg8 N64 O32 P32 -","8","1","","Boddie, Theresa E.; Carpenter, Stephanie H.; Baker, Tessa M.; DeMuth, Joshua C.; Cera, Gianpiero; Brennessel, William W.; Ackermann, Lutz; Neidig, Michael L.","Identification and Reactivity of Cyclometalated Iron(II) Intermediates in Triazole-Directed Iron-Catalyzed C-H Activation.","Journal of the American Chemical Society","2019","141","31","12338","12345","10.1021/jacs.9b05269","","x-ray","1.54184","CuKα","","0.0925","0.0587","","","0.15","0.1745","","","","","","1.033","","","","has coordinates,has disorder","221699","2020-10-21","18:00:00",""
"4128619","18.1339","0.0018","10.2597","0.001","25.508","0.003","90","","103.062","0.002","90","","4622.9","0.8","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","neitw13","","","- C60 H52 Fe P2 -","- C60 H52 Fe P2 -","- C240 H208 Fe4 P8 -","4","1","","Boddie, Theresa E.; Carpenter, Stephanie H.; Baker, Tessa M.; DeMuth, Joshua C.; Cera, Gianpiero; Brennessel, William W.; Ackermann, Lutz; Neidig, Michael L.","Identification and Reactivity of Cyclometalated Iron(II) Intermediates in Triazole-Directed Iron-Catalyzed C-H Activation.","Journal of the American Chemical Society","2019","141","31","12338","12345","10.1021/jacs.9b05269","","","0.71073","MoKα","","0.1126","0.0527","","","0.1063","0.1296","","","","","","1.011","","","","has coordinates","221700","2020-10-21","18:00:00",""
"4128620","20.9654","0.0003","22.0142","0.0003","24.361","0.0002","105.257","0.001","98.223","0.001","116.486","0.001","9256.8","0.2","99.9","0.5","99.9","0.5","","","","","","","","9","P -1","-P 1","2","","","","- C146 H182 Br2.81 Cl1.19 Fe2 Mg3 N8 O13 P4 -","- C146 H182 Br2.806 Cl1.194 Fe2 Mg3 N8 O13 P4 -","- C292 H364 Br5.612 Cl2.388 Fe4 Mg6 N16 O26 P8 -","2","1","","Boddie, Theresa E.; Carpenter, Stephanie H.; Baker, Tessa M.; DeMuth, Joshua C.; Cera, Gianpiero; Brennessel, William W.; Ackermann, Lutz; Neidig, Michael L.","Identification and Reactivity of Cyclometalated Iron(II) Intermediates in Triazole-Directed Iron-Catalyzed C-H Activation.","Journal of the American Chemical Society","2019","141","31","12338","12345","10.1021/jacs.9b05269","","x-ray","1.54184","CuKα","","0.0744","0.0601","","","0.1702","0.1797","","","","","","1.106","","","","has coordinates,has disorder","221701","2020-10-21","18:00:00",""
"4128621","10.7125","0.0001","7.9053","0.0001","15.482","0.0001","90","","98.775","0.001","90","","1295.75","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","2","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0334","0.032","","","0.0847","0.0858","","","","","","1.076","","","","has coordinates","221702","2020-10-21","18:00:00",""
"4128622","6.9593","0.0001","7.4662","0.0001","24.7555","0.0002","90","","90","","90","","1286.28","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl N -","- C14 H16 Cl N -","- C56 H64 Cl4 N4 -","4","1","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0254","0.0249","","","0.0658","0.0661","","","","","","1.079","","","","has coordinates","221703","2020-10-21","18:00:00",""
"4128623","17.9521","0.0002","17.9521","0.0002","12.3975","0.0003","90","","90","","90","","3995.44","0.12","100","0.1","100","0.1","","","","","","","","5","P 41","P 4w","76","","2-bromo-3-(naphthalen-2-yl)pent-4-en-1-yl (4-bromophenyl)carbamate","","- C22 H19 Br2 N O2 -","- C22 H19 Br2 N O2 -","- C176 H152 Br16 N8 O16 -","8","2","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0646","0.0569","","","0.1482","0.1535","","","","","","1.072","","","","has coordinates","221704","2020-10-21","18:00:00",""
"4128624","5.55961","0.00005","8.2257","0.00005","13.5491","0.00008","90","","91.2759","0.0007","90","","619.47","0.008","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 N4 -","- C15 H14 N4 -","- C30 H28 N8 -","2","1","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0298","0.0293","","","0.0711","0.0717","","","","","","1.052","","","","has coordinates","221705","2020-10-21","18:00:00",""
"4128625","7.8468","0.0014","8.0192","0.0014","13.739","0.002","90","","95.361","0.004","90","","860.7","0.2","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl N2 O4 -","- C18 H17 Cl N2 O4 -","- C36 H34 Cl2 N4 O8 -","2","1","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","0.71073","MoKα","","0.064","0.0388","","","0.0739","0.0816","","","","","","0.959","","","","has coordinates,has disorder","221706","2020-10-21","18:00:00",""
"4128626","6.2187","0.0002","7.2638","0.0002","27.5254","0.0007","90","","90","","90","","1243.36","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C52 H56 Cl4 N4 O4 -","4","1","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0729","0.0667","","","0.201","0.2104","","","","","","1.09","","","","has coordinates,has disorder","221707","2020-10-21","18:00:00",""
"4128627","5.8128","0.0004","8.5698","0.0006","13.4075","0.0011","83.978","0.006","88.299","0.007","88.26","0.006","663.66","0.09","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C15 H14 Cl2 O -","- C15 H14 Cl2 O -","- C30 H28 Cl4 O2 -","2","2","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0802","0.0712","","","0.1782","0.1845","","","","","","1.042","","","","has coordinates","221708","2020-10-21","18:00:00",""
"4128628","31.3149","0.0011","5.1903","0.0002","22.4457","0.0008","90","","129.034","0.002","90","","2833.8","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 B Cl2 N2 O -","- C13 H15 B Cl2 N2 O -","- C104 H120 B8 Cl16 N16 O8 -","8","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Facile Synthesis of α-N-Heterocyclic Carbene-Boryl Ketones from N-Heterocyclic Carbene-Boranes and Alkenyl Triflates.","Journal of the American Chemical Society","2019","141","31","12355","12361","10.1021/jacs.9b05547","","","1.54178","CuKα","","0.036","0.0326","","","0.1046","0.1083","","","","","","1.303","","","","has coordinates","221709","2020-10-21","18:00:00",""
"4128629","15.5286","0.0015","15.6454","0.0013","18.0654","0.0016","90","","90","","90","","4389","0.7","400","2","400","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.15 Co N4 -","- C102.4 H82.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0923","0.0516","","","0.1227","0.1626","","","","","","1.094","","","","has coordinates,has disorder","221710","2020-10-21","18:00:00",""
"4128630","15.5088","0.0009","15.5888","0.0007","18.0871","0.0009","90","","90","","90","","4372.8","0.4","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.15 Co N4 -","- C102.4 H82.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0708","0.0446","","","0.1232","0.1499","","","","","","1.133","","","","has coordinates,has disorder","221711","2020-10-21","18:00:00",""
"4128631","15.487","0.003","15.52","0.002","18.108","0.003","90","","90","","90","","4352.4","1.2","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0482","0.0307","","","0.08","0.0922","","","","","","1.061","","","","has coordinates,has disorder","221712","2020-10-21","18:00:00",""
"4128632","15.2978","0.0007","15.4168","0.0008","18.1951","0.0008","90","","90","","90","","4291.2","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0363","0.0261","","","0.0714","0.078","","","","","","1.079","","","","has coordinates,has disorder","221713","2020-10-21","18:00:00",""
"4128633","15.2069","0.0007","15.3558","0.0007","18.1389","0.0007","90","","90","","90","","4235.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.4 Co N4 -","- C102.4 H86.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0563","0.0391","","","0.0969","0.1112","","","","","","1.109","","","","has coordinates,has disorder","221714","2020-10-21","18:00:00",""
"4128634","15.342","0.004","15.808","0.003","18.03","0.003","90","","90","","90","","4372.7","1.6","400","2","400","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H5.95 Co N4 -","- C115.2 H95.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0747","0.0432","","","0.1136","0.138","","","","","","1.046","","","","has coordinates,has disorder","221715","2020-10-21","18:00:00",""
"4128635","15.5146","0.0011","15.7585","0.001","18.0597","0.0011","90","","90","","90","","4415.4","0.5","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H5.95 Co N4 -","- C115.2 H95.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.075","0.0466","","","0.1388","0.174","","","","","","1.098","","","","has coordinates,has disorder","221716","2020-10-21","18:00:00",""
"4128636","23.4856","0.0011","23.4856","0.0011","12.4606","0.0006","90","","90","","90","","6872.9","0.6","300","2","300","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C192 H192 Co32 N128 -","32","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0698","0.0425","","","0.1102","0.1347","","","","","","1.046","","","","has coordinates","221717","2020-10-21","18:00:00",""
"4128637","15.4766","0.0013","15.6759","0.0012","18.0353","0.0015","90","","90","","90","","4375.5","0.6","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H6.2 Co N4 -","- C115.2 H99.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0641","0.0436","","","0.119","0.1419","","","","","","1.093","","","","has coordinates,has disorder","221718","2020-10-21","18:00:00",""
"4128638","15.3978","0.0004","15.3546","0.0005","18.1591","0.0005","90","","90","","90","","4293.3","0.2","100","0.4","100","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.48 H5.98 N4 Zn -","- C6.48 H5.98 N4 Zn -","- C103.68 H95.68 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0523","0.0457","","","0.1197","0.125","","","","","","1.112","","","","has coordinates,has disorder","221719","2020-10-21","18:00:00",""
"4128639","23.549","0.005","23.549","0.005","12.446","0.002","90","","90","","90","","6902","2","400","2","400","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C192 H192 Co32 N128 -","32","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0903","0.0411","","","0.1071","0.1359","","","","","","0.961","","","","has coordinates","221720","2020-10-21","18:00:00",""
"4128640","23.4363","0.0006","23.4363","0.0006","12.4615","0.0003","90","","90","","90","","6844.6","0.3","200","2","200","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C192 H192 Co32 N128 -","32","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0579","0.0396","","","0.102","0.1192","","","","","","1.028","","","","has coordinates","221721","2020-10-21","18:00:00",""
"4128641","15.4409","0.0006","15.0978","0.0008","18.2903","0.0009","90","","90","","90","","4263.9","0.4","100","0.4","100","0.4","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.62 H9.12 N4.5 O0.5 Zn -","- C7.62 H9.12 N4.5 O0.5 Zn -","- C121.92 H145.92 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0603","0.0393","","","0.0919","0.1091","","","","","","1.119","","","","has coordinates,has disorder","221722","2020-10-21","18:00:00",""
"4128642","15.1566","0.0012","15.6776","0.0007","18.2216","0.0015","90","","90","","90","","4329.8","0.5","100.1","0.5","100.1","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.9 H9.7 Co N4.5 O0.5 -","- C7.9 H9.7 Co N4.5 O0.5 -","- C126.4 H155.2 Co16 N72 O8 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.1087","0.0687","","","0.1647","0.1919","","","","","","1.112","","","","has coordinates,has disorder","221723","2020-10-21","18:00:00",""
"4128643","15.403","0.0006","15.504","0.0006","18.1233","0.0007","90","","90","","90","","4328","0.3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.4 Co N4 -","- C102.4 H86.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0492","0.0323","","","0.0823","0.0945","","","","","","1.098","","","","has coordinates,has disorder","221724","2020-10-21","18:00:00",""
"4128644","15.0835","0.0007","15.2881","0.0007","18.2031","0.0008","90","","90","","90","","4197.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0357","0.0276","","","0.0654","0.0706","","","","","","1.043","","","","has coordinates,has disorder","221725","2020-10-21","18:00:00",""
"4128645","15.4686","0.0007","15.1468","0.0012","18.2938","0.001","90","","90","","90","","4286.2","0.5","99.9","0.3","99.9","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.78 H9.28 N4.5 O0.5 Zn -","- C7.78 H9.28 N4.5 O0.5 Zn -","- C124.48 H148.48 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0697","0.0434","","","0.1026","0.119","","","","","","1.049","","","","has coordinates,has disorder","221726","2020-10-21","18:00:00",""
"4128646","15.4872","0.0007","15.0774","0.0011","18.3105","0.0008","90","","90","","90","","4275.6","0.4","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.7 H9.2 N4.5 O0.5 Zn -","- C7.7 H9.2 N4.5 O0.5 Zn -","- C123.2 H147.2 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0591","0.0374","","","0.0888","0.1015","","","","","","1.053","","","","has coordinates,has disorder","221727","2020-10-21","18:00:00",""
"4128647","15.4061","0.0008","15.281","0.0011","18.2918","0.0014","90","","90","","90","","4306.3","0.5","100","0.5","100","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.58 H9.54 N4.5 O0.62 Zn -","- C7.58 H9.54 N4.5 O0.625 Zn -","- C121.28 H152.64 N72 O10 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0655","0.0419","","","0.0997","0.1149","","","","","","1.042","","","","has coordinates,has disorder","221728","2020-10-21","18:00:00",""
"4128648","15.4399","0.0004","15.4843","0.0006","18.1529","0.0006","90","","90","","90","","4339.9","0.2","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.68 H6.18 N4 Zn -","- C6.68 H6.18 N4 Zn -","- C106.88 H98.88 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0628","0.0516","","","0.1286","0.1346","","","","","","1.109","","","","has coordinates,has disorder","221729","2020-10-21","18:00:00",""
"4128649","15.282","0.002","15.664","0.002","18.179","0.002","90","","90","","90","","4351.6","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.73 H8.79 Co N4.35 O0.35 -","- C7.73 H8.79 Co N4.35 O0.35 -","- C123.68 H140.64 Co16 N69.6 O5.6 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0552","0.0494","","","0.1463","0.1541","","","","","","1.102","","","","has coordinates,has disorder","221730","2020-10-21","18:00:00",""
"4128650","15.386","0.0007","15.6096","0.0007","18.0571","0.0007","90","","90","","90","","4336.8","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H6.2 Co N4 -","- C115.2 H99.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0602","0.0432","","","0.1155","0.1321","","","","","","1.159","","","","has coordinates,has disorder","221731","2020-10-21","18:00:00",""
"4128651","15.4724","0.0007","15.5973","0.0011","18.1477","0.0008","90","","90","","90","","4379.5","0.4","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.96 H6.46 N4 Zn -","- C6.96 H6.46 N4 Zn -","- C111.36 H103.36 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0671","0.0519","","","0.1301","0.1379","","","","","","1.07","","","","has coordinates,has disorder","221732","2020-10-21","18:00:00",""
"4128652","15.591","0.005","15.606","0.004","18.103","0.005","90","","90","","90","","4405","2","400","2","400","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.071","0.0372","","","0.0993","0.1238","","","","","","1.042","","","","has coordinates,has disorder","221733","2020-10-21","18:00:00",""
"4128653","23.3963","0.0006","23.3963","0.0006","12.4649","0.0003","90","","90","","90","","6823.1","0.3","100","2","100","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C192 H192 Co32 N128 -","32","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0225","0.0204","","","0.0533","0.0577","","","","","","1.123","","","","has coordinates","221734","2020-10-21","18:00:00",""
"4128654","11.3638","0.0012","12.3409","0.0013","15.7074","0.0017","70.623","0.001","88.773","0.001","86.769","0.001","2074.7","0.4","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H47 Cl2 N5 O3 S2 -","- C42 H47 Cl2 N5 O3 S2 -","- C84 H94 Cl4 N10 O6 S4 -","2","1","","Satoh, Yoshiyuki; Catti, Lorenzo; Akita, Munetaka; Yoshizawa, Michito","A Redox-Active Heterocyclic Capsule: Radical Generation, Oxygenation, and Guest Uptake/Release.","Journal of the American Chemical Society","2019","141","31","12268","12273","10.1021/jacs.9b03419","","","0.71073","MoKα","","0.0409","0.0367","","","0.102","0.1053","","","","","","0.999","","","","has coordinates","221735","2020-10-21","18:00:00",""
"4128655","21.6317","0.001","12.2815","0.0005","21.6273","0.001","90","","119.975","0.002","90","","4977.2","0.4","100","2","100","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C88.5 H45.2 O36 Zr6 -","- C88.544 H45.184 O35.9964 Zr5.9994 -","- C88.544 H45.184 O35.9964 Zr5.9994 -","1","0.25","","Chen, Zhijie; Li, Penghao; Wang, Xingjie; Otake, Ken-Ichi; Zhang, Xuan; Robison, Lee; Atilgan, Ahmet; Islamoglu, Timur; Hall, Morgan G.; Peterson, Gregory W.; Stoddart, J. Fraser; Farha, Omar K.","Ligand-Directed Reticular Synthesis of Catalytically Active Missing Zirconium-Based Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","31","12229","12235","10.1021/jacs.9b06179","","","1.54178","CuKα","","0.1602","0.1328","","","0.3947","0.4298","","","","","","1.748","","","","has coordinates,has disorder","221736","2020-10-21","18:00:00",""
"4128656","31.678","0.008","19.591","0.004","31.774","0.01","90","","119.631","0.015","90","","17140","8","275","2","275","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C220 H112 O36 Zr6 -","- C220 H112 O35.9964 Zr5.9994 -","- C220 H112 O35.9964 Zr5.9994 -","1","0.25","","Chen, Zhijie; Li, Penghao; Wang, Xingjie; Otake, Ken-Ichi; Zhang, Xuan; Robison, Lee; Atilgan, Ahmet; Islamoglu, Timur; Hall, Morgan G.; Peterson, Gregory W.; Stoddart, J. Fraser; Farha, Omar K.","Ligand-Directed Reticular Synthesis of Catalytically Active Missing Zirconium-Based Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","31","12229","12235","10.1021/jacs.9b06179","","","1.54178","CuKα","","0.186","0.1327","","","0.3651","0.4351","","","","","","1.541","","","","has coordinates,has disorder","221737","2020-10-21","18:00:00",""
"4128657","28.13","0.003","16.7348","0.0018","28.174","0.003","90","","120.036","0.004","90","","11482","2","275","2","275","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C198 H114 O36 Zr6 -","- C198 H114 O35.997 Zr5.9994 -","- C198 H114 O35.997 Zr5.9994 -","1","0.25","","Chen, Zhijie; Li, Penghao; Wang, Xingjie; Otake, Ken-Ichi; Zhang, Xuan; Robison, Lee; Atilgan, Ahmet; Islamoglu, Timur; Hall, Morgan G.; Peterson, Gregory W.; Stoddart, J. Fraser; Farha, Omar K.","Ligand-Directed Reticular Synthesis of Catalytically Active Missing Zirconium-Based Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","31","12229","12235","10.1021/jacs.9b06179","","","0.71073","MoKα","","0.1876","0.1259","","","0.341","0.3909","","","","","","1.255","","","","has coordinates,has disorder","221738","2020-10-21","18:00:00",""
"4128658","31.4603","0.0019","15.0357","0.0009","20.4599","0.001","90","","104.239","0.004","90","","9380.8","0.9","100","2","100.01","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C87 H74 F24 N10 O P4 -","- C87 H74 F24 N10 O P4 -","- C348 H296 F96 N40 O4 P16 -","4","1","","Roy, Indranil; Bobbala, Sharan; Young, Ryan M.; Beldjoudi, Yassine; Nguyen, Minh T.; Cetin, M. Mustafa; Cooper, James A.; Allen, Sean; Anamimoghadam, Ommid; Scott, Evan A.; Wasielewski, Michael R.; Stoddart, J. Fraser","A Supramolecular Approach for Modulated Photoprotection, Lysosomal Delivery, and Photodynamic Activity of a Photosensitizer.","Journal of the American Chemical Society","2019","141","31","12296","12304","10.1021/jacs.9b03990","","","1.54178","CuKα","","0.1122","0.0925","","","0.2636","0.2865","","","","","","1.038","","","","has coordinates,has disorder","221739","2020-10-21","18:00:00",""
"4128659","27.4401","0.0011","7.2038","0.0003","15.7216","0.0006","90","","90","","90","","3107.7","0.2","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H20 B N O2 -","- C17 H20 B N O2 -","- C136 H160 B8 N8 O16 -","8","2","","Rochette, Étienne; Desrosiers, Vincent; Soltani, Yashar; Fontaine, Frédéric-Georges","Isodesmic C-H Borylation: Perspectives and Proof of Concept of Transfer Borylation Catalysis.","Journal of the American Chemical Society","2019","141","31","12305","12311","10.1021/jacs.9b04305","","x-ray","1.34139","GaKα","","0.0969","0.0964","","","0.245","0.2458","","","","","","1.087","","","","has coordinates","221740","2020-10-21","18:00:00",""
"4128660","17.253","0.012","15.242","0.011","18.394","0.013","90","","103.363","0.012","90","","4706","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Cl3 N S Si -","- C16 H36 Cl3 N S Si -","- C128 H288 Cl24 N8 S8 Si8 -","8","2","","Geeson, Michael B.; Ríos, Pablo; Transue, Wesley J.; Cummins, Christopher C.","Orthophosphate and Sulfate Utilization for C-E (E = P, S) Bond Formation via Trichlorosilyl Phosphide and Sulfide Anions.","Journal of the American Chemical Society","2019","141","15","6375","6384","10.1021/jacs.9b01475","","","0.71073","MoKα","","0.0778","0.0582","","","0.1436","0.158","","","","","","1.032","","","","has coordinates,has disorder","221741","2020-10-21","18:00:00",""
"4128661","13.1805","0.0017","18.929","0.002","19.042","0.002","90","","90","","90","","4750.9","0.9","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C16 H36 N O9 P3 Si0.5 -","- C16 H36 N O9 P3 Si0.5 -","- C128 H288 N8 O72 P24 Si4 -","8","1","","Geeson, Michael B.; Ríos, Pablo; Transue, Wesley J.; Cummins, Christopher C.","Orthophosphate and Sulfate Utilization for C-E (E = P, S) Bond Formation via Trichlorosilyl Phosphide and Sulfide Anions.","Journal of the American Chemical Society","2019","141","15","6375","6384","10.1021/jacs.9b01475","","","0.71073","MoKα","","0.0801","0.043","","","0.089","0.1027","","","","","","1.021","","","","has coordinates","221742","2020-10-21","18:00:00",""
"4128662","7.755","0.002","26.43","0.006","22.349","0.005","90","","90","","90","","4580.8","1.9","150","2","150","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C51 H35 B3 F20 -","- C51 H35 B3 F20 -","- C204 H140 B12 F80 -","4","0.5","","Bamford, Karlee L.; Qu, Zheng-Wang; Stephan, Douglas W.","Activation of H<sub>2</sub> and Et<sub>3</sub>SiH by the Borinium Cation [Mes<sub>2</sub>B]<sup>+</sup>: Avenues to Cations [MesB(μ-H)<sub>2</sub>(μ-Mes)BMes]<sup>+</sup> and [H<sub>2</sub>B(μ-H)(μ-Mes)B(μ-Mes)(μ-H)BH<sub>2</sub>]<sup/>.","Journal of the American Chemical Society","2019","141","15","6180","6184","10.1021/jacs.9b02510","","","0.71073","MoKα","","0.0878","0.0415","","","0.0671","0.0791","","","","","","1.017","","","","has coordinates","221743","2020-10-21","18:00:00",""
"4128663","16.7541","0.0018","20.7321","0.0017","26.318","0.003","90","","90","","90","","9141.5","1.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H32 B4 F22 -","- C48 H32 B4 F22 -","- C384 H256 B32 F176 -","8","1","","Bamford, Karlee L.; Qu, Zheng-Wang; Stephan, Douglas W.","Activation of H<sub>2</sub> and Et<sub>3</sub>SiH by the Borinium Cation [Mes<sub>2</sub>B]<sup>+</sup>: Avenues to Cations [MesB(μ-H)<sub>2</sub>(μ-Mes)BMes]<sup>+</sup> and [H<sub>2</sub>B(μ-H)(μ-Mes)B(μ-Mes)(μ-H)BH<sub>2</sub>]<sup/>.","Journal of the American Chemical Society","2019","141","15","6180","6184","10.1021/jacs.9b02510","","","0.71073","MoKα","","0.0938","0.0535","","","0.1479","0.1862","","","","","","1.065","","","","has coordinates,has disorder","221744","2020-10-21","18:00:00",""
"4128664","11.5182","0.0003","12.6576","0.0004","12.8574","0.0004","79.166","0.002","83.628","0.002","83.716","0.002","1822.18","0.09","128","20","128","20","","","","","","","","6","P 1","P 1","1","","","","- C66 H56 Br4 Fe2 N4 O6 -","- C66 H56 Br4 Fe2 N4 O6 -","- C66 H56 Br4 Fe2 N4 O6 -","1","1","","Lu, Ran; Cao, Liya; Guan, Honghao; Liu, Lei","Iron-Catalyzed Aerobic Dehydrogenative Kinetic Resolution of Cyclic Secondary Amines.","Journal of the American Chemical Society","2019","141","15","6318","6324","10.1021/jacs.9b00615","","x-ray","1.54184","CuKα","","0.0662","0.0607","","","0.1715","0.1808","","","","","","1.086","","","","has coordinates","221745","2020-10-21","18:00:00",""
"4128665","11.3961","0.0008","12.6727","0.0009","12.8895","0.001","80.061","0.006","84.9","0.006","84.005","0.006","1818.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C70 H71 Br4 Fe2 N11 O6 -","- C70 H71 Br4 Fe2 N11 O6 -","- C70 H71 Br4 Fe2 N11 O6 -","1","1","","Lu, Ran; Cao, Liya; Guan, Honghao; Liu, Lei","Iron-Catalyzed Aerobic Dehydrogenative Kinetic Resolution of Cyclic Secondary Amines.","Journal of the American Chemical Society","2019","141","15","6318","6324","10.1021/jacs.9b00615","","x-ray","1.54184","CuKα","","0.0483","0.0469","","","0.1266","0.1283","","","","","","1.072","","","","has coordinates","221746","2020-10-21","18:00:00",""
"4128666","13.2294","0.0001","7.4619","0.0001","14.9668","0.0001","90","","110.554","0.001","90","","1383.42","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H15 N -","- C18 H15 N -","- C72 H60 N4 -","4","2","","Lu, Fu-Dong; Liu, Dan; Zhu, Lei; Lu, Liang-Qiu; Yang, Qian; Zhou, Quan-Quan; Wei, Yi; Lan, Yu; Xiao, Wen-Jing","Asymmetric Propargylic Radical Cyanation Enabled by Dual Organophotoredox and Copper Catalysis.","Journal of the American Chemical Society","2019","141","15","6167","6172","10.1021/jacs.9b02338","","x-ray","1.54184","CuKα","","0.0344","0.0341","","","0.0918","0.0921","","","","","","1.042","","","","has coordinates","221747","2020-10-21","18:00:00",""
"4128667","11.7362","0.0019","15.51","0.002","12.1799","0.0019","90","","98.288","0.002","90","","2193.9","0.6","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N O2 Pt S -","- C28 H19 N O2 Pt S -","- C112 H76 N4 O8 Pt4 S4 -","4","1","","Sun, Meng-Jia; Liu, Yingying; Zeng, Wei; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","Photoluminescent Anisotropy Amplification in Polymorphic Organic Nanocrystals by Light-Harvesting Energy Transfer.","Journal of the American Chemical Society","2019","141","15","6157","6161","10.1021/jacs.9b02055","","","0.71073","MoKα","","0.0348","0.0337","","","0.0838","0.0846","","","","","","1.142","","","","has coordinates","221748","2020-10-21","18:00:00",""
"4128668","9.3194","0.0002","10.2399","0.0002","12.4624","0.0003","76.398","0.002","84.63","0.002","69.717","0.002","1084.16","0.04","169.99","0.1","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 F2 N O2 Pt -","- C27 H19 F2 N O2 Pt -","- C54 H38 F4 N2 O4 Pt2 -","2","1","","Sun, Meng-Jia; Liu, Yingying; Zeng, Wei; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","Photoluminescent Anisotropy Amplification in Polymorphic Organic Nanocrystals by Light-Harvesting Energy Transfer.","Journal of the American Chemical Society","2019","141","15","6157","6161","10.1021/jacs.9b02055","","x-ray","1.54178","CuKα","","0.0334","0.0291","","","0.0766","0.0791","","","","","","1.048","","","","has coordinates","221749","2020-10-21","18:00:00",""
"4128669","14.468","0.003","7.3753","0.0015","20.436","0.004","90","","101.48","0.03","90","","2137","0.8","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 F2 N O2 Pt -","- C27 H19 F2 N O2 Pt -","- C108 H76 F8 N4 O8 Pt4 -","4","1","","Sun, Meng-Jia; Liu, Yingying; Zeng, Wei; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","Photoluminescent Anisotropy Amplification in Polymorphic Organic Nanocrystals by Light-Harvesting Energy Transfer.","Journal of the American Chemical Society","2019","141","15","6157","6161","10.1021/jacs.9b02055","","","0.71073","MoKα","","0.0729","0.0627","","","0.1133","0.1186","","","","","","1.132","","","","has coordinates","221750","2020-10-21","18:00:00",""
"4128670","14.4681","0.0002","7.3806","0.0001","20.4113","0.0003","90","","101.399","0.001","90","","2136.59","0.05","169.99","0.11","169.99","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 F2 N O2 Pt -","- C27 H19 F2 N O2 Pt -","- C108 H76 F8 N4 O8 Pt4 -","4","1","","Sun, Meng-Jia; Liu, Yingying; Zeng, Wei; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","Photoluminescent Anisotropy Amplification in Polymorphic Organic Nanocrystals by Light-Harvesting Energy Transfer.","Journal of the American Chemical Society","2019","141","15","6157","6161","10.1021/jacs.9b02055","","x-ray","1.54178","CuKα","","0.0309","0.0249","","","0.0629","0.0648","","","","","","1.103","","","","has coordinates","221751","2020-10-21","18:00:00",""
"4128671","9.3111","0.0002","10.2403","0.0002","12.4557","0.0003","76.428","0.002","84.596","0.002","69.771","0.002","1083.15","0.04","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 F2 N O2 Pt -","- C27 H19 F2 N O2 Pt -","- C54 H38 F4 N2 O4 Pt2 -","2","1","","Sun, Meng-Jia; Liu, Yingying; Zeng, Wei; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","Photoluminescent Anisotropy Amplification in Polymorphic Organic Nanocrystals by Light-Harvesting Energy Transfer.","Journal of the American Chemical Society","2019","141","15","6157","6161","10.1021/jacs.9b02055","","","0.71073","MoKα","","0.0237","0.0218","","","0.0492","0.0502","","","","","","1.058","","","","has coordinates","221752","2020-10-21","18:00:00",""
"4128672","8.322","0.002","17.969","0.004","18.785","0.004","90","","93.483","0.004","90","","2803.9","1.1","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C120 H160 N16 O24 -","8","2","","Zhu, Jie S.; Li, Clarabella J.; Tsui, Ka Yi; Kraemer, Niklas; Son, Jung-Ho; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J.","Accessing Multiple Classes of 2 H-Indazoles: Mechanistic Implications for the Cadogan and Davis-Beirut Reactions.","Journal of the American Chemical Society","2019","141","15","6247","6253","10.1021/jacs.8b13481","","","0.71073","MoKα","","0.077","0.0593","","","0.1819","0.2312","","","","","","1.061","","","","has coordinates","221753","2020-10-21","18:00:00",""
"4128673","10.5923","0.0009","11.7189","0.001","18.6587","0.0017","97.374","0.002","90.086","0.002","99.864","0.002","2262.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C104 H128 N16 O8 -","8","4","","Zhu, Jie S.; Li, Clarabella J.; Tsui, Ka Yi; Kraemer, Niklas; Son, Jung-Ho; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J.","Accessing Multiple Classes of 2 H-Indazoles: Mechanistic Implications for the Cadogan and Davis-Beirut Reactions.","Journal of the American Chemical Society","2019","141","15","6247","6253","10.1021/jacs.8b13481","","","0.71073","MoKα","","0.0616","0.045","","","0.0768","0.0797","","","","","","1.743","","","","has coordinates","221754","2020-10-21","18:00:00",""
"4128674","6.1799","0.0009","8.3702","0.0013","9.1069","0.0014","90","","106.537","0.002","90","","451.59","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C20 H24 N4 O2 -","2","1","","Zhu, Jie S.; Li, Clarabella J.; Tsui, Ka Yi; Kraemer, Niklas; Son, Jung-Ho; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J.","Accessing Multiple Classes of 2 H-Indazoles: Mechanistic Implications for the Cadogan and Davis-Beirut Reactions.","Journal of the American Chemical Society","2019","141","15","6247","6253","10.1021/jacs.8b13481","","","0.71073","MoKα","","0.0382","0.0381","","","0.0983","0.0984","","","","","","1.262","","","","has coordinates","221755","2020-10-21","18:00:00",""
"4128675","8.8193","0.0011","10.9345","0.0012","11.7593","0.0012","95.837","0.004","91.786","0.004","109.762","0.003","1059.1","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 Br2 -","- C30 H20 Br2 -","- C60 H40 Br4 -","2","1","","Zou, Ya; Zeng, Wangdong; Gopalakrishna, Tullimilli Y.; Han, Yi; Jiang, Qing; Wu, Jishan","Dicyclopenta[4,3,2,1- ghi:4',3',2',1'- pqr]perylene: A Bowl-Shaped Fragment of Fullerene C<sub>70</sub> with Global Antiaromaticity.","Journal of the American Chemical Society","2019","141","18","7266","7270","10.1021/jacs.9b03169","","","0.71073","MoKα","","0.0278","0.0225","","","0.0537","0.0556","","","","","","1.072","","","","has coordinates","221756","2020-10-21","18:00:00",""
"4128676","21.6386","0.0015","15.0626","0.001","22.67","0.0016","90","","117.681","0.003","90","","6543.2","0.8","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C45.33 H46.67 -","- C45.3333 H46.6667 -","- C272 H280 -","6","1.5","","Zou, Ya; Zeng, Wangdong; Gopalakrishna, Tullimilli Y.; Han, Yi; Jiang, Qing; Wu, Jishan","Dicyclopenta[4,3,2,1- ghi:4',3',2',1'- pqr]perylene: A Bowl-Shaped Fragment of Fullerene C<sub>70</sub> with Global Antiaromaticity.","Journal of the American Chemical Society","2019","141","18","7266","7270","10.1021/jacs.9b03169","","","1.54178","CuKα","","0.0545","0.0493","","","0.1493","0.1581","","","","","","0.876","","","","has coordinates,has disorder","221757","2020-10-21","18:00:00",""
"4128677","12.265","0.002","24.523","0.005","22.176","0.006","90","","121.94","0.02","90","","5660","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H51 Cl8 Ir O P4 -","- C55 H51 Cl8 Ir O P4 -","- C220 H204 Cl32 Ir4 O4 P16 -","4","1","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.1044","0.0693","","","0.1415","0.1575","","","","","","1.017","","","","has coordinates","221758","2020-10-21","18:00:00",""
"4128678","23.3229","0.0007","16.5703","0.0005","25.209","0.0007","90","","90","","90","","9742.5","0.5","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C52 H48 B Br Cl3 Ir O P4 -","- C52 H48 B Br Cl3 Ir O P4 -","- C416 H384 B8 Br8 Cl24 Ir8 O8 P32 -","8","1","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.075","0.0522","","","0.1311","0.1492","","","","","","1.159","","","","has coordinates","221759","2020-10-21","18:00:00",""
"4128679","10.6032","0.0017","11.7641","0.0018","12.732","0.003","97.86","0.007","109.324","0.007","107.162","0.005","1382.7","0.5","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H30 Cl2 Ir N O P2 -","- C29 H30 Cl2 Ir N O P2 -","- C58 H60 Cl4 Ir2 N2 O2 P4 -","2","1","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.014","0.0132","","","0.0332","0.0335","","","","","","1.038","","","","has coordinates","221760","2020-10-21","18:00:00",""
"4128680","41.384","0.003","12.1155","0.0007","32.3933","0.0019","90","","109.788","0.002","90","","15282.6","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C156.4 H138.8 Cl11.8 Ir3 O3 P12 -","- C156.4 H138.8 Cl11.8 Ir3 O3 P12 -","- C625.6 H555.2 Cl47.2 Ir12 O12 P48 -","4","0.5","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.0738","0.0685","","","0.1909","0.1939","","","","","","1.185","","","","has coordinates,has disorder","221761","2020-10-21","18:00:00",""
"4128681","14.0605","0.0006","14.4113","0.0006","19.6677","0.0009","88.181","0.002","79.515","0.002","63.887","0.001","3513.5","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H33 Cl4 Ir N2 O P2 -","- C33 H33 Cl4 Ir N2 O P2 -","- C132 H132 Cl16 Ir4 N8 O4 P8 -","4","2","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.0324","0.0248","","","0.0497","0.0519","","","","","","1.033","","","","has coordinates","221762","2020-10-21","18:00:00",""
"4128682","15.2943","0.001","16.0822","0.001","17.6097","0.0012","108.002","0.002","92.021","0.002","109.271","0.0019","3842.8","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","lmcdp233","","","- C32 H27 Cl Ir N O P2 -","- C32 H27 Cl Ir N O P2 -","- C128 H108 Cl4 Ir4 N4 O4 P8 -","4","4","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.0732","0.0563","","","0.131","0.1421","","","","","","1.046","","","","has coordinates,has disorder","221763","2020-10-21","18:00:00",""
"4128683","9.6658","0.0004","14.2713","0.0007","14.767","0.0007","107.989","0.002","96.128","0.002","104.806","0.002","1834.52","0.15","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C41.75 H38 Cl Ir O P2 -","- C41.75 H38 Cl Ir O P2 -","- C83.5 H76 Cl2 Ir2 O2 P4 -","2","1","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.0312","0.0273","","","0.0662","0.068","","","","","","1.061","","","","has coordinates,has disorder","221764","2020-10-21","18:00:00",""
"4128684","45.122","0.006","45.122","0.006","49.238","0.01","90","","90","","120","","86818","2","173","2","173","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C182.67 H102 O60 P3 Zr9 -","- C183 H102 O60 P3 Zr9 -","- C1098 H612 O360 P18 Zr54 -","6","1","","Gong, Wei; Chen, Xu; Jiang, Hong; Chu, Dandan; Cui, Yong; Liu, Yan","Highly Stable Zr(IV)-Based Metal-Organic Frameworks with Chiral Phosphoric Acids for Catalytic Asymmetric Tandem Reactions.","Journal of the American Chemical Society","2019","141","18","7498","7508","10.1021/jacs.9b02294","","","0.71073","MoKα","","0.1213","0.0872","","","0.2634","0.2897","","","","","","0.964","","","","has coordinates","221765","2020-10-21","18:00:00",""
"4128685","38.1622","0.0009","38.1622","0.0009","45.5859","0.0015","90","","90","","120","","57495","3","173","2","173","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C135 H78 O60 P3 Zr9 -","- C135 H78 O60 P3 Zr9 -","- C810 H468 O360 P18 Zr54 -","6","0.5","","Gong, Wei; Chen, Xu; Jiang, Hong; Chu, Dandan; Cui, Yong; Liu, Yan","Highly Stable Zr(IV)-Based Metal-Organic Frameworks with Chiral Phosphoric Acids for Catalytic Asymmetric Tandem Reactions.","Journal of the American Chemical Society","2019","141","18","7498","7508","10.1021/jacs.9b02294","","","1.54178","CuKα","","0.1096","0.0755","","","0.1676","0.1797","","","","","","1.026","","","","has coordinates","221766","2020-10-21","18:00:00",""
"4128686","6.2029","0.0001","8.504","0.0001","16.5123","0.0002","90","","97.283","0.001","90","","863.99","0.02","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H18 F N O2 S -","- C20 H18 F N O2 S -","- C40 H36 F2 N2 O4 S2 -","2","1","","Xu, Meng-Yu; Jiang, Wei-Tao; Li, Ying; Xu, Qing-Hao; Zhou, Qiao-Lan; Yang, Shuo; Xiao, Bin","Alkyl Carbagermatranes Enable Practical Palladium-Catalyzed sp<sup>2</sup>-sp<sup>3</sup> Cross-Coupling.","Journal of the American Chemical Society","2019","141","18","7582","7588","10.1021/jacs.9b02776","","","1.54184","CuKα","","0.0561","0.055","","","0.1561","0.158","","","","","","1.062","","","","has coordinates,has disorder","221767","2020-10-21","18:00:00",""
"4128687","7.3844","0.0001","11.767","0.0003","24.0742","0.0005","90","","90","","90","","2091.86","0.07","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 F Ge N -","- C23 H30 F Ge N -","- C92 H120 F4 Ge4 N4 -","4","1","","Xu, Meng-Yu; Jiang, Wei-Tao; Li, Ying; Xu, Qing-Hao; Zhou, Qiao-Lan; Yang, Shuo; Xiao, Bin","Alkyl Carbagermatranes Enable Practical Palladium-Catalyzed sp<sup>2</sup>-sp<sup>3</sup> Cross-Coupling.","Journal of the American Chemical Society","2019","141","18","7582","7588","10.1021/jacs.9b02776","","","1.54184","CuKα","","0.0444","0.0398","","","0.0976","0.1015","","","","","","1.053","","","","has coordinates","221768","2020-10-21","18:00:00",""
"4128688","8.5255","0.0006","10.9187","0.0009","26.122","0.003","90","","90","","90","","2431.6","0.4","295.6","0.2","295.6","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N O3 S -","- C28 H29 N O3 S -","- C112 H116 N4 O12 S4 -","4","1","","Tian, Zhi-Xiong; Qiao, Jin-Bao; Xu, Guang-Li; Pang, Xiaobo; Qi, Liangliang; Ma, Wei-Yuan; Zhao, Zhen-Zhen; Duan, Jicheng; Du, Yun-Fei; Su, Peifeng; Liu, Xue-Yuan; Shu, Xing-Zhong","Highly Enantioselective Cross-Electrophile Aryl-Alkenylation of Unactivated Alkenes.","Journal of the American Chemical Society","2019","141","18","7637","7643","10.1021/jacs.9b03863","","","1.54184","CuKα","","0.1101","0.073","","","0.1894","0.2606","","","","","","1.121","","","","has coordinates","221769","2020-10-21","18:00:00",""
"4128689","14.638","0.003","21.545","0.005","21.633","0.005","115.86","0.03","91.04","0.02","101.68","0.02","5968","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C149 H121.5 Cl7.5 N2 O8 -","- C148.994 H121.495 Cl7.499 N2 O8 -","- C297.988 H242.99 Cl14.998 N4 O16 -","2","1","","Senthilkumar, Kabali; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Cybińska, Joanna; Zafra, José L; Casado, Juan; Vives, Thomas; Crassous, Jeanne; Favereau, Ludovic; Stępień, Marcin","Lemniscular [16]Cycloparaphenylene: A Radially Conjugated Figure-Eight Aromatic Molecule.","Journal of the American Chemical Society","2019","141","18","7421","7427","10.1021/jacs.9b01797","","","0.71073","MoKα","","0.1021","0.0708","","","0.1797","0.2063","","","","","","1.022","","","","has coordinates,has disorder","221770","2020-10-21","18:00:00",""
"4128690","11.357","0.003","19.873","0.006","24.561","0.005","90","","92.26","0.03","90","","5539","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.35 H66.5 B4 Cl2.9 N2 O8.9 -","- C50.35 H66.5 B4 Cl2.9 N2 O8.9 -","- C201.4 H266 B16 Cl11.6 N8 O35.6 -","4","1","","Senthilkumar, Kabali; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Cybińska, Joanna; Zafra, José L; Casado, Juan; Vives, Thomas; Crassous, Jeanne; Favereau, Ludovic; Stępień, Marcin","Lemniscular [16]Cycloparaphenylene: A Radially Conjugated Figure-Eight Aromatic Molecule.","Journal of the American Chemical Society","2019","141","18","7421","7427","10.1021/jacs.9b01797","","","0.71073","MoKα","","0.1115","0.0922","","","0.2528","0.274","","","","","","1.107","","","","has coordinates,has disorder","221771","2020-10-21","18:00:00",""
"4128691","12.044","0.002","12.843","0.002","15.312","0.003","111.06","0.02","97.93","0.02","92.75","0.02","2176.9","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 Br4 N2 -","- C24 H12 Br4 N2 -","- C96 H48 Br16 N8 -","4","2","","Senthilkumar, Kabali; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Cybińska, Joanna; Zafra, José L; Casado, Juan; Vives, Thomas; Crassous, Jeanne; Favereau, Ludovic; Stępień, Marcin","Lemniscular [16]Cycloparaphenylene: A Radially Conjugated Figure-Eight Aromatic Molecule.","Journal of the American Chemical Society","2019","141","18","7421","7427","10.1021/jacs.9b01797","","","0.71073","MoKα","","0.0698","0.0534","","","0.1305","0.1489","","","","","","1.075","","","","has coordinates","221772","2020-10-21","18:00:00",""
"4128692","11.8361","0.0002","17.0449","0.0003","13.5799","0.0002","90","","94.612","0.001","90","","2730.81","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 B2 N2 -","- C34 H38 B2 N2 -","- C136 H152 B8 N8 -","4","1","","Liu, Kanglei; Lalancette, Roger A.; Jäkle, Frieder","Tuning the Structure and Electronic Properties of B-N Fused Dipyridylanthracene and Implications on the Self-Sensitized Reactivity with Singlet Oxygen.","Journal of the American Chemical Society","2019","141","18","7453","7462","10.1021/jacs.9b01958","","","1.54178","CuKα","","0.0434","0.0373","","","0.0909","0.0951","","","","","","1.028","","","","has coordinates","221773","2020-10-21","18:00:00",""
"4128693","11.2307","0.0005","18.6067","0.0009","15.1051","0.0007","90","","99.152","0.003","90","","3116.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H40 B2 Cl2 N2 -","- C35 H40 B2 Cl2 N2 -","- C140 H160 B8 Cl8 N8 -","4","2","","Liu, Kanglei; Lalancette, Roger A.; Jäkle, Frieder","Tuning the Structure and Electronic Properties of B-N Fused Dipyridylanthracene and Implications on the Self-Sensitized Reactivity with Singlet Oxygen.","Journal of the American Chemical Society","2019","141","18","7453","7462","10.1021/jacs.9b01958","","","1.54178","CuKα","","0.0782","0.0686","","","0.1945","0.2023","","","","","","1.04","","","","has coordinates","221774","2020-10-21","18:00:00",""
"4128694","19.979","0.004","8.1877","0.0016","14.542","0.003","90","","90","","90","","2378.8","0.8","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C21 H34 Cl N O2 P2 Ru -","- C21 H34 Cl N O2 P2 Ru -","- C84 H136 Cl4 N4 O8 P8 Ru4 -","4","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.0147","0.0142","","","0.0354","0.0356","","","","","","1.033","","","","has coordinates,has disorder","221775","2020-10-21","18:00:00",""
"4128695","14.9454","0.0005","13.329","0.0005","15.2365","0.0005","90","","114.46","0.001","90","","2762.81","0.17","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Cl N O2 P2 Ru -","- C25 H42 Cl N O2 P2 Ru -","- C100 H168 Cl4 N4 O8 P8 Ru4 -","4","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.044","0.0323","","","0.0806","0.0876","","","","","","1.055","","","","has coordinates","221775","2020-10-21","18:00:00",""
"4128696","8.0794","0.0002","11.8473","0.0003","16.5367","0.0004","78.74","0.002","81.335","0.002","71.41","0.002","1464.74","0.07","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C23 H37 Cl F3 N O5 P2 Ru S -","- C23 H37 Cl F3 N O5 P2 Ru S -","- C46 H74 Cl2 F6 N2 O10 P4 Ru2 S2 -","2","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.027","0.0239","","","0.0563","0.0574","","","","","","1.032","","","","has coordinates,has disorder","221775","2020-10-21","18:00:00",""
"4128697","8.2741","0.0002","10.9141","0.0002","16.1941","0.0005","102.467","0.002","96.796","0.002","108.34","0.002","1327.73","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Cl N O3 P2 Ru -","- C24 H40 Cl N O3 P2 Ru -","- C48 H80 Cl2 N2 O6 P4 Ru2 -","2","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.0505","0.0382","","","0.0908","0.0969","","","","","","1.084","","","","has coordinates,has disorder","221775","2020-10-21","18:00:00",""
"4128698","8.4532","0.0003","12.2712","0.0003","16.5682","0.0004","102.398","0.002","103.639","0.002","92.35","0.002","1623.6","0.08","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H46 F3 N O5 P2 Ru S -","- C27 H46 F3 N O5 P2 Ru S -","- C54 H92 F6 N2 O10 P4 Ru2 S2 -","2","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.043","0.0371","","","0.0761","0.0775","","","","","","1.209","","","","has coordinates,has disorder","221775","2020-10-21","18:00:00",""
"4128699","12.2611","0.0005","15.6139","0.0005","15.0481","0.0006","90","","109.982","0.004","90","","2707.43","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H43 N O2 P2 Ru -","- C25 H43 N O2 P2 Ru -","- C100 H172 N4 O8 P8 Ru4 -","4","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.0337","0.0272","","","0.0656","0.0687","","","","","","1.048","","","","has coordinates","221775","2020-10-21","18:00:00",""
"4128700","11.3756","0.0017","39.096","0.006","11.5017","0.0018","90","","96.094","0.004","90","","5086.4","1.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C105 H126 Cl2 Co2 O4.5 P6 -","- C105 H126 Cl2 Co2 O4.5 P6 -","- C210 H252 Cl4 Co4 O9 P12 -","2","1","","Duvvuri, Krishnaja; Dewese, Kendra R.; Parsutkar, Mahesh M.; Jing, Stanley M.; Mehta, Milauni M.; Gallucci, Judith C.; RajanBabu, T. V.","Cationic Co(I)-Intermediates for Hydrofunctionalization Reactions: Regio- and Enantioselective Cobalt-Catalyzed 1,2-Hydroboration of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","18","7365","7375","10.1021/jacs.8b13812","","x-ray","0.71073","MoKα","","0.0765","0.0727","","","0.1856","0.1878","","","","","","1.108","","","","has coordinates","221777","2020-10-21","18:00:00",""
"4128701","21.4598","0.0009","21.5413","0.0009","23.7245","0.001","66.439","0.001","66.401","0.001","71.722","0.001","9056.8","0.7","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H78 Cl2 Co2 P6 -","- C81 H78 Cl2 Co2 P6 -","- C324 H312 Cl8 Co8 P24 -","4","2","","Duvvuri, Krishnaja; Dewese, Kendra R.; Parsutkar, Mahesh M.; Jing, Stanley M.; Mehta, Milauni M.; Gallucci, Judith C.; RajanBabu, T. V.","Cationic Co(I)-Intermediates for Hydrofunctionalization Reactions: Regio- and Enantioselective Cobalt-Catalyzed 1,2-Hydroboration of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","18","7365","7375","10.1021/jacs.8b13812","","x-ray","0.71073","MoKα","","0.0644","0.0422","","","0.1056","0.1171","","","","","","1.025","","","","has coordinates","221778","2020-10-21","18:00:00",""
"4128702","8.3679","0.0002","9.3117","0.0004","10.5715","0.0004","68.047","0.004","81.979","0.003","65.376","0.003","694.39","0.05","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 Fe2 O10 -","- C24 H38 Fe2 O10 -","- C24 H38 Fe2 O10 -","1","0.5","","Kim, Dongyoung; Rahaman, S. M. Wahidur; Mercado, Brandon Q.; Poli, Rinaldo; Holland, Patrick L.","Roles of Iron Complexes in Catalytic Radical Alkene Cross-Coupling: A Computational and Mechanistic Study.","Journal of the American Chemical Society","2019","141","18","7473","7485","10.1021/jacs.9b02117","","","0.71073","MoKα","","0.0244","0.0229","","","0.0618","0.0623","","","","","","1.105","","","","has coordinates","221779","2020-10-21","18:00:00",""
"4128703","6.2087","0.0008","6.2087","0.0008","6.2087","0.0008","90","","90","","90","","239.33","0.05","330","","330","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C6 H12 N O4 Re -","- C6.9996 O3.9996 Re -","- C6.9996 O3.9996 Re -","1","0.0208333","","Harada, Jun; Kawamura, Yuto; Takahashi, Yukihiro; Uemura, Yohei; Hasegawa, Tatsuo; Taniguchi, Hiroki; Maruyama, Koji","Plastic/Ferroelectric Crystals with Easily Switchable Polarization: Low-Voltage Operation, Unprecedentedly High Pyroelectric Performance, and Large Piezoelectric Effect in Polycrystalline Forms.","Journal of the American Chemical Society","2019","141","23","9349","9357","10.1021/jacs.9b03369","","","0.71073","MoKα","","0.0246","0.0237","","","0.0655","0.066","","","","","","1.223","","","","has coordinates","221780","2020-10-21","18:00:00",""
"4128704","6.1776","0.0007","6.1776","0.0007","6.1776","0.0007","89.846","0.001","89.846","0.001","89.846","0.001","235.75","0.05","300","","300","","","","","","","","","5","R 3 m :R","P 3* -2","160","","","","- C6 H12 N O4 Re -","- C6 H12.0001 N O4 Re -","- C6 H12.0001 N O4 Re -","1","0.166667","","Harada, Jun; Kawamura, Yuto; Takahashi, Yukihiro; Uemura, Yohei; Hasegawa, Tatsuo; Taniguchi, Hiroki; Maruyama, Koji","Plastic/Ferroelectric Crystals with Easily Switchable Polarization: Low-Voltage Operation, Unprecedentedly High Pyroelectric Performance, and Large Piezoelectric Effect in Polycrystalline Forms.","Journal of the American Chemical Society","2019","141","23","9349","9357","10.1021/jacs.9b03369","","","0.71073","MoKα","","0.0168","0.0168","","","0.0415","0.0415","","","","","","1.171","","","","has coordinates,has disorder","221780","2020-10-21","18:00:00",""
"4128705","6.218","0.01","6.218","0.01","6.218","0.01","90","","90","","90","","240.4","0.7","270","","270","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C6 H12 I N O4 -","- C6.9996 I O3.9996 -","- C6.9996 I O3.9996 -","1","0.0208333","","Harada, Jun; Kawamura, Yuto; Takahashi, Yukihiro; Uemura, Yohei; Hasegawa, Tatsuo; Taniguchi, Hiroki; Maruyama, Koji","Plastic/Ferroelectric Crystals with Easily Switchable Polarization: Low-Voltage Operation, Unprecedentedly High Pyroelectric Performance, and Large Piezoelectric Effect in Polycrystalline Forms.","Journal of the American Chemical Society","2019","141","23","9349","9357","10.1021/jacs.9b03369","","","0.71073","MoKα","","0.0497","0.048","","","0.1151","0.1153","","","","","","1.311","","","","has coordinates","221780","2020-10-21","18:00:00",""
"4128706","8.3171","0.0009","8.7877","0.0011","17.784","0.002","90.246","0.006","98.944","0.006","103.627","0.006","1246.7","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H64 Si2 -","- C64 H64 Si2 -","- C64 H64 Si2 -","1","0.5","","Jousselin-Oba, Tanguy; Mamada, Masashi; Marrot, Jérôme; Maignan, Antoine; Adachi, Chihaya; Yassar, Abderrahim; Frigoli, Michel","Excellent Semiconductors Based on Tetracenotetracene and Pentacenopentacene: From Stable Closed-Shell to Singlet Open-Shell.","Journal of the American Chemical Society","2019","141","23","9373","9381","10.1021/jacs.9b03488","","","0.71073","MoKα","","0.0842","0.0667","","","0.1639","0.1792","","","","","","1.042","","","","has coordinates","221781","2020-10-21","18:00:00",""
"4128707","9.892","0.002","19.639","0.004","10.615","0.002","90","","106.64","0.03","90","","1975.8","0.7","128.15","","128.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H50 N6 O7 -","- C41 H50 N6 O7 -","- C82 H100 N12 O14 -","2","1","","Li, Bo; Li, Xinghua; Han, Boyang; Chen, Zhijie; Zhang, Xuekai; He, Gang; Chen, Gong","Construction of Natural-Product-Like Cyclophane-Braced Peptide Macrocycles via sp<sup>3</sup> C-H Arylation.","Journal of the American Chemical Society","2019","141","23","9401","9407","10.1021/jacs.9b04221","","","0.71073","MoKα","","0.0619","0.043","","","0.0807","0.09","","","","","","0.952","","","","has coordinates","221782","2020-10-21","18:00:00",""
"4128708","21.355","0.0001","12.8409","0.0001","11.1411","0.0001","90","","90","","90","","3055.08","0.04","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C30.5 H36 Cl N5 O6 -","- C30.5 H36 Cl N5 O6 -","- C122 H144 Cl4 N20 O24 -","4","1","","Li, Bo; Li, Xinghua; Han, Boyang; Chen, Zhijie; Zhang, Xuekai; He, Gang; Chen, Gong","Construction of Natural-Product-Like Cyclophane-Braced Peptide Macrocycles via sp<sup>3</sup> C-H Arylation.","Journal of the American Chemical Society","2019","141","23","9401","9407","10.1021/jacs.9b04221","","x-ray","1.54184","CuKα","","0.0413","0.0404","","","0.1199","0.1209","","","","","","1.069","","","","has coordinates,has disorder","221783","2020-10-21","18:00:00",""
"4128709","11.2412","0.0001","10.5448","0.0001","17.0505","0.0001","90","","107.124","0.001","90","","1931.51","0.03","294","2","294.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H50 N6 O6 -","- C39 H50 N6 O6 -","- C78 H100 N12 O12 -","2","1","","Li, Bo; Li, Xinghua; Han, Boyang; Chen, Zhijie; Zhang, Xuekai; He, Gang; Chen, Gong","Construction of Natural-Product-Like Cyclophane-Braced Peptide Macrocycles via sp<sup>3</sup> C-H Arylation.","Journal of the American Chemical Society","2019","141","23","9401","9407","10.1021/jacs.9b04221","","x-ray","1.54184","CuKα","","0.0331","0.0322","","","0.0929","0.0939","","","","","","1.039","","","","has coordinates","221784","2020-10-21","18:00:00",""
"4128710","7.247","0.002","10.734","0.003","10.837","0.003","82.378","0.003","86.98","0.003","87.899","0.003","834","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N2 O4 S -","- C16 H22 N2 O4 S -","- C32 H44 N4 O8 S2 -","2","1","","Li, Hongze; Shen, Shou-Jie; Zhu, Cheng-Liang; Xu, Hao","Direct Intermolecular Anti-Markovnikov Hydroazidation of Unactivated Olefins.","Journal of the American Chemical Society","2019","141","23","9415","9421","10.1021/jacs.9b04381","","","0.71073","MoKα","","0.0882","0.083","","","0.2466","0.2523","","","","","","1.084","","","","has coordinates","221785","2020-10-21","18:00:00",""
"4128711","9.2727","0.0017","12.891","0.002","5.4962","0.0012","90","","90.015","0.007","90","","657","0.2","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H2 Co3 O10 -","- C8 H2 Co3 O10 -","- C16 H4 Co6 O20 -","2","0.25","","Li, Liangying; Guo, Lidong; Zhang, Zhiguo; Yang, Qiwei; Yang, Yiwen; Bao, Zongbi; Ren, Qilong; Li, Jing","A Robust Squarate-Based Metal-Organic Framework Demonstrates Record-High Affinity and Selectivity for Xenon over Krypton.","Journal of the American Chemical Society","2019","141","23","9358","9364","10.1021/jacs.9b03422","","","0.71073","MoKα","","0.0202","0.0194","","","0.0523","0.0527","","","","","","1.009","","","","has coordinates","221786","2020-10-21","18:00:00",""
"4128712","10.113","0.01","17.305","0.016","15.793","0.015","90","","93.473","0.013","90","","2759","5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cl8 Ga2 P2 Se2 -","- C38 H34 Cl8 Ga2 P2 Se2 -","- C76 H68 Cl16 Ga4 P4 Se4 -","2","0.5","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","","0.71073","MoKα","","0.1435","0.0626","","","0.1193","0.1543","","","","","","1.014","","","","has coordinates","221787","2020-10-21","18:00:00",""
"4128713","6.476","0.004","11.412","0.007","16.422","0.009","90","","99.474","0.006","90","","1197.1","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F3 N2 O3 S2 -","- C8 H7 F3 N2 O3 S2 -","- C32 H28 F12 N8 O12 S8 -","4","1","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","","0.71073","MoKα","","0.0763","0.0432","","","0.098","0.1162","","","","","","1.041","","","","has coordinates","221788","2020-10-21","18:00:00",""
"4128714","12.628","0.004","11.193","0.003","18.905","0.005","90","","105.154","0.003","90","","2579.2","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N O6 -","- C30 H31 N O6 -","- C120 H124 N4 O24 -","4","1","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","","0.71073","MoKα","","0.092","0.0479","","","0.107","0.1284","","","","","","1.014","","","","has coordinates","221789","2020-10-21","18:00:00",""
"4128715","9.579","0.0004","17.1831","0.0003","11.6372","0.0005","90","","114.236","0.006","90","","1746.62","0.14","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","x-ray","1.54184","CuKα","","0.0524","0.0436","","","0.1135","0.1289","","","","","","1.091","","","","has coordinates","221790","2020-10-21","18:00:00",""
"4128716","13.843","0.012","14.77","0.013","16.408","0.015","98.002","0.009","111.568","0.008","91.861","0.009","3077","5","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H42 Cl4 Ga P2 Se2 -","- C56 H42 Cl4 Ga P2 Se2 -","- C112 H84 Cl8 Ga2 P4 Se4 -","2","1","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","x-ray","0.71073","MoKα","","0.1852","0.0584","","","0.1294","0.1739","","","","","","0.935","","","","has coordinates","221791","2020-10-21","18:00:00",""
"4128717","13.521","0.009","8.727","0.006","16.583","0.011","90","","112.641","0.007","90","","1806","2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","","0.71073","MoKα","","0.0621","0.0454","","","0.1238","0.1356","","","","","","1.058","","","","has coordinates","221792","2020-10-21","18:00:00",""
"4128718","12.2462","0.0004","18.9725","0.0006","20.7122","0.0006","91.488","0.001","100.961","0.001","102.263","0.001","4605.6","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H93 Cl4 F12 N8 O14.5 Rh4 S4 -","- C76 H93 Cl4 F12 N8 O14.5 Rh4 S4 -","- C152 H186 Cl8 F24 N16 O29 Rh8 S8 -","2","1","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","1.34138","GaKα","","0.0587","0.0534","","","0.1405","0.1464","","","","","","1.055","","","","has coordinates,has disorder","221793","2020-10-21","18:00:00",""
"4128719","22.226","0.003","22.561","0.003","23.443","0.003","61.751","0.005","83.713","0.005","67.618","0.004","9539","2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C104 H106.67 F12 N25.33 O28 Pd2 Rh4 S4 -","- C88.6667 H88 F6 N17.3333 O18 Pd2 Rh4 S2 -","- C266 H264 F18 N52 O54 Pd6 Rh12 S6 -","3","1.5","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","1.34138","GaKα","","0.0816","0.0614","","","0.1698","0.1877","","","","","","1.051","","","","has coordinates,has disorder","221794","2020-10-21","18:00:00",""
"4128720","22.109","0.004","32.573","0.006","23.984","0.005","90","","101.33","0.004","90","","16936","6","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H120.67 F12 N12 O27.67 Rh4 S4 -","- C87.3333 H84 F8 N12 O16.6667 Rh4 S2.66667 -","- C524 H504 F48 N72 O100 Rh24 S16 -","6","1.5","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","0.71073","MoKα","","0.1844","0.1165","","","0.3034","0.3517","","","","","","1.021","","","","has coordinates,has disorder","221795","2020-10-21","18:00:00",""
"4128721","24.819","0.007","15.641","0.005","29.158","0.008","90","","103.341","0.005","90","","11014","6","203","2","203","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H102 Cl4 F12 N12 O24 Rh4 S4 -","- C84 H86 Cl4 F12 N12 O21 Rh4 S4 -","- C336 H344 Cl16 F48 N48 O84 Rh16 S16 -","4","1","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","0.71073","MoKα","","0.1022","0.0601","","","0.1584","0.1878","","","","","","1.015","","","","has coordinates,has disorder","221796","2020-10-21","18:00:00",""
"4128722","42.412","0.009","24.783","0.005","37.548","0.008","90","","93.396","0.004","90","","39397","14","203","2","203","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C104 H140 F12 N12 O38 Pd2 Rh4 S6 -","- C91.6667 H92 F7 N12 O19.6667 Pd2 Rh4 S3 -","- C1100 H1104 F84 N144 O236 Pd24 Rh48 S36 -","12","1.5","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","0.71073","MoKα","","0.1613","0.0923","","","0.2458","0.3084","","","","","","1.034","","","","has coordinates,has disorder","221797","2020-10-21","18:00:00",""
"4128723","14.5778","0.0007","19.8862","0.0009","18.8713","0.0009","90","","111.907","0.002","90","","5075.7","0.4","173","2","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C70 H86 Cl4 F12 N12 O14 Rh4 S4 -","- C70 H86 Cl4 F12 N12 O14 Rh4 S4 -","- C140 H172 Cl8 F24 N24 O28 Rh8 S8 -","2","0.5","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","1.34138","GaKα","","0.0661","0.0534","","","0.1272","0.1428","","","","","","1.128","","","","has coordinates","221798","2020-10-21","18:00:00",""
"4128724","14.6899","0.0013","11.8518","0.0011","7.5864","0.0006","90","","98.535","0.003","90","","1306.2","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Kim, Inwon; Kang, Gyumin; Lee, Kangjae; Park, Bohyun; Kang, Dahye; Jung, Hoimin; He, Yu-Tao; Baik, Mu-Hyun; Hong, Sungwoo","Site-Selective Functionalization of Pyridinium Derivatives via Visible-Light-Driven Photocatalysis with Quinolinone.","Journal of the American Chemical Society","2019","141","23","9239","9248","10.1021/jacs.9b02013","","","0.71073","MoKα","","0.0482","0.041","","","0.1137","0.1206","","","","","","1.065","","","","has coordinates","221799","2020-10-21","18:00:00",""
"4128725","15.0243","0.0018","9.1417","0.0011","11.0063","0.0013","90","","92.782","0.006","90","","1509.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N O P -","- C18 H16 N O P -","- C72 H64 N4 O4 P4 -","4","1","","Kim, Inwon; Kang, Gyumin; Lee, Kangjae; Park, Bohyun; Kang, Dahye; Jung, Hoimin; He, Yu-Tao; Baik, Mu-Hyun; Hong, Sungwoo","Site-Selective Functionalization of Pyridinium Derivatives via Visible-Light-Driven Photocatalysis with Quinolinone.","Journal of the American Chemical Society","2019","141","23","9239","9248","10.1021/jacs.9b02013","","","0.71073","MoKα","","0.0469","0.0384","","","0.1063","0.1129","","","","","","1.067","","","","has coordinates","221800","2020-10-21","18:00:00",""
"4128726","8.7457","0.0006","9.3045","0.0006","12.4461","0.0008","104.345","0.002","103.023","0.002","90.34","0.002","953.93","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N O3 P -","- C23 H20 N O3 P -","- C46 H40 N2 O6 P2 -","2","1","","Kim, Inwon; Kang, Gyumin; Lee, Kangjae; Park, Bohyun; Kang, Dahye; Jung, Hoimin; He, Yu-Tao; Baik, Mu-Hyun; Hong, Sungwoo","Site-Selective Functionalization of Pyridinium Derivatives via Visible-Light-Driven Photocatalysis with Quinolinone.","Journal of the American Chemical Society","2019","141","23","9239","9248","10.1021/jacs.9b02013","","","0.71073","MoKα","","0.0653","0.0474","","","0.1299","0.1448","","","","","","1.041","","","","has coordinates","221801","2020-10-21","18:00:00",""
"4128727","8.8392","0.0006","17.5163","0.0012","11.7943","0.0008","90","","109.285","0.002","90","","1723.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N O P -","- C22 H18 N O P -","- C88 H72 N4 O4 P4 -","4","1","","Kim, Inwon; Kang, Gyumin; Lee, Kangjae; Park, Bohyun; Kang, Dahye; Jung, Hoimin; He, Yu-Tao; Baik, Mu-Hyun; Hong, Sungwoo","Site-Selective Functionalization of Pyridinium Derivatives via Visible-Light-Driven Photocatalysis with Quinolinone.","Journal of the American Chemical Society","2019","141","23","9239","9248","10.1021/jacs.9b02013","","","0.71073","MoKα","","0.0375","0.0338","","","0.0918","0.0949","","","","","","1.031","","","","has coordinates","221802","2020-10-21","18:00:00",""
"4128728","26.283","0.0001","26.283","0.0001","26.283","0.0001","90","","90","","90","","18156.2","0.12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Cu3(BTC)2_55","catena-[bis(m-benzene-1,3,5-tricarboxylato)-triaqua-tri-copper","","- C18 H6 Cu3 O13.5 -","- C18 H6 Cu3 O13.581 -","- C288 H96 Cu48 O217.296 -","16","0.0833333","","Scatena, Rebecca; Guntern, Yannick T.; Macchi, Piero","Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu<sub>3</sub>(BTC)<sub>2</sub> and Zn<sub>3</sub>(BTC)<sub>2</sub>.","Journal of the American Chemical Society","2019","141","23","9382","9390","10.1021/jacs.9b03643","","","0.71073","MoKα","","0.094","0.0731","","","0.2538","0.2769","","","","","","1.28","","","","has coordinates","221803","2020-10-21","18:00:00",""
"4128729","26.3038","0.0001","26.3038","0.0001","26.3038","0.0001","90","","90","","90","","18199.3","0.12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Cu3(BTC)2_100","catena-[bis(m-benzene-1,3,5-tricarboxylato)-triaqua-tri-copper","","- C18 H6 Cu3 O15 -","- C18 H6 Cu3 O15 -","- C288 H96 Cu48 O240 -","16","0.0833333","","Scatena, Rebecca; Guntern, Yannick T.; Macchi, Piero","Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu<sub>3</sub>(BTC)<sub>2</sub> and Zn<sub>3</sub>(BTC)<sub>2</sub>.","Journal of the American Chemical Society","2019","141","23","9382","9390","10.1021/jacs.9b03643","","","0.71073","MoKα","","0.1056","0.0831","","","0.2762","0.3002","","","","","","1.211","","","","has coordinates","221804","2020-10-21","18:00:00",""
"4128730","26.279","0.0001","26.279","0.0001","26.279","0.0001","90","","90","","90","","18147.9","0.12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Cu3(BTC)2_28","catena-[bis(m-benzene-1,3,5-tricarboxylato)-triaqua-tri-copper","","- C18 H6 Cu3 O13 -","- C18 H6 Cu3 O12.852 -","- C288 H96 Cu48 O205.632 -","16","0.0833333","","Scatena, Rebecca; Guntern, Yannick T.; Macchi, Piero","Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu<sub>3</sub>(BTC)<sub>2</sub> and Zn<sub>3</sub>(BTC)<sub>2</sub>.","Journal of the American Chemical Society","2019","141","23","9382","9390","10.1021/jacs.9b03643","","","0.71073","MoKα","","0.0538","0.0339","","","0.0927","0.1078","","","","","","1.12","","","","has coordinates","221805","2020-10-21","18:00:00",""
"4128731","26.269","0.0001","26.269","0.0001","26.269","0.0001","90","","90","","90","","18127.2","0.12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Cu3(BTC)2_14","catena-[bis(m-benzene-1,3,5-tricarboxylato)-triaqua-tri-copper","","- C18 H6 Cu3 O12.5 -","- C18 H6 Cu3 O12.432 -","- C288 H96 Cu48 O198.912 -","16","0.0833333","","Scatena, Rebecca; Guntern, Yannick T.; Macchi, Piero","Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu<sub>3</sub>(BTC)<sub>2</sub> and Zn<sub>3</sub>(BTC)<sub>2</sub>.","Journal of the American Chemical Society","2019","141","23","9382","9390","10.1021/jacs.9b03643","","","0.71073","MoKα","","0.0217","0.0203","","","0.0602","0.0613","","","","","","1.081","","","","has coordinates","221806","2020-10-21","18:00:00",""
"4128732","8.6884","0.0008","9.4552","0.0008","14.6981","0.0012","92.465","0.003","104.135","0.003","112.842","0.003","1066.17","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H60 Br2 Cl4 F4 N2 O2 -","- C32 H60 Br2 Cl4 F4 N2 O2 -","- C32 H60 Br2 Cl4 F4 N2 O2 -","1","0.5","","Kepler, Slade; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π Complexes of Halides with p-Benzoquinones: Structures, Thermodynamics, and Criteria of Charge Transfer to Electron Transfer Transition.","Journal of the American Chemical Society","2019","141","23","9338","9348","10.1021/jacs.9b03277","","","0.71073","MoKα","","0.1064","0.0584","","","0.1376","0.1531","","","","","","1.003","","","","has coordinates","221807","2020-10-21","18:00:00",""
"4128733","9.4008","0.0014","10.9112","0.0016","11.8382","0.0018","105.366","0.005","97.509","0.006","110.255","0.005","1064.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 F4 I N O2 -","- C18 H28 F4 I N O2 -","- C36 H56 F8 I2 N2 O4 -","2","1","","Kepler, Slade; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π Complexes of Halides with p-Benzoquinones: Structures, Thermodynamics, and Criteria of Charge Transfer to Electron Transfer Transition.","Journal of the American Chemical Society","2019","141","23","9338","9348","10.1021/jacs.9b03277","","","0.71073","MoKα","","0.0562","0.0356","","","0.0675","0.0749","","","","","","1.06","","","","has coordinates","221808","2020-10-21","18:00:00",""
"4128734","9.41","0.0004","9.4831","0.0004","12.9042","0.0005","97.931","0.002","90.411","0.002","97.764","0.002","1129.66","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H29 Br F4 N O4 -","- C19 H29 Br F4 N O4 -","- C38 H58 Br2 F8 N2 O8 -","2","1","","Kepler, Slade; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π Complexes of Halides with p-Benzoquinones: Structures, Thermodynamics, and Criteria of Charge Transfer to Electron Transfer Transition.","Journal of the American Chemical Society","2019","141","23","9338","9348","10.1021/jacs.9b03277","","","1.54178","CuKα","","0.0615","0.0528","","","0.1426","0.1513","","","","","","1.109","","","","has coordinates","221809","2020-10-21","18:00:00",""
"4128735","10.2282","0.0006","12.5758","0.0007","19.9561","0.0009","90","","97.358","0.002","90","","2545.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 Cl6 N8 O6 -","- C48 H56 Cl6 N8 O6 -","- C96 H112 Cl12 N16 O12 -","2","0.5","","Kepler, Slade; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π Complexes of Halides with p-Benzoquinones: Structures, Thermodynamics, and Criteria of Charge Transfer to Electron Transfer Transition.","Journal of the American Chemical Society","2019","141","23","9338","9348","10.1021/jacs.9b03277","","","0.71073","MoKα","","0.0776","0.0439","","","0.0892","0.1026","","","","","","1.019","","","","has coordinates,has disorder","221810","2020-10-21","18:00:00",""
"4128736","15.2745","0.0013","10.2019","0.0009","20.6506","0.0018","90","","96.098","0.006","90","","3199.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cl5 N5 O4 -","- C28 H28 Cl5 N5 O4 -","- C112 H112 Cl20 N20 O16 -","4","1","","Kepler, Slade; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π Complexes of Halides with p-Benzoquinones: Structures, Thermodynamics, and Criteria of Charge Transfer to Electron Transfer Transition.","Journal of the American Chemical Society","2019","141","23","9338","9348","10.1021/jacs.9b03277","","","0.71073","MoKα","","0.1531","0.0613","","","0.0978","0.1201","","","","","","0.996","","","","has coordinates,has disorder","221811","2020-10-21","18:00:00",""
"4128737","20.778","0.004","7.2406","0.0017","17.576","0.006","90","","98.794","0.012","90","","2613.1","1.2","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H64 N18 O24 P2 -","- C38 H64 N18 O24 P2 -","- C76 H128 N36 O48 P4 -","2","0.5","","Zhou, Li; Retailleau, Pascal; Morel, Mathieu; Rudiuk, Sergii; Baigl, Damien","Photoswitchable Fluorescent Crystals Obtained by the Photoreversible Coassembly of a Nucleobase and an Azobenzene Intercalator.","Journal of the American Chemical Society","2019","141","23","9321","9329","10.1021/jacs.9b02836","","","1.54187","CuKα","","0.1971","0.0891","","","0.2031","0.265","","","","","","0.978","","","","has coordinates","221812","2020-10-21","18:00:00",""
"4128738","11.3484","0.0007","20.8006","0.0012","17.0866","0.001","90","","102.202","0.002","90","","3942.2","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 Cl5 N4 O3 Th -","- C35 H49 Cl5 N4 O3 Th -","- C140 H196 Cl20 N16 O12 Th4 -","4","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.0205","0.0186","","","0.0479","0.0491","","","","","","1.251","","","","has coordinates","221813","2020-10-21","18:00:00",""
"4128739","9.712","0.0008","17.5161","0.0015","22.8464","0.0017","90","","93.634","0.003","90","","3878.7","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H56 N4 O3 Si Th -","- C37 H56 N4 O3 Si Th -","- C148 H224 N16 O12 Si4 Th4 -","4","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.058","0.0508","","","0.1022","0.1059","","","","","","1.243","","","","has coordinates,has disorder","221813","2020-10-21","18:00:00",""
"4128740","12.0934","0.0015","17.895","0.002","20.998","0.003","90","","97.346","0.006","90","","4506.9","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H57 F6 N5 O4 Th -","- C45 H57 F6 N5 O4 Th -","- C180 H228 F24 N20 O16 Th4 -","4","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.0274","0.0228","","","0.0547","0.057","","","","","","1.067","","","","has coordinates","221813","2020-10-21","18:00:00",""
"4128741","13.9171","0.0006","18.1649","0.0007","22.1946","0.0009","90","","96.724","0.002","90","","5572.3","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H64 F6 Li N5 O5 Th -","- C49 H64 F6 Li N5 O5 Th -","- C196 H256 F24 Li4 N20 O20 Th4 -","4","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.048","0.0444","","","0.1112","0.1129","","","","","","1.348","","","","has coordinates,has disorder","221813","2020-10-21","18:00:00",""
"4128742","11.8126","0.0006","12.0421","0.0006","25.5193","0.0012","94.897","0.002","95.005","0.002","118.644","0.002","3139.9","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H84 F6 K N7 O9 Th -","- C59 H84 F6 K N7 O9 Th -","- C118 H168 F12 K2 N14 O18 Th2 -","2","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.0682","0.0564","","","0.1059","0.11","","","","","","1.161","","","","has coordinates","221813","2020-10-21","18:00:00",""
"4128743","19.401","0.0016","19.4715","0.0016","18.6191","0.0015","90","","97.543","0.004","90","","6972.8","1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H67 B F24 N4 O4 Th -","- C69 H67 B F24 N4 O4 Th -","- C276 H268 B4 F96 N16 O16 Th4 -","4","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.0575","0.045","","","0.0892","0.0966","","","","","","1.077","","","","has coordinates,has disorder","221813","2020-10-21","18:00:00",""
"4128744","5.5115","0.0001","9.7152","0.0002","8.7681","0.0002","90","","96.864","0.002","90","","466.126","0.017","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Cl O2 -","- C11 H9 Cl O2 -","- C22 H18 Cl2 O4 -","2","1","","Chandgude, Ajay L.; Ren, Xinkun; Fasan, Rudi","Stereodivergent Intramolecular Cyclopropanation Enabled by Engineered Carbene Transferases.","Journal of the American Chemical Society","2019","141","23","9145","9150","10.1021/jacs.9b02700","","x-ray","1.54184","CuKα","","0.0312","0.031","","","0.0804","0.0806","","","","","","1.106","","","","has coordinates","221814","2020-10-21","18:00:00",""
"4128745","5.6119","0.0001","9.6719","0.0002","8.9813","0.0002","90","","97.545","0.002","90","","483.264","0.017","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Br O2 -","- C11 H9 Br O2 -","- C22 H18 Br2 O4 -","2","1","","Chandgude, Ajay L.; Ren, Xinkun; Fasan, Rudi","Stereodivergent Intramolecular Cyclopropanation Enabled by Engineered Carbene Transferases.","Journal of the American Chemical Society","2019","141","23","9145","9150","10.1021/jacs.9b02700","","x-ray","1.54184","CuKα","","0.0412","0.0405","","","0.1097","0.1105","","","","","","1.126","","","","has coordinates","221815","2020-10-21","18:00:00",""
"4128746","5.5659","0.0001","9.7305","0.0002","7.6693","0.0001","90","","92.853","0.001","90","","414.847","0.013","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C22 H20 O4 -","2","1","","Chandgude, Ajay L.; Ren, Xinkun; Fasan, Rudi","Stereodivergent Intramolecular Cyclopropanation Enabled by Engineered Carbene Transferases.","Journal of the American Chemical Society","2019","141","23","9145","9150","10.1021/jacs.9b02700","","x-ray","1.54184","CuKα","","0.0284","0.028","","","0.069","0.0691","","","","","","1.081","","","","has coordinates","221816","2020-10-21","18:00:00",""
"4128747","13.49627","","9.884103","","9.164619","","90","","90","","90","","1222.55","","563","","563","","","","810000","","","","","4","P b c a","-P 2ac 2ab","61","ZIF-4-hPT-II","catena-(tetrakis(μ2-Imidazolato-N,N')-di-zinc(ii) clathrate)","","- C6 H6 N4 Zn -","- C6 H6 N4 Zn -","- C48 H48 N32 Zn8 -","8","1","","Widmer, Remo N.; Lampronti, Giulio I.; Chibani, Siwar; Wilson, Craig W.; Anzellini, Simone; Farsang, Stefan; Kleppe, Annette K.; Casati, Nicola P. M.; MacLeod, Simon G.; Redfern, Simon A. T.; Coudert, François-Xavier; Bennett, Thomas D.","Rich Polymorphism of a Metal-Organic Framework in Pressure-Temperature Space.","Journal of the American Chemical Society","2019","141","23","9330","9337","10.1021/jacs.9b03234","powder diffraction","","0.4246","synchrotron","","0.046","","","","","","","","0.0832","","","","","","","has coordinates","221817","2020-10-21","18:00:00",""
"4128748","14.56659","","14.44478","","15.45102","","90","","90","","90","","3251.07","","313","","313","","","","200000","","","","","4","P b c a","-P 2ac 2ab","61","ZIF-4-cp-II","catena-(tetrakis(μ2-Imidazolato-N,N')-di-zinc(ii) clathrate)","","- C6 H6 N4 Zn -","- C6 H6 N4 Zn -","- C96 H96 N64 Zn16 -","16","2","","Widmer, Remo N.; Lampronti, Giulio I.; Chibani, Siwar; Wilson, Craig W.; Anzellini, Simone; Farsang, Stefan; Kleppe, Annette K.; Casati, Nicola P. M.; MacLeod, Simon G.; Redfern, Simon A. T.; Coudert, François-Xavier; Bennett, Thomas D.","Rich Polymorphism of a Metal-Organic Framework in Pressure-Temperature Space.","Journal of the American Chemical Society","2019","141","23","9330","9337","10.1021/jacs.9b03234","powder diffraction","","0.4246","synchrotron","","0.0627","","","","","","","","23.634","","","","","","","has coordinates","221818","2020-10-21","18:00:00",""
"4128749","18.6187","0.0015","15.7648","0.001","17.9841","0.0011","90","","103.318","0.007","90","","5136.7","0.6","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44 N8 O13 -","- C60 H44 N8 O13 -","- C240 H176 N32 O52 -","4","1","","Wang, Zhifang; Sikdar, Nivedita; Wang, Shi-Qiang; Li, Xia; Yu, Meihui; Bu, Xian-He; Chang, Ze; Zou, Xiaolong; Chen, Yao; Cheng, Peng; Yu, Kuang; Zaworotko, Michael J.; Zhang, Zhenjie","Soft Porous Crystal Based upon Organic Cages That Exhibit Guest-Induced Breathing and Selective Gas Separation.","Journal of the American Chemical Society","2019","141","23","9408","9414","10.1021/jacs.9b04319","","x-ray","0.71073","MoKα","","0.1983","0.0908","","","0.172","0.2233","","","","","","1.039","","","","has coordinates","221819","2020-10-21","18:00:00",""
"4128750","20.7759","0.0007","15.7504","0.0006","18.2205","0.0006","90","","97.372","0.003","90","","5913","0.4","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H46 Cl4 N8 O12 -","- C62 H46 Cl4 N8 O12 -","- C248 H184 Cl16 N32 O48 -","4","1","","Wang, Zhifang; Sikdar, Nivedita; Wang, Shi-Qiang; Li, Xia; Yu, Meihui; Bu, Xian-He; Chang, Ze; Zou, Xiaolong; Chen, Yao; Cheng, Peng; Yu, Kuang; Zaworotko, Michael J.; Zhang, Zhenjie","Soft Porous Crystal Based upon Organic Cages That Exhibit Guest-Induced Breathing and Selective Gas Separation.","Journal of the American Chemical Society","2019","141","23","9408","9414","10.1021/jacs.9b04319","","","0.71073","MoKα","","0.0976","0.0691","","","0.1728","0.1879","","","","","","1.058","","","","has coordinates","221820","2020-10-21","18:00:00",""
"4128751","5.7307","0.0007","8.2795","0.0011","24.749","0.003","90","","91.3419","0.0017","90","","1174","0.3","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Cl I O2 -","- C9 H16 Cl I O2 -","- C36 H64 Cl4 I4 O8 -","4","2","","Michalak, Sharon E.; Nam, Sangkil; Kwon, David M.; Horne, David A.; Vanderwal, Christopher D.","A Chlorine-Atom-Controlled Terminal-Epoxide-Initiated Bicyclization Cascade Enables a Synthesis of the Potent Cytotoxins Haterumaimides J and K.","Journal of the American Chemical Society","2019","141","23","9202","9206","10.1021/jacs.9b04702","","","0.71073","MoKα","","0.03","0.0282","","","0.0732","0.0741","","","","","","1.214","","","","has coordinates","221821","2020-10-21","18:00:00",""
"4128752","9.1874","0.0002","13.9904","0.0002","20.1638","0.0003","90","","90","","90","","2591.76","0.08","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11.5 H15.5 Cl1.5 O4.5 -","- C11.5 H15.5 Cl1.5 O4.5 -","- C92 H124 Cl12 O36 -","8","2","","Schuppe, Alexander W.; Zhao, Yizhou; Liu, Yannan; Newhouse, Timothy R.","Total Synthesis of (+)-Granatumine A and Related Bislactone Limonoid Alkaloids via a Pyran to Pyridine Interconversion.","Journal of the American Chemical Society","2019","141","23","9191","9196","10.1021/jacs.9b04508","","","1.54184","CuKα","","0.0353","0.0329","","","0.0827","0.0842","","","","","","1.053","","","","has coordinates","221822","2020-10-21","18:00:00",""
"4128753","9.3675","0.0004","9.8446","0.0004","12.9472","0.0006","89.972","0.003","69.566","0.004","79.485","0.004","1097.47","0.09","93","2","93","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H27 N O6 -","- C26 H27 N O6 -","- C52 H54 N2 O12 -","2","2","","Schuppe, Alexander W.; Zhao, Yizhou; Liu, Yannan; Newhouse, Timothy R.","Total Synthesis of (+)-Granatumine A and Related Bislactone Limonoid Alkaloids via a Pyran to Pyridine Interconversion.","Journal of the American Chemical Society","2019","141","23","9191","9196","10.1021/jacs.9b04508","","","1.54184","CuKα","","0.0284","0.028","","","0.0701","0.0704","","","","","","1.091","","","","has coordinates","221823","2020-10-21","18:00:00",""
"4128754","6.0064","0.0001","12.4392","0.0002","16.1835","0.0003","90","","90","","90","","1209.15","0.04","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Schuppe, Alexander W.; Zhao, Yizhou; Liu, Yannan; Newhouse, Timothy R.","Total Synthesis of (+)-Granatumine A and Related Bislactone Limonoid Alkaloids via a Pyran to Pyridine Interconversion.","Journal of the American Chemical Society","2019","141","23","9191","9196","10.1021/jacs.9b04508","","","1.54184","CuKα","","0.0241","0.0241","","","0.0634","0.0634","","","","","","1.047","","","","has coordinates","221824","2020-10-21","18:00:00",""
"4128755","23.025","0.002","14.4111","0.0013","35.128","0.003","90","","107.619","0.003","90","","11109.2","1.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C106 H86 F24 N4 O P4 -","- C106 H86 F24 N4 O P4 -","- C424 H344 F96 N16 O4 P16 -","4","1","","Li, Yawen; Dong, Yunhong; Cheng, Lin; Qin, Chunyan; Nian, Hao; Zhang, Haiyang; Yu, Yang; Cao, Liping","Aggregation-Induced Emission and Light-Harvesting Function of Tetraphenylethene-Based Tetracationic Dicyclophane.","Journal of the American Chemical Society","2019","141","21","8412","8415","10.1021/jacs.9b02617","","","0.71073","MoKα","","0.175","0.0853","","","0.2166","0.2536","","","","","","0.918","","","","has coordinates,has disorder","221825","2020-10-21","18:00:00",""
"4128756","6.2765","0.0001","11.7617","0.0002","28.306","0.0004","90","","90","","90","","2089.61","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N O3 Si -","- C20 H35 N O3 Si -","- C80 H140 N4 O12 Si4 -","4","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-Type Alkaloids: Total Syntheses of (-)-Daphlongamine H and (-)-Isodaphlongamine H.","Journal of the American Chemical Society","2019","141","21","8431","8435","10.1021/jacs.9b03576","","","1.54184","CuKα","","0.0373","0.0354","","","0.0933","0.0948","","","","","","1.095","","","","has coordinates","221826","2020-10-21","18:00:00",""
"4128757","8.19798","0.00005","7.89375","0.00004","20.23662","0.0001","90","","99.2147","0.0005","90","","1292.67","0.012","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H43 N O3 Si -","- C27 H43 N O3 Si -","- C54 H86 N2 O6 Si2 -","2","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-Type Alkaloids: Total Syntheses of (-)-Daphlongamine H and (-)-Isodaphlongamine H.","Journal of the American Chemical Society","2019","141","21","8431","8435","10.1021/jacs.9b03576","","","1.54184","CuKα","","0.0559","0.0556","","","0.1517","0.152","","","","","","1.043","","","","has coordinates","221827","2020-10-21","18:00:00",""
"4128758","5.89374","0.00002","26.1462","0.00008","26.91187","0.00008","90","","90","","90","","4147.09","0.02","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H50 N2 O13 S -","- C43 H50 N2 O13 S -","- C172 H200 N8 O52 S4 -","4","1","","Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian","Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.","Journal of the American Chemical Society","2019","141","21","8509","8515","10.1021/jacs.9b01862","","x-ray","1.54184","CuKα","","0.0254","0.0251","","","0.0641","0.0643","","","","","","1.044","","","","has coordinates","221828","2020-10-21","18:00:00",""
"4128759","7.62899","0.00005","8.62984","0.00004","47.2575","0.0002","90","","90","","90","","3111.29","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N4 O13 S2 -","- C27 H36 N4 O13 S2 -","- C108 H144 N16 O52 S8 -","4","1","","Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian","Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.","Journal of the American Chemical Society","2019","141","21","8509","8515","10.1021/jacs.9b01862","","x-ray","1.54184","CuKα","","0.0218","0.0217","","","0.0563","0.0564","","","","","","1.054","","","","has coordinates","221829","2020-10-21","18:00:00",""
"4128760","7.6865","0.0003","29.0486","0.0011","8.7393","0.0004","90","","111.856","0.001","90","","1811.07","0.13","298","2","297.7","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H33 N4 O13 S2 -","- C27 H33 N4 O13 S2 -","- C54 H66 N8 O26 S4 -","2","1","","Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian","Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.","Journal of the American Chemical Society","2019","141","21","8509","8515","10.1021/jacs.9b01862","","","0.71073","MoKα","","0.1236","0.1164","","","0.3172","0.3235","","","","","","2.6665","","","","has coordinates","221830","2020-10-21","18:00:00",""
"4128761","13.877","0.0002","13.877","0.0002","12.2284","0.0002","90","","90","","90","","2354.84","0.06","100","2","100","2","","","","","","","","4","P -4","P -4","81","","","","- C27 H36 Fe N2 -","- C27 H36 Fe N2 -","- C108 H144 Fe4 N8 -","4","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","1.54178","CuKα","","0.0724","0.0594","","","0.1196","0.1255","","","","","","1.201","","","","has coordinates","221831","2020-10-21","18:00:00",""
"4128762","10.7415","0.0003","30.1238","0.0008","8.1904","0.0002","90","","96.802","0.002","90","","2631.55","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Fe N2 -","- C30 H40 Fe N2 -","- C120 H160 Fe4 N8 -","4","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","1.54178","CuKα","","0.1761","0.1418","","","0.2395","0.2583","","","","","","1.145","","","","has coordinates","221831","2020-10-21","18:00:00",""
"4128763","9.6392","0.0006","9.8763","0.0006","18.4278","0.0012","88.863","0.002","80.655","0.002","77.495","0.002","1689.76","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 Fe N4 -","- C38 H48 Fe N4 -","- C76 H96 Fe2 N8 -","2","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","0.71073","MoKα","","0.15","0.0947","","","0.1484","0.1695","","","","","","1.128","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4128764","17.2244","0.0009","23.3339","0.0012","14.9504","0.0007","90","","97.969","0.002","90","","5950.7","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H42 Fe N4 -","- C34.5 H42 Fe N4 -","- C276 H336 Fe8 N32 -","8","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","0.71073","MoKα","","0.1517","0.0983","","","0.1734","0.196","","","","","","1.063","","","","has coordinates","221831","2020-10-21","18:00:00",""
"4128765","13.2598","0.0004","20.1582","0.0007","14.9573","0.0005","90","","115.941","0.002","90","","3595.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Fe N4 -","- C42 H52 Fe N4 -","- C168 H208 Fe4 N16 -","4","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","1.54178","CuKα","","0.1548","0.1114","","","0.226","0.2487","","","","","","1.086","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4128766","16.216","0.0008","11.9385","0.0006","16.7276","0.0009","90","","117.879","0.002","90","","2862.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H42 Fe N2 O Si2 -","- C27 H42 Fe N2 O Si2 -","- C108 H168 Fe4 N8 O4 Si8 -","4","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","0.71073","MoKα","","0.0682","0.0502","","","0.1021","0.1119","","","","","","1.086","","","","has coordinates","221831","2020-10-21","18:00:00",""
"4128767","6.2983","0.0001","6.2983","0.0001","6.2983","0.0001","90","","90","","90","","249.845","0.007","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","formamidinium methylamonium lead tin iodide","","","- C I3 N2.857 Pb0.48 Sn0.521 -","- C I3 N2.8566 Pb0.4799 Sn0.5209 -","- C I3 N2.8566 Pb0.4799 Sn0.5209 -","1","0.0208333","","Ke, Weijun; Spanopoulos, Ioannis; Tu, Qing; Hadar, Ido; Li, Xiaotong; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Ethylenediammonium-Based ""Hollow"" Pb/Sn Perovskites with Ideal Band Gap Yield Solar Cells with Higher Efficiency and Stability.","Journal of the American Chemical Society","2019","141","21","8627","8637","10.1021/jacs.9b03662","","x-ray","0.71073","MoKα","","0.0193","0.0193","","","0.0696","0.0696","","","","2.72","2.72","2.72","","","","has coordinates","221832","2020-10-21","18:00:00",""
"4128768","10.0988","0.0002","11.366","0.0001","14.0353","0.0002","90","","108.385","0.002","90","","1528.78","0.04","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 Br F6 N2 P5 Re -","- C20 H48 Br F6 N2 P5 Re -","- C40 H96 Br2 F12 N4 P10 Re2 -","2","0.5","","Shanahan, James P.; Szymczak, Nathaniel K.","Hydrogen Bonding to a Dinitrogen Complex at Room Temperature: Impacts on N<sub>2</sub> Activation.","Journal of the American Chemical Society","2019","141","21","8550","8556","10.1021/jacs.9b02288","","x-ray","1.54184","CuKα","","0.0406","0.0403","","","0.1127","0.1129","","","","","","1.22","","","","has coordinates,has disorder","221833","2020-10-21","18:00:00",""
"4128769","35.0246","0.0012","12.2516","0.0004","16.0092","0.0006","90","","107.546","0.001","90","","6550.1","0.4","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H50 N2 O3 P2 Ru -","- C27 H50 N2 O3 P2 Ru -","- C216 H400 N16 O24 P16 Ru8 -","8","1","","Mathis, Cheryl L.; Geary, Jackson; Ardon, Yotam; Reese, Maxwell S.; Philliber, Mallory A.; VanderLinden, Ryan T.; Saouma, Caroline T.","Thermodynamic Analysis of Metal-Ligand Cooperativity of PNP Ru Complexes: Implications for CO<sub>2</sub> Hydrogenation to Methanol and Catalyst Inhibition.","Journal of the American Chemical Society","2019","141","36","14317","14328","10.1021/jacs.9b06760","","","0.71073","MoKα","","0.0411","0.0284","","","0.0696","0.074","","","","","","1.029","","","","has coordinates","221834","2020-10-21","18:00:00",""
"4128770","16.3158","0.0005","12.7484","0.0004","18.5646","0.0006","90","","91.285","0.001","90","","3860.5","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H118 K2 N2 O10 P4 Ru2 -","- C66 H118 K2 N2 O10 P4 Ru2 -","- C132 H236 K4 N4 O20 P8 Ru4 -","2","1","","Mathis, Cheryl L.; Geary, Jackson; Ardon, Yotam; Reese, Maxwell S.; Philliber, Mallory A.; VanderLinden, Ryan T.; Saouma, Caroline T.","Thermodynamic Analysis of Metal-Ligand Cooperativity of PNP Ru Complexes: Implications for CO<sub>2</sub> Hydrogenation to Methanol and Catalyst Inhibition.","Journal of the American Chemical Society","2019","141","36","14317","14328","10.1021/jacs.9b06760","","","0.71073","MoKα","","0.0577","0.0483","","","0.1217","0.1275","","","","","","1.044","","","","has coordinates,has disorder","221834","2020-10-21","18:00:00",""
"4128771","20.262","0.002","20.262","0.002","20.262","0.002","90","","90","","90","","8318.5","1.4","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C16 H16 Cu N10 O4 -","- C16 H16 Cu N10 O4 -","- C192 H192 Cu12 N120 O48 -","12","0.5","","Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón","Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.","Journal of the American Chemical Society","2019","141","36","14306","14316","10.1021/jacs.9b06500","","","0.71073","MoKα","","0.0444","0.0333","","","0.0812","0.0854","","","","","","1.076","","","","has coordinates","221835","2020-10-21","18:00:00",""
"4128772","20.12","0.004","20.12","0.004","20.12","0.004","90","","90","","90","","8145","3","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C8 H15 Cu0.5 N5 O5.5 -","- C8 H14.9997 Cu0.5 N5 O5.49985 -","- C192 H359.993 Cu12 N120 O131.996 -","24","1","","Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón","Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.","Journal of the American Chemical Society","2019","141","36","14306","14316","10.1021/jacs.9b06500","","","0.71073","MoKα","","0.0323","0.0307","","","0.0829","0.0838","","","","","","1.105","","","","has coordinates,has disorder","221836","2020-10-21","18:00:00",""
"4128773","20.172","0.002","20.172","0.002","20.172","0.002","90","","90","","90","","8208.2","1.4","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C16 H25.33 Cu N10 O8.67 -","- C16 H25.3332 Cu N10 O8.6666 -","- C192 H303.998 Cu12 N120 O103.999 -","12","0.5","","Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón","Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.","Journal of the American Chemical Society","2019","141","36","14306","14316","10.1021/jacs.9b06500","","","0.71073","MoKα","","0.0642","0.0456","","","0.1189","0.1263","","","","","","1.054","","","","has coordinates,has disorder","221837","2020-10-21","18:00:00",""
"4128774","20.1133","0.0007","20.1133","0.0007","20.1133","0.0007","90","","90","","90","","8136.7","0.5","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C16 H28.67 Cu N10 O9.67 -","- C16 H28.666 Cu N10 O9.6666 -","- C192 H343.992 Cu12 N120 O115.999 -","12","0.5","","Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón","Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.","Journal of the American Chemical Society","2019","141","36","14306","14316","10.1021/jacs.9b06500","","","0.71073","MoKα","","0.0374","0.0332","","","0.0995","0.1018","","","","","","1.14","","","","has coordinates,has disorder","221838","2020-10-21","18:00:00",""
"4128775","28.6282","0.0014","28.6282","0.0014","25.6439","0.0012","90","","90","","120","","18201.3","1.5","100","2","100.02","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C120 H60 Hf6 N12 O32 -","- C120 H60 Hf6 N12 O32 -","- C240 H120 Hf12 N24 O64 -","2","0.0833333","","Zhao, Yanming; Qi, Shibo; Niu, Zheng; Peng, Yunlei; Shan, Chuan; Verma, Gaurav; Wojtas, Lukasz; Zhang, Zhenjie; Zhang, Bao; Feng, Yaqing; Chen, Yu-Sheng; Ma, Shengqian","Robust Corrole-Based Metal-Organic Frameworks with Rare 9-Connected Zr/Hf-Oxo Clusters.","Journal of the American Chemical Society","2019","141","36","14443","14450","10.1021/jacs.9b07700","","","0.41328","synchrotron","","0.1384","0.0879","","","0.2468","0.3126","","","","","","1.04","","","","has coordinates,has disorder","221839","2020-10-21","18:00:00",""
"4128776","28.6282","0.0014","28.6282","0.0014","25.6439","0.0012","90","","90","","120","","18201.3","1.5","100","2","100.02","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C120 H60 N12 O32 Zr6 -","- C118.5 H60 N12 O32 Zr6 -","- C237 H120 N24 O64 Zr12 -","2","0.0833333","","Zhao, Yanming; Qi, Shibo; Niu, Zheng; Peng, Yunlei; Shan, Chuan; Verma, Gaurav; Wojtas, Lukasz; Zhang, Zhenjie; Zhang, Bao; Feng, Yaqing; Chen, Yu-Sheng; Ma, Shengqian","Robust Corrole-Based Metal-Organic Frameworks with Rare 9-Connected Zr/Hf-Oxo Clusters.","Journal of the American Chemical Society","2019","141","36","14443","14450","10.1021/jacs.9b07700","","","1.54178","CuKα","","0.1144","0.0871","","","0.2788","0.3285","","","","","","1.192","","","","has coordinates,has disorder","221840","2020-10-21","18:00:00",""
"4128777","7.2319","0.0006","16.6606","0.0015","19.395","0.0017","90","","90","","90","","2336.9","0.4","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 F3 N2 O3 P S -","- C23 H24 F3 N2 O3 P S -","- C92 H96 F12 N8 O12 P4 S4 -","4","1","","Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H.","Enantioselective Imine Reduction Catalyzed by Phosphenium Ions.","Journal of the American Chemical Society","2019","141","36","14083","14088","10.1021/jacs.9b07293","","","0.71073","MoKα","","0.0427","0.0339","","","0.0754","0.0796","","","","","","1.015","","","","has coordinates","221841","2020-10-21","18:00:00",""
"4128778","8.7349","0.0007","15.7636","0.0012","19.3258","0.0015","90","","90","","90","","2661","0.4","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N2 O3 P S -","- C27 H24 F3 N2 O3 P S -","- C108 H96 F12 N8 O12 P4 S4 -","4","1","","Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H.","Enantioselective Imine Reduction Catalyzed by Phosphenium Ions.","Journal of the American Chemical Society","2019","141","36","14083","14088","10.1021/jacs.9b07293","","","0.71073","MoKα","","0.0262","0.0243","","","0.0613","0.0625","","","","","","1.04","","","","has coordinates,has disorder","221842","2020-10-21","18:00:00",""
"4128779","6.4655","0.001","11.5138","0.0018","23.247","0.004","90","","90","","90","","1730.6","0.5","125","2","125","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 F2 N O2 S -","- C20 H17 F2 N O2 S -","- C80 H68 F8 N4 O8 S4 -","4","1","","Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H.","Enantioselective Imine Reduction Catalyzed by Phosphenium Ions.","Journal of the American Chemical Society","2019","141","36","14083","14088","10.1021/jacs.9b07293","","","0.71073","MoKα","","0.0484","0.0357","","","0.0711","0.0752","","","","","","1.018","","","","has coordinates","221843","2020-10-21","18:00:00",""
"4128780","7.8209","0.0012","14.103","0.002","22.253","0.003","90","","90","","90","","2454.5","0.6","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 F3 N2 O3 P S3 -","- C23 H20 F3 N2 O3 P S3 -","- C92 H80 F12 N8 O12 P4 S12 -","4","1","","Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H.","Enantioselective Imine Reduction Catalyzed by Phosphenium Ions.","Journal of the American Chemical Society","2019","141","36","14083","14088","10.1021/jacs.9b07293","","","0.71073","MoKα","","0.0348","0.03","","","0.0707","0.0731","","","","","","1.024","","","","has coordinates","221844","2020-10-21","18:00:00",""
"4128781","18.3288","0.0013","23.6315","0.0017","20.2841","0.0015","90","","104.271","0.001","90","","8514.7","1.1","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C189 H268 Pb4 -","- C189 H268 Pb4 -","- C378 H536 Pb8 -","2","0.5","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0489","0.0283","","","0.0576","0.0644","","","","","","1.005","","","","has coordinates,has disorder","221845","2020-10-21","18:00:00",""
"4128782","14.946","0.002","19.052","0.003","28.498","0.004","90","","98.929","0.002","90","","8016","2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H122 Br2 Pb2 -","- C84 H122 Br2 Pb2 -","- C336 H488 Br8 Pb8 -","4","1","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0287","0.0216","","","0.0441","0.0456","","","","","","1.055","","","","has coordinates,has disorder","221846","2020-10-21","18:00:00",""
"4128783","9.1688","0.0008","12.7083","0.0011","13.0164","0.0012","64.295","0.001","81.679","0.001","69.572","0.001","1280.6","0.2","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H74 Pb2 -","- C60 H74 Pb2 -","- C60 H74 Pb2 -","1","0.5","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0268","0.0232","","","0.0597","0.0611","","","","","","1.081","","","","has coordinates","221847","2020-10-21","18:00:00",""
"4128784","11.4812","0.0012","25.639","0.003","12.8116","0.0014","90","","114.588","0.0013","90","","3429.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H100 O Pb2 Si2 -","- C70 H100 O Pb2 Si2 -","- C140 H200 O2 Pb4 Si4 -","2","0.5","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0174","0.0162","","","0.0408","0.0413","","","","","","1.034","","","","has coordinates,has disorder","221848","2020-10-21","18:00:00",""
"4128785","11.3682","0.0009","12.7595","0.001","12.9493","0.001","94.563","0.0012","103.15","0.001","114.102","0.001","1637.9","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H90 Br2 Pb2 Si2 -","- C66 H90 Br2 Pb2 Si2 -","- C66 H90 Br2 Pb2 Si2 -","1","0.5","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0416","0.0402","","","0.1091","0.11","","","","","","1.051","","","","has coordinates","221849","2020-10-21","18:00:00",""
"4128786","20.3372","0.0017","18.4518","0.0014","38.674","0.003","90","","90.3948","0.0015","90","","14512","2","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C84 H122 Pb2 -","- C84 H122 Pb2 -","- C672 H976 Pb16 -","8","1","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0734","0.042","","","0.0783","0.0863","","","","","","0.975","","","","has coordinates","221850","2020-10-21","18:00:00",""
"4128787","14.6489","0.0014","26.975","0.003","22.733","0.002","90","","105.484","0.0013","90","","8657","1.5","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H122 Br2 Pb2 -","- C84 H122 Br2 Pb2 -","- C336 H488 Br8 Pb8 -","4","0.5","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0658","0.0372","","","0.0788","0.0882","","","","","","0.986","","","","has coordinates","221851","2020-10-21","18:00:00",""
"4128788","13.826","0.0005","20.1133","0.0008","20.2739","0.0009","90","","90","","90","","5637.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H96 Cr Li2 O13 Si4 -","- C44 H96 Cr Li2 O13 Si4 -","- C176 H384 Cr4 Li8 O52 Si16 -","4","1","","Wind, Marie-Louise; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian; Limberg, Christian","Switching from a Chromium(IV) Peroxide to a Chromium(III) Superoxide upon Coordination of a Donor in the trans Position.","Journal of the American Chemical Society","2019","141","36","14068","14072","10.1021/jacs.9b06826","","","0.71073","MoKα","","0.0526","0.0454","","","0.1162","0.1216","","","","","","1.012","","","","has coordinates,has disorder","221852","2020-10-21","18:00:00",""
"4128789","11.1725","0.0004","17.4237","0.0007","18.9652","0.0008","90","","90.838","0.001","90","","3691.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 Cl3 Cr Li5 O9 Si4 -","- C20 H48 Cl3 Cr Li5 O9 Si4 -","- C80 H192 Cl12 Cr4 Li20 O36 Si16 -","4","1","","Wind, Marie-Louise; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian; Limberg, Christian","Switching from a Chromium(IV) Peroxide to a Chromium(III) Superoxide upon Coordination of a Donor in the trans Position.","Journal of the American Chemical Society","2019","141","36","14068","14072","10.1021/jacs.9b06826","","","0.71073","MoKα","","0.0449","0.0312","","","0.0692","0.0747","","","","","","1.01","","","","has coordinates","221853","2020-10-21","18:00:00",""
"4128790","17.014","0.003","16.181","0.003","18.608","0.004","90","","90","","90","","5122.8","1.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H88 Cr Li2 O10 Si4 -","- C40 H88 Cr Li2 O10 Si4 -","- C160 H352 Cr4 Li8 O40 Si16 -","4","0.5","","Wind, Marie-Louise; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian; Limberg, Christian","Switching from a Chromium(IV) Peroxide to a Chromium(III) Superoxide upon Coordination of a Donor in the trans Position.","Journal of the American Chemical Society","2019","141","36","14068","14072","10.1021/jacs.9b06826","","","0.71073","MoKα","","0.0458","0.0393","","","0.0965","0.1017","","","","","","1.031","","","","has coordinates","221854","2020-10-21","18:00:00",""
"4128791","13.949","0.003","9.712","0.002","19.552","0.005","90","","110.621","0.004","90","","2479.1","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H33 N3 O4.25 S Si -","- C21 H33 N3 O4.25 S Si -","- C84 H132 N12 O17 S4 Si4 -","4","2","","Pompeo, Matthew M.; Cheah, Jaime H.; Movassaghi, Mohammad","Total Synthesis and Anti-Cancer Activity of All Known Communesin Alkaloids and Related Derivatives.","Journal of the American Chemical Society","2019","141","36","14411","14420","10.1021/jacs.9b07397","","","0.71073","MoKα","","0.0844","0.0503","","","0.1051","0.1208","","","","","","1.05","","","","has coordinates,has disorder","221855","2020-10-21","18:00:00",""
"4128792","7.9317","0.0005","15.4939","0.0011","13.8939","0.0011","90","","92.123","0.004","90","","1706.3","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H48 N4 O5 S Si -","- C34 H48 N4 O5 S Si -","- C68 H96 N8 O10 S2 Si2 -","2","1","","Pompeo, Matthew M.; Cheah, Jaime H.; Movassaghi, Mohammad","Total Synthesis and Anti-Cancer Activity of All Known Communesin Alkaloids and Related Derivatives.","Journal of the American Chemical Society","2019","141","36","14411","14420","10.1021/jacs.9b07397","","","1.54178","CuKα","","0.0794","0.0665","","","0.1736","0.1861","","","","","","1.067","","","","has coordinates,has disorder","221856","2020-10-21","18:00:00",""
"4128793","7.8618","0.0001","17.7249","0.0003","27.6554","0.0005","90","","90","","90","","3853.77","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 N4 O4 S Si -","- C37 H48 N4 O4 S Si -","- C148 H192 N16 O16 S4 Si4 -","4","1","","Pompeo, Matthew M.; Cheah, Jaime H.; Movassaghi, Mohammad","Total Synthesis and Anti-Cancer Activity of All Known Communesin Alkaloids and Related Derivatives.","Journal of the American Chemical Society","2019","141","36","14411","14420","10.1021/jacs.9b07397","","","1.54178","CuKα","","0.0332","0.0312","","","0.0827","0.0843","","","","","","1.061","","","","has coordinates,has disorder","221857","2020-10-21","18:00:00",""
"4128794","8.1852","0.0002","30.4869","0.0007","31.5036","0.0008","90","","90","","90","","7861.5","0.3","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H45 N3 O8 -","- C39 H45 N3 O8 -","- C312 H360 N24 O64 -","8","2","","Boon, Byron A.; Boger, Dale L.","Triarylaminium Radical Cation Promoted Coupling of Catharanthine with Vindoline: Diastereospecific Synthesis of Anhydrovinblastine and Reaction Scope.","Journal of the American Chemical Society","2019","141","36","14349","14355","10.1021/jacs.9b06968","","x-ray","1.54178","CuKα","","0.0813","0.0506","","","0.1043","0.1161","","","","","","0.963","","","","has coordinates","221858","2020-10-21","18:00:00",""
"4128795","10.6544","0.0001","15.3909","0.0002","10.7835","0.0001","90","","96.457","0.001","90","","1757.07","0.03","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H47 N3 O9 -","- C39 H47 N3 O9 -","- C78 H94 N6 O18 -","2","1","","Boon, Byron A.; Boger, Dale L.","Triarylaminium Radical Cation Promoted Coupling of Catharanthine with Vindoline: Diastereospecific Synthesis of Anhydrovinblastine and Reaction Scope.","Journal of the American Chemical Society","2019","141","36","14349","14355","10.1021/jacs.9b06968","","x-ray","1.54178","CuKα","","0.0243","0.0243","","","0.0642","0.0643","","","","","","1.029","","","","has coordinates,has disorder","221859","2020-10-21","18:00:00",""
"4128796","6.678","0.0003","9.4722","0.0004","13.577","0.0006","72.958","0.002","83.61","0.002","77.293","0.002","799.99","0.06","100","","99.99","","","","","","","","","3","P -1","-P 1","2","","(3aS*,5aR*,9aR*)-3-acetyl-2-hydroxy-3a,6,6,9a-tetramethyl-1,3a,4,5,5a,6,8,9,9a,9b-decahydro-7H-cyclopenta[a]naphthalen-7-one","","- C19 H28 O3 -","- C19 H28 O3 -","- C38 H56 O6 -","2","1","","Boyko, Yaroslav D.; Huck, Christopher J.; Sarlah, David","Total Synthesis of Isomalabaricane Triterpenoids.","Journal of the American Chemical Society","2019","141","36","14131","14135","10.1021/jacs.9b08487","","x-ray","0.71073","MoKα","","0.0507","0.0427","","","0.1018","0.1074","","","","","","1.035","","","","has coordinates","221860","2020-10-21","18:00:00",""
"4128797","7.2188","0.0003","10.7692","0.0004","39.2149","0.0014","90","","93.005","0.001","90","","3044.4","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rel-(R)-1-((4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-((triisopropylsilyl)oxy)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)prop-2-yn-1-yl pivalate","","- C31 H54 O3 Si -","- C31 H54 O3 Si -","- C124 H216 O12 Si4 -","4","1","","Boyko, Yaroslav D.; Huck, Christopher J.; Sarlah, David","Total Synthesis of Isomalabaricane Triterpenoids.","Journal of the American Chemical Society","2019","141","36","14131","14135","10.1021/jacs.9b08487","","x-ray","0.71073","MoKα","","0.0688","0.0607","","","0.1733","0.1823","","","","","","1.108","","","","has coordinates,has disorder","221861","2020-10-21","18:00:00",""
"4128798","5.93927","","5.93927","","5.93927","","90","","90","","90","","209.507","","300","","300","","","","","","","","synthetic","3","F m -3 m","-F 4 2 3","225","","","","- Li2.33 P Si0.17 -","- Li2.33318 P Si0.16658 -","- Li9.33272 P4 Si0.66632 -","4","0.0208333","","Strangmüller, Stefan; Eickhoff, Henrik; Müller, David; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; Baran, Volodymyr; Senyshyn, Anatoliy; Deringer, Volker L.; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F","Fast Ionic Conductivity in the Most Lithium-Rich Phosphidosilicate Li<sub>14</sub>SiP<sub>6</sub>.","Journal of the American Chemical Society","2019","141","36","14200","14209","10.1021/jacs.9b05301","powder diffraction","neutron","1.54817","ConstantWavelengthNeutronDiffraction","","","","","","","","","9.1189","2.5959","","","","","","","has coordinates","221862","2020-10-21","18:00:00",""
"4128799","5.9253","0.0007","5.9253","0.0007","5.9253","0.0007","90","","90","","90","","208.03","0.04","123","2","123","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Li2.33 P Si0.17 -","- Li2.3334 P Si0.1666 -","- Li9.3336 P4 Si0.6664 -","4","0.0208333","","Strangmüller, Stefan; Eickhoff, Henrik; Müller, David; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; Baran, Volodymyr; Senyshyn, Anatoliy; Deringer, Volker L.; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F","Fast Ionic Conductivity in the Most Lithium-Rich Phosphidosilicate Li<sub>14</sub>SiP<sub>6</sub>.","Journal of the American Chemical Society","2019","141","36","14200","14209","10.1021/jacs.9b05301","","","0.71073","MoKα","","0.0523","0.041","","","0.0861","0.0907","","","","","","1.182","","","","has coordinates","221863","2020-10-21","18:00:00",""
"4128800","5.91566","0.00006","5.91566","0.00006","5.91566","0.00006","90","","90","","90","","207.019","0.004","4","","4","","","","","","","","synthetic","3","F m -3 m","-F 4 2 3","225","","","","- Li2.33 P Si0.17 -","- Li2.337 P Si0.1668 -","- Li9.348 P4 Si0.6672 -","4","0.0208333","","Strangmüller, Stefan; Eickhoff, Henrik; Müller, David; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; Baran, Volodymyr; Senyshyn, Anatoliy; Deringer, Volker L.; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F","Fast Ionic Conductivity in the Most Lithium-Rich Phosphidosilicate Li<sub>14</sub>SiP<sub>6</sub>.","Journal of the American Chemical Society","2019","141","36","14200","14209","10.1021/jacs.9b05301","powder diffraction","neutron","1.5482","ConstantWavelengthNeutronDiffraction","","","","","","","","","11.528","3.6614","","","","","","","has coordinates","221865","2020-10-21","18:00:00",""
"4128801","16.5756","0.0009","15.8984","0.0007","17.2953","0.001","90","","118.081","0.007","90","","4021.2","0.4","300.15","","300.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cl2 Fe N8 O12 -","- C38 H32 Cl2 Fe N8 O12 -","- C152 H128 Cl8 Fe4 N32 O48 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.0733","0.0445","","","0.1173","0.1289","","","","","","1.055","","","","has coordinates,has disorder","221866","2020-10-21","18:00:00",""
"4128802","16.8192","0.0011","15.8059","0.0008","17.0759","0.0011","90","","117.852","0.008","90","","4013.6","0.5","25","","25","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C144 H104 As8 Cl8 F48 Fe4 N32 O8 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.1062","0.0655","","","0.1285","0.1489","","","","","","1.037","","","","has coordinates,has disorder","221867","2020-10-21","18:00:00",""
"4128803","16.3409","0.0008","15.5665","0.0005","16.8955","0.0008","90","","117.187","0.006","90","","3822.9","0.4","150.15","","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cl2 Fe N8 O12 -","- C38 H32 Cl2 Fe N8 O12 -","- C152 H128 Cl8 Fe4 N32 O48 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.0688","0.0524","","","0.1352","0.1436","","","","","","1.066","","","","has coordinates","221868","2020-10-21","18:00:00",""
"4128804","16.4896","0.0006","16.0053","0.0004","16.6301","0.0006","90","","116.615","0.005","90","","3924","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C144 H104 As8 Cl8 F48 Fe4 N32 O8 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.0597","0.0465","","","0.1011","0.1086","","","","","","1.062","","","","has coordinates","221869","2020-10-21","18:00:00",""
"4128805","16.5677","0.0003","16.0511","0.0002","16.6587","0.0003","90","","116.445","0.002","90","","3966.5","0.13","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C144 H104 As8 Cl8 F48 Fe4 N32 O8 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.0353","0.0297","","","0.07","0.0728","","","","","","1.024","","","","has coordinates","221870","2020-10-21","18:00:00",""
"4128806","16.876","0.0008","16.172","0.0005","17.2329","0.0008","90","","117.797","0.006","90","","4160.5","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C144 H104 As8 Cl8 F48 Fe4 N32 O8 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.1279","0.0702","","","0.184","0.2157","","","","","","1.046","","","","has coordinates","221871","2020-10-21","18:00:00",""
"4128807","7.6636","0.0002","9.5929","0.0002","10.8499","0.0002","86.249","0.002","76.166","0.002","79.11","0.002","760.39","0.03","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","2","","Spielmann, Kim; Xiang, Ming; Schwartz, Leyah A.; Krische, Michael J.","Direct Conversion of Primary Alcohols to 1,2-Amino Alcohols: Enantioselective Iridium-Catalyzed Carbonyl Reductive Coupling of Phthalimido-Allene via Hydrogen Auto-Transfer.","Journal of the American Chemical Society","2019","141","36","14136","14141","10.1021/jacs.9b08715","","","1.54184","CuKα","","0.0367","0.0357","","","0.0952","0.0961","","","","","","1.048","","","","has coordinates","221872","2020-10-21","18:00:00",""
"4128808","8.3815","0.0002","22.425","0.0002","8.6781","0.0002","90","","117.675","0.002","90","","1444.49","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","2","","Spielmann, Kim; Xiang, Ming; Schwartz, Leyah A.; Krische, Michael J.","Direct Conversion of Primary Alcohols to 1,2-Amino Alcohols: Enantioselective Iridium-Catalyzed Carbonyl Reductive Coupling of Phthalimido-Allene via Hydrogen Auto-Transfer.","Journal of the American Chemical Society","2019","141","36","14136","14141","10.1021/jacs.9b08715","","","1.54184","CuKα","","0.0378","0.0372","","","0.1006","0.1026","","","","","","1.02","","","","has coordinates","221873","2020-10-21","18:00:00",""
"4128809","14.339","0.002","17.764","0.002","18.92","0.003","90","","90","","90","","4819.3","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H55 Ir N2 O7 P2 -","- C58 H55 Ir N2 O7 P2 -","- C232 H220 Ir4 N8 O28 P8 -","4","1","","Spielmann, Kim; Xiang, Ming; Schwartz, Leyah A.; Krische, Michael J.","Direct Conversion of Primary Alcohols to 1,2-Amino Alcohols: Enantioselective Iridium-Catalyzed Carbonyl Reductive Coupling of Phthalimido-Allene via Hydrogen Auto-Transfer.","Journal of the American Chemical Society","2019","141","36","14136","14141","10.1021/jacs.9b08715","","","0.71073","MoKα","","0.0489","0.0377","","","0.0773","0.0806","","","","","","1.024","","","","has coordinates","221874","2020-10-21","18:00:00",""
"4128810","16.136","0.002","17.35","0.002","18.583","0.002","106.541","0.002","105.313","0.002","90.983","0.002","4786.1","1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C176 H230 Au24 N Pt S18 -","- C176 H230 Au24 N Pt S18 -","- C176 H230 Au24 N Pt S18 -","1","0.5","","Suyama, Megumi; Takano, Shinjiro; Nakamura, Toshikazu; Tsukuda, Tatsuya","Stoichiometric Formation of Open-Shell [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>-</sup> via Spontaneous Electron Proportionation between [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>2-</sup> and [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>0</sup>.","Journal of the American Chemical Society","2019","141","36","14048","14051","10.1021/jacs.9b06254","","","0.71075","MoKα","","0.045","0.0383","","","0.0693","0.0724","","","","","","1.082","","","","has coordinates,has disorder","221875","2020-10-21","18:00:00",""
"4128811","16.134","0.002","17.69","0.002","17.7811","0.0018","65.139","0.006","64.59","0.007","81.463","0.009","4156","0.9","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H178 Au24 Pt S18 -","- C158 H178 Au24 Pt S18 -","- C158 H178 Au24 Pt S18 -","1","0.5","","Suyama, Megumi; Takano, Shinjiro; Nakamura, Toshikazu; Tsukuda, Tatsuya","Stoichiometric Formation of Open-Shell [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>-</sup> via Spontaneous Electron Proportionation between [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>2-</sup> and [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>0</sup>.","Journal of the American Chemical Society","2019","141","36","14048","14051","10.1021/jacs.9b06254","","","0.71075","MoKα","","0.0538","0.0473","","","0.0861","0.0892","","","","","","1.11","","","","has coordinates,has disorder","221876","2020-10-21","18:00:00",""
"4128812","22.837","0.005","34.096","0.007","29.287","0.007","90","","90.867","0.007","90","","22802","9","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C208 H298 Au24 N2 Pt S18 -","- C208 H298 Au24 N2 Pt S18 -","- C832 H1192 Au96 N8 Pt4 S72 -","4","0.5","","Suyama, Megumi; Takano, Shinjiro; Nakamura, Toshikazu; Tsukuda, Tatsuya","Stoichiometric Formation of Open-Shell [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>-</sup> via Spontaneous Electron Proportionation between [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>2-</sup> and [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>0</sup>.","Journal of the American Chemical Society","2019","141","36","14048","14051","10.1021/jacs.9b06254","","","1.54187","CuKα","","0.0701","0.0634","","","0.162","0.1676","","","","","","1.139","","","","has coordinates","221877","2020-10-21","18:00:00",""
"4128813","52.6707","0.0006","18.785","0.0002","17.85193","0.00018","90","","90","","90","","17663","0.3","150","0.1","150","0.1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C100 H120 B6 F24 N26 O6 Zn3 -","- C100 H120 B6 F24 N26 O6 Zn3 -","- C600 H720 B36 F144 N156 O36 Zn18 -","6","1.5","","Zhong, Jiankang; Zhang, Liang; August, David P.; Whitehead, George F. S.; Leigh, David A.","Self-Sorting Assembly of Molecular Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2019","141","36","14249","14256","10.1021/jacs.9b06127","","x-ray","1.54184","CuKα","","0.0767","0.0708","","","0.2005","0.207","","","","","","1.05","","","","has coordinates,has disorder","221878","2020-10-21","18:00:00",""
"4128814","51.9276","0.0007","18.8837","0.0002","18.2355","0.0002","90","","90","","90","","17881.5","0.4","100","0.2","100","0.2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C251 H287 B18 F72 N54 O18 Zn9 -","- C251 H287 B18 F72 N54 O18 Zn9 -","- C502 H574 B36 F144 N108 O36 Zn18 -","2","0.5","","Zhong, Jiankang; Zhang, Liang; August, David P.; Whitehead, George F. S.; Leigh, David A.","Self-Sorting Assembly of Molecular Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2019","141","36","14249","14256","10.1021/jacs.9b06127","","","0.6889","synchrotron","","0.1384","0.1001","","","0.2847","0.3229","","","","","","1.094","","","","has coordinates,has disorder","221879","2020-10-21","18:00:00",""
"4128815","17.4608","0.001","20.0262","0.0006","17.657","0.0012","90","","113.308","0.007","90","","5670.3","0.6","149.99","0.1","149.99","0.1","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C98 H114 B3 Co3 F12 N22 O12 -","- C98 H114 B3 Co3 F12 N22 O12 -","- C196 H228 B6 Co6 F24 N44 O24 -","2","0.5","","Zhong, Jiankang; Zhang, Liang; August, David P.; Whitehead, George F. S.; Leigh, David A.","Self-Sorting Assembly of Molecular Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2019","141","36","14249","14256","10.1021/jacs.9b06127","","x-ray","1.54184","CuKα","","0.1383","0.12","","","0.3169","0.3485","","","","","","1.453","","","","has coordinates,has disorder","221880","2020-10-21","18:00:00",""
"4128816","13.0079","0.0006","14.5518","0.0005","18.7581","0.0007","67.779","0.004","76.113","0.004","79.561","0.003","3174.7","0.2","150","2","150.01","0.1","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C48 H24 O6 -","- C48 H24 O6 -","- C96 H48 O12 -","2","1","","Martínez-Abadía, Marta; Stoppiello, Craig T.; Strutynski, Karol; Lerma-Berlanga, Belén; Martí-Gastaldo, Carlos; Saeki, Akinori; Melle-Franco, Manuel; Khlobystov, Andrei N.; Mateo-Alonso, Aurelio","A Wavy Two-Dimensional Covalent Organic Framework from Core-Twisted Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2019","141","36","14403","14410","10.1021/jacs.9b07383","","x-ray","1.54184","CuKα","","0.0989","0.0784","","","0.2489","0.2681","","","","","","1.033","","","","has coordinates","221881","2020-10-21","18:00:00",""
"4128817","16.188","0.005","6.624","0.002","13.52","0.006","90","","90","","90","","1449.7","0.9","110","","110","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 H4 Al O7.61 -","- C8 H5 Al O6.998 -","- C32 H20 Al4 O27.992 -","4","0.25","","Chen, Shoushun; Mukherjee, Soumya; Lucier, Bryan E. G.; Guo, Ying; Wong, Y. T. Angel; Terskikh, Victor V.; Zaworotko, Michael J.; Huang, Yining","Cleaving Carboxyls: Understanding Thermally Triggered Hierarchical Pores in the Metal-Organic Framework MIL-121.","Journal of the American Chemical Society","2019","141","36","14257","14271","10.1021/jacs.9b06194","","","0.71073","MoKα","","0.0765","0.0665","","","0.1912","0.1975","","","","","","1.452","","","","has coordinates,has disorder","221882","2020-10-21","18:00:00",""
"4128818","3.8605","0.0002","3.8605","0.0002","15.8008","0.0003","90","","90","","90","","235.487","0.018","293","","293","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Fe4 N0.42 Se4.48 -","- Fe4 N0.416 Se4.48 -","- Fe4 N0.416 Se4.48 -","1","0.03125","","Sun, Ruijin; Jin, Shifeng; Gu, Lin; Zhang, Qinghua; Huang, Qingzhen; Ying, Tianping; Peng, YiRan; Deng, Jun; Yin, Zhiping; Chen, Xiaolong","Intercalating Anions between Terminated Anion Layers: Unusual Ionic S-Se Bonds and Hole-Doping Induced Superconductivity in S<sub>0.24</sub>(NH<sub>3</sub>)<sub>0.26</sub>Fe<sub>2</sub>Se<sub>2</sub>.","Journal of the American Chemical Society","2019","141","35","13849","13857","10.1021/jacs.9b05899","","x-ray","0.71069","MoKα","","0.047","0.048","","","0.103","0.103","","","","1.33","1.33","1.33","","","","has coordinates","221883","2020-10-21","18:00:00",""
"4128819","3.8528","0.0002","3.8528","0.0002","15.233","0.0003","90","","90","","90","","226.12","0.017","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe4 N0.48 S0.24 Se4 -","- Fe4 N0.48 S0.24 Se4 -","- Fe4 N0.48 S0.24 Se4 -","1","0.03125","","Sun, Ruijin; Jin, Shifeng; Gu, Lin; Zhang, Qinghua; Huang, Qingzhen; Ying, Tianping; Peng, YiRan; Deng, Jun; Yin, Zhiping; Chen, Xiaolong","Intercalating Anions between Terminated Anion Layers: Unusual Ionic S-Se Bonds and Hole-Doping Induced Superconductivity in S<sub>0.24</sub>(NH<sub>3</sub>)<sub>0.26</sub>Fe<sub>2</sub>Se<sub>2</sub>.","Journal of the American Chemical Society","2019","141","35","13849","13857","10.1021/jacs.9b05899","","x-ray","0.71069","MoKα","","0.0269","0.0267","","","0.068","0.068","","","","1.169","1.169","1.169","","","","has coordinates","221884","2020-10-21","18:00:00",""
"4128820","17.1722","0.0002","6.3329","0.0001","21.8632","0.0003","90","","102.144","0.001","90","","2324.41","0.06","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C96 H132 N4 O16 -","4","1","","Shu, Wei; García-Domínguez, Andrés; Quirós, M Teresa; Mondal, Rahul; Cárdenas, Diego J; Nevado, Cristina","Ni-Catalyzed Reductive Dicarbofunctionalization of Nonactivated Alkenes: Scope and Mechanistic Insights.","Journal of the American Chemical Society","2019","141","35","13812","13821","10.1021/jacs.9b02973","","x-ray","1.54184","CuKα","","0.0432","0.0385","","","0.1026","0.1073","","","","","","1.06","","","","has coordinates","221885","2020-10-21","18:00:00",""
"4128821","16.03406","0.00016","5.88869","0.00005","18.24264","0.00014","90","","91.1868","0.0008","90","","1722.09","0.03","160","2","160","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C35 H49 N O8 -","- C35 H49 N O8 -","- C70 H98 N2 O16 -","2","1","","Shu, Wei; García-Domínguez, Andrés; Quirós, M Teresa; Mondal, Rahul; Cárdenas, Diego J; Nevado, Cristina","Ni-Catalyzed Reductive Dicarbofunctionalization of Nonactivated Alkenes: Scope and Mechanistic Insights.","Journal of the American Chemical Society","2019","141","35","13812","13821","10.1021/jacs.9b02973","","x-ray","1.54184","CuKα","","0.0284","0.0278","","","0.0755","0.0766","","","","","","1.034","","","","has coordinates,has disorder","221886","2020-10-21","18:00:00",""
"4128822","12.0361","0.0004","15.2317","0.0006","16.9141","0.0007","94.8002","0.0015","102.961","0.0014","92.4223","0.0012","3005.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C77.88 H69.7 B2 Cl N4 -","- C77.885 H69.705 B2 Cl N4 -","- C155.77 H139.41 B4 Cl2 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1636","0.0772","","","0.1641","0.2106","","","","","","1.028","","","","has coordinates,has disorder","221887","2020-10-21","18:00:00",""
"4128823","19.5364","0.0005","16.2465","0.0004","18.3739","0.0004","90","","110.386","0.0013","90","","5466.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H55 B2 Cl F4 N4 -","- C66 H55 B2 Cl F4 N4 -","- C264 H220 B8 Cl4 F16 N16 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1076","0.0785","","","0.2048","0.2315","","","","","","1.035","","","","has coordinates,has disorder","221888","2020-10-21","18:00:00",""
"4128824","7.9791","0.0002","13.3099","0.0003","24.0035","0.0005","88.605","0.001","82.443","0.001","87.184","0.001","2523.59","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H50 B2 Cl F3 N4 -","- C60 H50 B2 Cl F3 N4 -","- C120 H100 B4 Cl2 F6 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1052","0.0748","","","0.2193","0.2504","","","","","","1.028","","","","has coordinates,has disorder","221889","2020-10-21","18:00:00",""
"4128825","14.2653","0.0005","15.3826","0.0005","15.3931","0.0005","96.7682","0.0012","99.396","0.0013","107.461","0.0012","3128.59","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H77 B2 Cl2 N5 -","- C74 H77 B2 Cl2 N5 -","- C148 H154 B4 Cl4 N10 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1109","0.0637","","","0.1326","0.1602","","","","","","1.032","","","","has coordinates,has disorder","221890","2020-10-21","18:00:00",""
"4128826","11.6604","0.0007","15.3379","0.0009","19.2293","0.0011","72.822","0.002","81.704","0.002","86.546","0.002","3250.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C83.5 H75 B2 Cl N4 -","- C83.5 H75 B2 Cl N4 -","- C167 H150 B4 Cl2 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1299","0.0741","","","0.1822","0.2207","","","","","","1.033","","","","has coordinates,has disorder","221891","2020-10-21","18:00:00",""
"4128827","19.6907","0.0006","14.3623","0.0003","19.9646","0.0006","90","","98.5582","0.0012","90","","5583.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H59 B2 Cl F6 N4 O -","- C66 H59 B2 Cl F6 N4 O -","- C264 H236 B8 Cl4 F24 N16 O4 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1436","0.0759","","","0.1394","0.1689","","","","","","1.066","","","","has coordinates,has disorder","221892","2020-10-21","18:00:00",""
"4128828","19.0799","0.0008","16.0622","0.0007","18.6758","0.0007","90","","110.76","0.0018","90","","5351.9","0.4","119","2","119","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H50 B2 Cl3 F5 N4 -","- C61 H50 B2 Cl3 F5 N4 -","- C244 H200 B8 Cl12 F20 N16 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1451","0.0764","","","0.1885","0.2268","","","","","","1.027","","","","has coordinates,has disorder","221893","2020-10-21","18:00:00",""
"4128829","7.9297","0.0003","13.2859","0.0005","23.9485","0.0007","88.5324","0.0011","82.9959","0.0011","87.8142","0.0012","2501.84","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H51 B2 Cl2 F N4 -","- C60 H51 B2 Cl2 F N4 -","- C120 H102 B4 Cl4 F2 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1474","0.0711","","","0.149","0.189","","","","","","1.018","","","","has coordinates","221894","2020-10-21","18:00:00",""
"4128830","11.7205","0.0006","28.0408","0.0011","15.0652","0.0006","90","","93.355","0.002","90","","4942.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H53 B2 Cl N4 -","- C60 H53 B2 Cl N4 -","- C240 H212 B8 Cl4 N16 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1508","0.0654","","","0.1448","0.1879","","","","","","1.01","","","","has coordinates,has disorder","221895","2020-10-21","18:00:00",""
"4128831","12.0725","0.0006","15.2456","0.0009","15.3727","0.0009","102.786","0.002","91.599","0.002","93.628","0.002","2751.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70.85 H62.7 B2 Cl N4 -","- C70.851 H62.702 B2 Cl N4 -","- C141.702 H125.404 B4 Cl2 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1069","0.0573","","","0.1141","0.142","","","","","","1.011","","","","has coordinates,has disorder","221896","2020-10-21","18:00:00",""
"4128832","19.3413","0.0004","16.1624","0.0003","18.4816","0.0005","90","","111.136","0.001","90","","5388.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H50 B2 Cl4 F4 N4 -","- C61 H50 B2 Cl4 F4 N4 -","- C244 H200 B8 Cl16 F16 N16 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1257","0.059","","","0.1274","0.1566","","","","","","1.026","","","","has coordinates,has disorder","221897","2020-10-21","18:00:00",""
"4128833","11.9887","0.0003","13.3305","0.0004","16.2603","0.0005","90.7115","0.001","100.257","0.001","101.531","0.001","2502.4","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H64 B N5 -","- C61 H64 B N5 -","- C122 H128 B2 N10 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.0747","0.0527","","","0.1282","0.1481","","","","","","1.044","","","","has coordinates","221898","2020-10-21","18:00:00",""
"4128834","13.1184","0.0004","13.2082","0.0004","25.291","0.0008","87.7958","0.0017","87.8829","0.0016","89.479","0.0018","4375.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H47 B2 Cl N4 -","- C54 H47 B2 Cl N4 -","- C216 H188 B8 Cl4 N16 -","4","2","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","1.54178","CuKα","","0.1005","0.0914","","","0.2424","0.2547","","","","","","1.034","","","","has coordinates,has disorder","221899","2020-10-21","18:00:00",""
"4128835","12.2016","0.0011","15.2052","0.0014","17.0465","0.0016","96.263","0.002","97.224","0.002","92.9468","0.0019","3112","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82.5 H71 B2 Cl N4 -","- C82.5 H71 B2 Cl N4 -","- C165 H142 B4 Cl2 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.2109","0.0932","","","0.2249","0.2743","","","","","","0.981","","","","has coordinates,has disorder","221900","2020-10-21","18:00:00",""
"4128836","16.2643","0.0005","18.3466","0.0005","17.5397","0.0006","90","","99.7639","0.0012","90","","5157.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H55 B2 Cl3 N4 -","- C61 H55 B2 Cl3 N4 -","- C244 H220 B8 Cl12 N16 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1091","0.0618","","","0.1455","0.179","","","","","","1.036","","","","has coordinates,has disorder","221901","2020-10-21","18:00:00",""
"4128837","6.1503","0.0012","12.927","0.003","21.54","0.004","90","","90.01","0.03","90","","1712.5","0.6","113","","113","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 N2 O2 -","- C42 H28 N2 O2 -","- C84 H56 N4 O4 -","2","0.5","","Li, Yusen; Chen, Qing; Xu, Tiantian; Xie, Zhen; Liu, Jingjuan; Yu, Xiang; Ma, Shengqian; Qin, Tianshi; Chen, Long","De Novo Design and Facile Synthesis of 2D Covalent Organic Frameworks: A Two-in-One Strategy.","Journal of the American Chemical Society","2019","141","35","13822","13828","10.1021/jacs.9b03463","","","0.71073","MoKα","","0.1589","0.083","","","0.179","0.2174","","","","","","0.951","","","","has coordinates","221902","2020-10-21","18:00:00",""
"4128838","12.73","0.0009","8.7313","0.0006","20.2583","0.0014","90","","94.11","0.004","90","","2245.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","KO001","","","- C28 H35 N O4 -","- C28 H35 N O4 -","- C112 H140 N4 O16 -","4","1","","Owens, Kyle R.; McCowen, Shelby V.; Blackford, Katherine A.; Ueno, Sohei; Hirooka, Yasuo; Weber, Manuel; Sarpong, Richmond","Total Synthesis of the Diterpenoid Alkaloid Arcutinidine Using a Strategy Inspired by Chemical Network Analysis.","Journal of the American Chemical Society","2019","141","35","13713","13717","10.1021/jacs.9b05815","","","0.71073","MoKα","","0.0523","0.0462","","","0.1205","0.1255","","","","","","1.046","","","","has coordinates","221903","2020-10-21","18:00:00",""
"4128839","19.4305","0.0017","11.3245","0.0011","9.1511","0.0009","90","","95.302","0.005","90","","2005","0.3","298","","298","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","TGF beta","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C88 H76 N20 O4 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","powder diffraction","","1.5418","","","","","","","","","","","8.603","","","","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128840","8.2116","0.0011","11.5104","0.0014","11.8746","0.0018","102.001","0.01","105.368","0.011","102.349","0.009","1014.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C44 H38 N10 O2 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.2542","0.1506","","","0.3149","0.3669","","","","","","1.027","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128841","7.7119","0.0014","8.9111","0.0017","14.617","0.002","81.906","0.013","78.799","0.014","75.258","0.015","948.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C44 H38 N10 O2 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0701","0.0598","","","0.1348","0.1421","","","","","","1.139","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128842","18.9981","0.0011","9.8532","0.0006","21.8829","0.0013","90","","113.219","0.003","90","","3764.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C176 H152 N40 O8 -","8","2","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0541","0.0416","","","0.0947","0.1011","","","","","","1.032","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128843","8.2599","0.0003","19.6072","0.0014","12.6913","0.0006","90","","116.545","0.002","90","","1838.73","0.17","298","2","298","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","TGF beta","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C88 H76 N20 O4 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","powder diffraction","","","","","","","","","","","","","2.783","","","","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128844","10.727","0.0003","14.4711","0.0005","12.705","0.0004","90","","107.112","0.0017","90","","1884.91","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C88 H76 N20 O4 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0632","0.0521","","","0.1391","0.1489","","","","","","1.088","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128845","8.134","0.002","12.62","0.004","18.059","0.003","86.707","0.019","100.094","0.015","83.303","0.019","1806.9","0.8","298","","298","2","","","","","","","see text","4","P -1","-P 1","2","TGF beta","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C88 H76 N20 O4 -","4","2","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","powder diffraction","","1.5418","","","","","","","","","","","4.23","","","","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128846","8.5537","0.0002","11.3718","0.0004","11.5674","0.0005","65.784","0.003","105.495","0.003","77.315","0.002","916.89","0.07","298","","298","","","","","","","","see text","4","P -1","-P 1","2","TGF Beta","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C44 H38 N10 O2 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","powder diffraction","x-ray","1.54081","CuKα~1~","","","","","","","","","","3.164","","","","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128847","11.3011","0.0003","20.8473","0.0005","8.10637","0.00017","90","","98.879","0.002","90","","1886.95","0.08","298","","298","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","TGF beta","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C88 H76 N20 O4 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","powder diffraction","","1.5418","","","","","","","","","","","3.86","","","","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128848","27.938","0.004","8.0817","0.0007","22.004","0.003","90","","133.55","0.03","90","","3601","2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C176 H152 N40 O8 -","8","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","x-ray","1.54184","CuKα","","0.1078","0.0681","","","0.1535","0.1761","","","","","","1.068","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128849","27.654","0.013","8.108","0.008","21.934","0.011","90","","133.41","0.08","90","","3573","6","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C176 H152 N40 O8 -","8","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","x-ray","0.4859","Synchrotron","","0.2209","0.1157","","","0.2699","0.35","","","","","","1.105","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128850","8.0458","0.0004","22.6024","0.001","11.2097","0.0005","90","","106.274","0.002","90","","1956.85","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N5 O2 -","- C23 H23 N5 O2 -","- C92 H92 N20 O8 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0501","0.0468","","","0.121","0.1247","","","","","","1.075","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128851","8.082","0.0004","9.258","0.0004","15.525","0.0007","73.338","0.002","89.974","0.002","84.594","0.002","1107.48","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C24 H25 N5 O2 -","- C24 H25 N5 O2 -","- C48 H50 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0474","0.0431","","","0.1094","0.113","","","","","","1.004","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128852","9.0505","0.0007","11.3624","0.0009","19.1323","0.0016","90","","94.954","0.003","90","","1960.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N5 O2 -","- C22 H21 N5 O2 -","- C88 H84 N20 O8 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","0.71073","MoKα","","0.0916","0.063","","","0.1317","0.1437","","","","","","1.035","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128853","7.772","0.0011","11.8319","0.0018","12.8267","0.0017","89.03","0.009","74.293","0.008","82.225","0.01","1124.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C25 H27 N5 O2 -","- C25 H27 N5 O2 -","- C50 H54 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0927","0.0576","","","0.1152","0.128","","","","","","1.041","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128854","8.1145","0.0008","12.0611","0.0013","12.5401","0.0013","88.454","0.005","79.842","0.004","76.813","0.005","1176.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C26 H29 N5 O2 -","- C26 H29 N5 O2 -","- C52 H58 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0454","0.0416","","","0.1053","0.1083","","","","","","1.012","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128855","8.1676","0.0002","11.9112","0.0003","12.7014","0.0003","89.4745","0.0011","81.236","0.0014","75.9211","0.0011","1184.05","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","TGF beta","","","- C26 H29 N5 O2 -","- C26 H29 N5 O2 -","- C52 H58 N10 O4 -","2","2","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0544","0.0486","","","0.1258","0.1324","","","","","","0.997","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128856","8.0879","0.0006","12.3578","0.0009","12.8909","0.0009","85.722","0.003","77.875","0.003","74.707","0.003","1214.83","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C27 H31 N5 O2 -","- C27 H31 N5 O2 -","- C54 H62 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0405","0.0369","","","0.0908","0.0934","","","","","","1.006","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128857","10.6011","0.0008","11.6654","0.0009","12.5667","0.0009","69.035","0.003","86.603","0.002","81.573","0.002","1435.49","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C30 H35 N5 O5 -","- C30 H35 N5 O5 -","- C60 H70 N10 O10 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0364","0.0349","","","0.0871","0.0882","","","","","","1.006","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128858","7.7332","0.0003","11.4956","0.0004","12.1986","0.0004","85.299","0.002","84.505","0.002","85.518","0.002","1073.11","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF beta","","","- C24 H25 N5 O3 -","- C24 H25 N5 O3 -","- C48 H50 N10 O6 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0451","0.0378","","","0.0925","0.0968","","","","","","1.019","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128859","8.6946","0.0004","10.964","0.0004","12.9344","0.0005","77.737","0.0016","88.5612","0.0017","79.1558","0.0019","1183.21","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF beta","","","- C26 H28 N6 O2 -","- C26 H28 N6 O2 -","- C52 H56 N12 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0695","0.0654","","","0.1692","0.1772","","","","","","1.08","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128860","8.3929","0.0007","11.7452","0.0009","12.0347","0.001","92.483","0.003","106.415","0.004","97.071","0.004","1125.52","0.16","101","2","101","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C26 H27 N5 O2 -","- C26 H27 N5 O2 -","- C52 H54 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0533","0.0453","","","0.1267","0.1306","","","","","","1.625","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128861","8.4961","0.0008","10.3766","0.001","12.7043","0.0012","103.239","0.005","91.904","0.005","94.505","0.005","1085.37","0.18","101","2","101","2","","","","","","","","5","P -1","-P 1","2","TGF beta","","","- C23 H21 Cl2 N5 O -","- C23 H21 Cl2 N5 O -","- C46 H42 Cl4 N10 O2 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0667","0.0538","","","0.1286","0.1378","","","","","","1.028","","","","has coordinates,has disorder","221904","2020-10-21","18:00:00",""
"4128862","9.8533","0.0007","11.2079","0.0006","11.5743","0.0006","101.869","0.002","105.813","0.002","105.56","0.002","1129.91","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N5 O2 -","- C26 H27 N5 O2 -","- C52 H54 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0534","0.0474","","","0.117","0.1215","","","","","","1.038","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128863","8.184","0.0008","12.0219","0.0012","12.6533","0.0012","89.543","0.006","81.238","0.006","75.349","0.006","1189.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N5 O2 -","- C26 H28 N5 O2 -","- C52 H56 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.1551","0.1397","","","0.3933","0.4038","","","","","","1.083","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128864","8.11","0.0004","11.6569","0.0006","12.7599","0.0006","90.026","0.004","99.248","0.004","101.238","0.004","1167.15","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N5 O2 -","- C24 H25 N5 O2 -","- C48 H50 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.1131","0.0807","","","0.187","0.2116","","","","","","1.051","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128865","9.5331","0.0011","10.9792","0.0013","11.6291","0.0017","66.668","0.012","65.944","0.008","78.915","0.009","1019.9","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N5 O3 -","- C24 H23 N5 O3 -","- C48 H46 N10 O6 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.1389","0.087","","","0.2063","0.2361","","","","","","0.958","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128866","8.048","0.0008","11.4825","0.0013","12.8727","0.0013","89.28","0.007","80.416","0.007","79.313","0.007","1152.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 N5 O2 -","- C25 H24 N5 O2 -","- C50 H48 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.1615","0.1247","","","0.3621","0.3839","","","","","","1.35","","","","has coordinates,has disorder","221904","2020-10-21","18:00:00",""
"4128867","8.5823","0.0011","11.0257","0.0018","12.7778","0.0016","101.925","0.012","92.429","0.011","97.579","0.012","1169.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF beta","","","- C27 H28 N5 O2 -","- C27 H27 N5 O2 -","- C54 H54 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.2279","0.1326","","","0.3086","0.3683","","","","","","1.044","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128868","12.1495","0.0014","8.4511","0.0009","20.111","0.002","90","","93.551","0.007","90","","2061","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TGF beta","","","- C26 H27 N5 O2 -","- C24 H22 N5 O1.5 -","- C96 H88 N20 O6 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0581","0.0412","","","0.0769","0.0884","","","","","","0.616","","","","has coordinates,has disorder","221904","2020-10-21","18:00:00",""
"4128869","9.966","0.0006","33.73","0.002","7.3404","0.0005","90","","106.892","0.002","90","","2361","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TGF beta","","","- C27 H28 N6 O2 -","- C27 H28 N6 O2 -","- C108 H112 N24 O8 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0441","0.0423","","","0.1065","0.1076","","","","","","1.125","","","","has coordinates,has disorder","221904","2020-10-21","18:00:00",""
"4128870","7.2979","0.0002","12.0524","0.0004","23.9963","0.0008","90","","90","","90","","2110.65","0.11","170","2","169.94","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O3 -","- C25 H35 N O3 -","- C100 H140 N4 O12 -","4","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.34139","GaKα","","0.0605","0.0532","","","0.1465","0.1535","","","","","","1.069","","","","has coordinates","221905","2020-10-21","18:00:00",""
"4128871","11.5553","0.0005","21.4201","0.0009","26.2735","0.0012","90","","90","","90","","6503.1","0.5","170","2","169.96","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O3 -","- C25 H35 N O3 -","- C300 H420 N12 O36 -","12","3","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.34139","GaKα","","0.1252","0.1","","","0.2648","0.2954","","","","","","1.13","","","","has coordinates,has disorder","221906","2020-10-21","18:00:00",""
"4128872","7.1018","0.0002","13.3284","0.0003","17.4801","0.0004","90","","90","","90","","1654.59","0.07","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O4 -","- C19 H28 O4 -","- C76 H112 O16 -","4","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.34139","GaKα","","0.0284","0.0276","","","0.0702","0.0708","","","","","","1.084","","","","has coordinates","221907","2020-10-21","18:00:00",""
"4128873","7.3364","0.0001","11.6884","0.0002","23.7649","0.0004","90","","90","","90","","2037.86","0.06","170","2","170.04","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N O3 -","- C24 H33 N O3 -","- C96 H132 N4 O12 -","4","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.34139","GaKα","","0.0509","0.0382","","","0.078","0.0846","","","","","","1.091","","","","has coordinates","221908","2020-10-21","18:00:00",""
"4128874","7.644","0.0001","13.4193","0.0003","14.4712","0.0003","90","","90","","90","","1484.41","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.54178","CuKα","","0.0375","0.0356","","","0.092","0.094","","","","","","1.044","","","","has coordinates","221909","2020-10-21","18:00:00",""
"4128875","12.1921","0.0003","15.8104","0.0004","17.6415","0.0004","90","","90","","90","","3400.61","0.14","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C20 H28 N O2.5 -","- C20 H28 N O2.5 -","- C160 H224 N8 O20 -","8","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.54178","CuKα","","0.0449","0.0398","","","0.0979","0.1024","","","","","","1.064","","","","has coordinates","221910","2020-10-21","18:00:00",""
"4128876","12.9425","0.0012","8.5046","0.0008","19.818","0.002","90","","96.031","0.01","90","","2169.3","0.4","292.9","0.1","292.9","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23.25 H20.5 F2 N2 O5 -","- C23.25 H20.5 F2 N2 O5 -","- C93 H82 F8 N8 O20 -","4","1","","Wang, Xin-Gang; Li, Yuke; Liu, Hong-Chao; Zhang, Bo-Sheng; Gou, Xue-Ya; Wang, Qiang; Ma, Jun-Wei; Liang, Yong-Min","Three-Component Ruthenium-Catalyzed Direct <i>Meta-</i>Selective C-H Activation of Arenes: A New Approach to the Alkylarylation of Alkenes.","Journal of the American Chemical Society","2019","141","35","13914","13922","10.1021/jacs.9b06608","","x-ray","0.71073","MoKα","","0.2073","0.0861","","","0.187","0.2538","","","","","","1.047","","","","has coordinates,has disorder","221911","2020-10-21","18:00:00",""
"4128877","21.47","0.011","12.655","0.007","7.559","0.004","90","","90","","90","","2053.8","1.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H38 N3 Sc -","- C19 H38 N3 Sc -","- C76 H152 N12 Sc4 -","4","1","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.0967","0.0832","","","0.2017","0.2159","","","","","","1.055","","","","has coordinates","221912","2020-10-21","18:00:00",""
"4128878","9.9815","0.0005","40.493","0.002","15.7504","0.0008","90","","91.391","0.001","90","","6364.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H55 Al4 Sc3 -","- C19 H55 Al4 Sc3 -","- C152 H440 Al32 Sc24 -","8","2","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.061","0.0402","","","0.0906","0.1019","","","","","","1.026","","","","has coordinates,has disorder","221913","2020-10-21","18:00:00",""
"4128879","11.21","0.02","14.35","0.03","14.56","0.03","84.12","0.02","89.11","0.02","88.79","0.05","2329","8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H42 Al Sc -","- C24 H42 Al Sc -","- C96 H168 Al4 Sc4 -","4","2","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.0867","0.0516","","","0.1113","0.1265","","","","","","1.014","","","","has coordinates","221914","2020-10-21","18:00:00",""
"4128880","14.335","0.002","16.914","0.003","54.801","0.008","90","","90","","90","","13287","4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H39 Al2 Sc -","- C18 H39 Al2 Sc -","- C432 H936 Al48 Sc24 -","24","6","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.1479","0.1006","","","0.2019","0.2232","","","","","","1.098","","","","has coordinates","221915","2020-10-21","18:00:00",""
"4128881","7.3336","0.0004","19.8137","0.001","17.4587","0.0008","90","","95.903","0.001","90","","2523.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H45 Al4 Sc -","- C15 H45 Al4 Sc -","- C60 H180 Al16 Sc4 -","4","1","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.0494","0.0389","","","0.1091","0.1181","","","","","","1.03","","","","has coordinates","221916","2020-10-21","18:00:00",""
"4128882","7.43535","0.00011","12.70493","0.00017","15.2334","0.0002","90","","90","","90","","1439.03","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","","Ma, Dengke; Miao, Chun-Bao; Sun, Jianwei","Catalytic Enantioselective House-Meinwald Rearrangement: Efficient Construction of All-Carbon Quaternary Stereocenters.","Journal of the American Chemical Society","2019","141","35","13783","13787","10.1021/jacs.9b07514","","x-ray","1.54184","CuKα","","0.0247","0.0243","","","0.0614","0.0617","","","","","","1.049","","","","has coordinates","221917","2020-10-21","18:00:00",""
"4128883","9.81945","0.0001","10.42071","0.00011","15.41623","0.00015","90","","90","","90","","1577.48","0.03","100.2","0.4","100.2","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 F3 O2 -","- C19 H17 F3 O2 -","- C76 H68 F12 O8 -","4","1","","Ma, Dengke; Miao, Chun-Bao; Sun, Jianwei","Catalytic Enantioselective House-Meinwald Rearrangement: Efficient Construction of All-Carbon Quaternary Stereocenters.","Journal of the American Chemical Society","2019","141","35","13783","13787","10.1021/jacs.9b07514","","x-ray","1.54184","CuKα","","0.022","0.0219","","","0.0572","0.0573","","","","","","1.019","","","","has coordinates","221918","2020-10-21","18:00:00",""
"4128884","43.4917","0.0016","43.4917","0.0016","43.4917","0.0016","90","","90","","90","","82266","5","298","2","298","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C312 H160 N20 O60 Zn21 -","- C312 H160 N20 O60 Zn21 -","- C936 H480 N60 O180 Zn63 -","3","0.0625","","Qiu, Yu-Chen; Yuan, Shuai; Li, Xiao-Xin; Du, Dong-Ying; Wang, Cong; Qin, Jun-Sheng; Drake, Hannah F.; Lan, Ya-Qian; Jiang, Lei; Zhou, Hong-Cai","Face-Sharing Archimedean Solids Stacking for the Construction of Mixed-Ligand Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","35","13841","13848","10.1021/jacs.9b05580","","x-ray","0.71073","MoKα","","0.1647","0.0819","","","0.1807","0.2106","","","","","","1.084","","","","has coordinates","221919","2020-10-21","18:00:00",""
"4128885","27.4034","0.0007","27.4034","0.0007","27.4034","0.0007","90","","90","","90","","20578.5","0.9","110","","110","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C128 H80 N4 O32 Zr6 -","- C128 H80 N4 O32 Zr6 -","- C384 H240 N12 O96 Zr18 -","3","0.0625","","Qiu, Yu-Chen; Yuan, Shuai; Li, Xiao-Xin; Du, Dong-Ying; Wang, Cong; Qin, Jun-Sheng; Drake, Hannah F.; Lan, Ya-Qian; Jiang, Lei; Zhou, Hong-Cai","Face-Sharing Archimedean Solids Stacking for the Construction of Mixed-Ligand Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","35","13841","13848","10.1021/jacs.9b05580","","x-ray","1.54178","CuKα","","0.196","0.1119","","","0.3075","0.3482","","","","","","1.01","","","","has coordinates,has disorder","221920","2020-10-21","18:00:00",""
"4128886","9.9111","0.0002","19.1719","0.0004","24.772","0.0005","90","","90","","90","","4707.04","0.17","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C27 H32 F N S -","- C27 H32 F N S -","- C216 H256 F8 N8 S8 -","8","1","","Roth, Aaron; Denmark, Scott E.","Enantioselective, Lewis Base-Catalyzed, Intermolecular Sulfenoamination of Alkenes.","Journal of the American Chemical Society","2019","141","35","13767","13771","10.1021/jacs.9b07019","","","1.54178","CuKα","","0.0232","0.0232","","","0.062","0.0621","","","","","","1.075","","","","has coordinates,has disorder","221921","2020-10-21","18:00:00",""
"4128887","17.9066","0.00004","17.9066","0.00004","13.218","0.00006","90","","90","","120","","3670.48","0.02","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C30 H102 Ba Cu6 N6 O56 S3 -","- C30 H18 Ba Cu6 N6 O42 S3 -","- C60 H36 Ba2 Cu12 N12 O84 S6 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Tiburcio, Estefania; Viciano-Chumillas, Marta; Kalinke, Lucas H. G.; Ferrando-Soria, Jesús; Armentano, Donatella; Pardo, Emilio","Multivariate Metal-Organic Frameworks for the Simultaneous Capture of Organic and Inorganic Contaminants from Water.","Journal of the American Chemical Society","2019","141","34","13601","13609","10.1021/jacs.9b06250","","","0.6889","Synchrotron","","0.0821","0.0601","","","0.177","0.1897","","","","","","0.944","","","","has coordinates,has disorder","221922","2020-10-21","18:00:00",""
"4128888","17.969","0.004","17.969","0.004","12.949","0.004","90","","90","","120","","3620.9","1.6","296","2","296","2","","","","","","","","9","P 63","P 6c","173","","","","- C42 H70 Ca Cl3 Cu6 Hg N7 O30 S4 -","- C41.9988 H21 Ca Cl1.9998 Cu6 Hg0.9999 N6.9999 O30 S3.9999 -","- C83.9976 H42 Ca2 Cl3.9996 Cu12 Hg1.9998 N13.9998 O60 S7.9998 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Tiburcio, Estefania; Viciano-Chumillas, Marta; Kalinke, Lucas H. G.; Ferrando-Soria, Jesús; Armentano, Donatella; Pardo, Emilio","Multivariate Metal-Organic Frameworks for the Simultaneous Capture of Organic and Inorganic Contaminants from Water.","Journal of the American Chemical Society","2019","141","34","13601","13609","10.1021/jacs.9b06250","","","0.71073","MoKα","","0.112","0.0826","","","0.2409","0.2735","","","","","","1.032","","","","has coordinates","221923","2020-10-21","18:00:00",""
"4128889","17.7932","0.0012","17.7932","0.0012","12.7581","0.0008","90","","90","","120","","3498","0.4","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C30 H100 Ca Cu6 N6 O55 S3 -","- C30 H33 Ca Cu6 N6 O37.5 S3 -","- C60 H66 Ca2 Cu12 N12 O75 S6 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Tiburcio, Estefania; Viciano-Chumillas, Marta; Kalinke, Lucas H. G.; Ferrando-Soria, Jesús; Armentano, Donatella; Pardo, Emilio","Multivariate Metal-Organic Frameworks for the Simultaneous Capture of Organic and Inorganic Contaminants from Water.","Journal of the American Chemical Society","2019","141","34","13601","13609","10.1021/jacs.9b06250","","","0.71073","MoKα","","0.0704","0.0601","","","0.1831","0.1923","","","","","","1.058","","","","has coordinates","221924","2020-10-21","18:00:00",""
"4128890","10.1878","0.0016","7.9625","0.0015","19.59","0.003","90","","99.557","0.007","90","","1567.1","0.5","149","2","149","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N4 O3 -","- C15 H20 N4 O3 -","- C60 H80 N16 O12 -","4","2","","Glachet, Thomas; Marzag, Hamid; Saraiva Rosa, Nathalie; Colell, Johannes F. P.; Zhang, Guannan; Warren, Warren S.; Franck, Xavier; Theis, Thomas; Reboul, Vincent","Iodonitrene in Action: Direct Transformation of Amino Acids into Terminal Diazirines and <sup>15</sup>N<sub>2</sub>-Diazirines and Their Application as Hyperpolarized Markers.","Journal of the American Chemical Society","2019","141","34","13689","13696","10.1021/jacs.9b07035","","","0.71073","MoKα","","0.1439","0.0778","","","0.1634","0.1944","","","","","","1.024","","","","has coordinates","221925","2020-10-21","18:00:00",""
"4128891","22.6783","0.001","19.0664","0.0008","27.5418","0.0011","90","","106.247","0.002","90","","11433.3","0.8","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C125.82 H130.19 B Cl2.45 Fe4 N3 O1.27 P3 S4 -","- C125.816 H130.176 B Cl2.456 Fe4 N3 O1.272 P3 S4 -","- C503.264 H520.704 B4 Cl9.824 Fe16 N12 O5.088 P12 S16 -","4","1","","Ye, Mengshan; Thompson, Niklas B.; Brown, Alexandra C.; Suess, Daniel L. M.","A Synthetic Model of Enzymatic [Fe<sub>4</sub>S<sub>4</sub>]-Alkyl Intermediates.","Journal of the American Chemical Society","2019","141","34","13330","13335","10.1021/jacs.9b06975","","","0.71073","MoKα","","0.094","0.0527","","","0.1277","0.153","","","","","","1.012","","","","has coordinates,has disorder","221926","2020-10-21","18:00:00",""
"4128892","16.597","0.004","30.822","0.008","22.933","0.006","90","","95.023","0.008","90","","11686","5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C130 H141 B Fe4 N3 O2 P3 S4 -","- C130 H141 B Fe4 N3 O2 P3 S4 -","- C520 H564 B4 Fe16 N12 O8 P12 S16 -","4","1","","Ye, Mengshan; Thompson, Niklas B.; Brown, Alexandra C.; Suess, Daniel L. M.","A Synthetic Model of Enzymatic [Fe<sub>4</sub>S<sub>4</sub>]-Alkyl Intermediates.","Journal of the American Chemical Society","2019","141","34","13330","13335","10.1021/jacs.9b06975","","","0.71073","MoKα","","0.0915","0.0493","","","0.1079","0.1268","","","","","","1.04","","","","has coordinates,has disorder","221927","2020-10-21","18:00:00",""
"4128893","44.713","0.003","44.713","0.003","47.217","0.005","90","","90","","120","","81752","12","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C80 H183 Mo2 N5 O60 Te W16 -","- C23.175 Mo1.9998 N2.475 O60 Te W16.0002 -","- C556.2 Mo47.9952 N59.4 O1440 Te24 W384.005 -","24","1.33333","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.143","0.0772","","","0.2088","0.2747","","","","","","1.075","","","","has coordinates","221928","2020-10-21","18:00:00",""
"4128894","20.577","0.002","21.446","0.002","25.391","0.003","90","","90","","90","","11205","2","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C22 H119 Mo3 N11 Na O96 Se2 W21 -","- C8.7 Mo3 N4.5 Na0.4 O85.7 Se2 W21 -","- C34.8 Mo12 N18 Na1.6 O342.8 Se8 W84 -","4","0.5","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0966","0.0754","","","0.1888","0.2179","","","","","","1.258","","","","has coordinates,has disorder","221929","2020-10-21","18:00:00",""
"4128895","35.244","0.002","21.9528","0.0013","15.0516","0.0008","90","","90","","90","","11645.5","1.1","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C20 H113 Mo3 N10 Na2 O96 P2 W21 -","- C3.9 Mo3 N2.9 Na1.4 O96.5 P2.14 W20.79 -","- C15.6 Mo12 N11.6 Na5.6 O386 P8.56 W83.16 -","4","0.5","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.1443","0.1167","","","0.2465","0.2791","","","","","","1.193","","","","has coordinates,has disorder","221930","2020-10-21","18:00:00",""
"4128896","35.22","0.003","22.1684","0.0019","15.0386","0.0011","90","","90","","90","","11741.7","1.7","150","2","150","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C22 H120 Mo3 N11 Na O96 P Te W21 -","- C14.4 H Mo3 N9.2 Na O95.2 P Te W21 -","- C57.6 H4 Mo12 N36.8 Na4 O380.8 P4 Te4 W84 -","4","0.5","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.12","0.1084","","","0.2465","0.2562","","","","","","1.203","","","","has coordinates,has disorder","221931","2020-10-21","18:00:00",""
"4128897","21.1678","0.0009","21.1678","0.0009","15.6954","0.0014","90","","90","","120","","6090.5","0.7","150","2","150","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C14 H79 Mo2 N7 O70 Te W16 -","- C7.2 Mo1.9998 N3.6 O62.4 Te W16.0002 -","- C21.6 Mo5.9994 N10.8 O187.2 Te3 W48.0006 -","3","0.0833333","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0525","0.0399","","","0.1108","0.1234","","","","","","1.237","","","","has coordinates","221932","2020-10-21","18:00:00",""
"4128898","21.169","0.0009","21.169","0.0013","15.8379","0.0012","90","","90","","120","0.015","6146.5","1.1","150","2","150","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C14 H79 Mo2 N7 O70 Se W16 -","- C9.6 Mo1.9998 N4.8 O66.6 Se W16.0002 -","- C28.8 Mo5.9994 N14.4 O199.8 Se3 W48.0006 -","3","0.0833333","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0563","0.039","","","0.0895","0.101","","","","","","1.121","","","","has coordinates,has disorder","221933","2020-10-21","18:00:00",""
"4128899","22.557","0.0018","22.557","0.0018","22.557","0.0018","90","","90","","90","","11477.4","1.6","150","2","150","2","","","","","","","","9","P a -3","-P 2ac 2ab 3","205","","","","- C20 H112 Mo2 N10 Na O96 P Se W22 -","- C4.8 Mo1.98 N2.4 O83 P Se W22.02 -","- C19.2 Mo7.92 N9.6 O332 P4 Se4 W88.08 -","4","0.166667","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.1004","0.0794","","","0.2043","0.2389","","","","","","1.214","","","","has coordinates,has disorder","221934","2020-10-21","18:00:00",""
"4128900","21.5987","0.001","21.5987","0.001","13.9195","0.0015","90","","90","","120","","5623.5","0.7","150","2","150","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C14 H90 Mo2 N7 O75 P W16 -","- C8.4 H Mo1.9998 N4.2 O62.76 P W16.0002 -","- C25.2 H3 Mo5.9994 N12.6 O188.28 P3 W48.0006 -","3","0.0833333","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.072","0.0487","","","0.1238","0.1368","","","","","","1.118","","","","has coordinates","221936","2020-10-21","18:00:00",""
"4128901","21.7592","0.0018","26.906","0.002","25.728","0.002","90","","90","","90","","15063","2","150","2","150","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C32 H161 Mo4 N16 O117 P3 W26 -","- C12 Mo4 N7.2 O109.8 P3 W26 -","- C48 Mo16 N28.8 O439.2 P12 W104 -","4","0.25","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0766","0.0514","","","0.1393","0.1804","","","","","","1.184","","","","has coordinates,has disorder","221937","2020-10-21","18:00:00",""
"4128902","17.7735","0.0013","20.1721","0.0014","22.3319","0.0016","99.133","0.004","102.654","0.004","96.166","0.004","7628.6","1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H291 Mo4 N30 Na O251 Se7 W62 -","- C27.4 Mo3.999 N14.1 Na O251 Se7 W62.001 -","- C27.4 Mo3.999 N14.1 Na O251 Se7 W62.001 -","1","0.5","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0903","0.0569","","","0.1465","0.1755","","","","","","1.095","","","","has coordinates,has disorder","221938","2020-10-21","18:00:00",""
"4128903","9.9636","0.001","12.7003","0.0013","13.9821","0.0015","80.831","0.004","69.746","0.004","70.594","0.003","1563.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H40 B F4 Fe O4 P -","- C33 H40 B F4 Fe O4 P -","- C66 H80 B2 F8 Fe2 O8 P2 -","2","1","","Geeson, Michael B.; Transue, Wesley J.; Cummins, Christopher C.","Organoiron- and Fluoride-Catalyzed Phosphinidene Transfer to Styrenic Olefins in a Stereoselective Synthesis of Unprotected Phosphiranes.","Journal of the American Chemical Society","2019","141","34","13336","13340","10.1021/jacs.9b07069","","","0.71073","MoKα","","0.176","0.1411","","","0.3506","0.3753","","","","","","1.026","","","","has coordinates,has disorder","221939","2020-10-21","18:00:00",""
"4128904","13.826","0.0009","16.6549","0.0009","17.2897","0.0011","90","","90","","90","","3981.3","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H22 B F4 Fe O2 P -","- C19 H22 B F4 Fe O2 P -","- C152 H176 B8 F32 Fe8 O16 P8 -","8","1","","Geeson, Michael B.; Transue, Wesley J.; Cummins, Christopher C.","Organoiron- and Fluoride-Catalyzed Phosphinidene Transfer to Styrenic Olefins in a Stereoselective Synthesis of Unprotected Phosphiranes.","Journal of the American Chemical Society","2019","141","34","13336","13340","10.1021/jacs.9b07069","","","0.71073","MoKα","","0.0511","0.0378","","","0.0966","0.1033","","","","","","1.066","","","","has coordinates","221940","2020-10-21","18:00:00",""
"4128905","8.605","0.004","19.697","0.007","30.793","0.012","90","","90","","90","","5219","4","100","","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C216 H252 N12 O72 -","12","3","","Zheng, Jian; Swords, Wesley B.; Jung, Hoimin; Skubi, Kazimer L.; Kidd, Jesse B.; Meyer, Gerald J.; Baik, Mu-Hyun; Yoon, Tehshik P.","Enantioselective Intermolecular Excited-State Photoreactions Using a Chiral Ir Triplet Sensitizer: Separating Association from Energy Transfer in Asymmetric Photocatalysis.","Journal of the American Chemical Society","2019","141","34","13625","13634","10.1021/jacs.9b06244","","x-ray","0.71073","MoKα","","0.0588","0.0467","","","0.1095","0.1161","","","","","","1.024","","","","has coordinates,has disorder","221941","2020-10-21","18:00:00",""
"4128906","9.094","0.003","7.248","0.002","11.749","0.003","90","","96.62","0.02","90","","769.3","0.4","100","","100.02","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H15 I N2 O4 -","- C16 H15 I N2 O4 -","- C32 H30 I2 N4 O8 -","2","1","","Zheng, Jian; Swords, Wesley B.; Jung, Hoimin; Skubi, Kazimer L.; Kidd, Jesse B.; Meyer, Gerald J.; Baik, Mu-Hyun; Yoon, Tehshik P.","Enantioselective Intermolecular Excited-State Photoreactions Using a Chiral Ir Triplet Sensitizer: Separating Association from Energy Transfer in Asymmetric Photocatalysis.","Journal of the American Chemical Society","2019","141","34","13625","13634","10.1021/jacs.9b06244","","x-ray","0.71073","MoKα","K-L~3~","0.0207","0.0196","","","0.0472","0.0474","","","","","","1.074","","","","has coordinates","221942","2020-10-21","18:00:00",""
"4128907","30.977","0.009","20.52","0.006","22.213","0.006","90","","90","","90","","14120","7","100","2","100.21","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C32 H16 N8 O16 Zr3 -","- C32 H16 N8 O16 Zr3 -","- C128 H64 N32 O64 Zr12 -","4","0.5","","Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai","Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","34","13654","13663","10.1021/jacs.9b06711","","","1.54184","CuKα","","0.295","0.2062","","","0.5","0.5454","","","","","","1.947","","","","has coordinates","221943","2020-10-21","18:00:00",""
"4128908","31.4535","0.0018","19.638","0.0012","21.9912","0.0013","90","","90","","90","","13583.6","1.4","100","2","100.04","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C64 Cl22 N16 Ni14 O47 Zr6 -","- C64 Cl22 N16 Ni14 O47 Zr6 -","- C128 Cl44 N32 Ni28 O94 Zr12 -","2","0.25","","Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai","Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","34","13654","13663","10.1021/jacs.9b06711","","","1.54184","CuKα","","0.1758","0.1463","","","0.4141","0.4454","","","","","","1.925","","","","has coordinates","221944","2020-10-21","18:00:00",""
"4128909","31.698","0.007","18.59","0.004","22.055","0.004","90","","90","","90","","12996","5","101","2","100.76","","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C32 H16 Br5 N8 Ni3 O26 Zr3 -","- C32 H16 Br5 N8 Ni3 O26 Zr3 -","- C128 H64 Br20 N32 Ni12 O104 Zr12 -","4","0.5","","Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai","Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","34","13654","13663","10.1021/jacs.9b06711","","","1.54184","CuKα","","0.2384","0.1587","","","0.3818","0.4241","","","","","","1.328","","","","has coordinates","221945","2020-10-21","18:00:00",""
"4128910","31.368","0.003","19.703","0.0016","22.4548","0.0019","90","","90","","90","","13878","2","100","2","99.99","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C32 H16 N8 O16 Zr3 -","- C32 H16 N8 O16 Zr3 -","- C128 H64 N32 O64 Zr12 -","4","0.5","","Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai","Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","34","13654","13663","10.1021/jacs.9b06711","","","1.54184","CuKα","","0.1313","0.1077","","","0.2728","0.2952","","","","","","1.065","","","","has coordinates","221946","2020-10-21","18:00:00",""
"4128911","13.5456","0.0005","35.6442","0.0011","15.5089","0.0005","90","","107.09","0.002","90","","7157.4","0.4","170","2","169.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C87 H88 O11 -","- C87 H88 O11 -","- C348 H352 O44 -","4","1","","Li, Qi; Zhu, Huangtianzhi; Huang, Feihe","Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals.","Journal of the American Chemical Society","2019","141","34","13290","13294","10.1021/jacs.9b05054","","","1.34139","GaKα","","0.1215","0.0972","","","0.2371","0.2564","","","","","","0.91","","","","has coordinates","221947","2020-10-21","18:00:00",""
"4128912","13.7735","0.0002","34.9942","0.0006","15.597","0.0002","90","","107.447","0.001","90","","7171.79","0.19","170","2","169.96","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C85 H80 O10 -","- C85 H80 O10 -","- C340 H320 O40 -","4","1","","Li, Qi; Zhu, Huangtianzhi; Huang, Feihe","Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals.","Journal of the American Chemical Society","2019","141","34","13290","13294","10.1021/jacs.9b05054","","","1.34139","GaKα","","0.0909","0.0746","","","0.2012","0.217","","","","","","1.052","","","","has coordinates","221948","2020-10-21","18:00:00",""
"4128913","13.9839","0.0003","35.7918","0.0007","15.4191","0.0003","90","","108.881","0.001","90","","7302.1","0.3","170","2","169.98","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C87 H86 O10 -","- C87 H86 O10 -","- C348 H344 O40 -","4","1","","Li, Qi; Zhu, Huangtianzhi; Huang, Feihe","Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals.","Journal of the American Chemical Society","2019","141","34","13290","13294","10.1021/jacs.9b05054","","","1.34139","GaKα","","0.1533","0.0984","","","0.2711","0.3177","","","","","","1.051","","","","has coordinates","221949","2020-10-21","18:00:00",""
"4128914","12.7437","0.0004","31.7874","0.0007","32.5089","0.001","90","","90","","90","","13169","0.6","170.15","","170.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C81 H62 O10 -","- C81 H62 O10 -","- C648 H496 O80 -","8","1","","Li, Qi; Zhu, Huangtianzhi; Huang, Feihe","Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals.","Journal of the American Chemical Society","2019","141","34","13290","13294","10.1021/jacs.9b05054","","","0.71073","MoKα","","0.1251","0.0957","","","0.2515","0.2745","","","","","","1.143","","","","has coordinates,has disorder","221950","2020-10-21","18:00:00",""
"4128915","9.5103","0.0006","34.984","0.002","21.4829","0.0014","90","","101.519","0.0017","90","","7003.6","0.8","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H76 O5 S Si3 -","- C40 H76 O5 S Si3 -","- C240 H456 O30 S6 Si18 -","6","3","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.1204","0.0926","","","0.2484","0.2724","","","","","","1.036","","","","has coordinates,has disorder","221951","2020-10-21","18:00:00",""
"4128916","7.048","0.0003","10.4797","0.0005","18.4167","0.001","90","","97.094","0.002","90","","1349.86","0.11","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O4 S -","- C14 H16 O4 S -","- C56 H64 O16 S4 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.0346","0.0322","","","0.0835","0.0852","","","","","","1.072","","","","has coordinates","221952","2020-10-21","18:00:00",""
"4128917","5.843","0.0004","10.9977","0.0008","17.5865","0.0012","90","","90","","90","","1130.1","0.14","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O S -","- C12 H18 O S -","- C48 H72 O4 S4 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.0251","0.0225","","","0.0569","0.058","","","","","","1.066","","","","has coordinates","221953","2020-10-21","18:00:00",""
"4128918","7.6475","0.0004","8.1332","0.0004","13.0597","0.0006","105.357","0.001","102.201","0.002","97.465","0.001","750.56","0.06","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C32 H30 N2 O8 S2 -","2","1","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.0368","0.0323","","","0.0821","0.0846","","","","","","1.041","","","","has coordinates,has disorder","221954","2020-10-21","18:00:00",""
"4128919","8.6617","0.0004","9.6496","0.0004","22.5991","0.0009","90","","90","","90","","1888.88","0.14","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.0334","0.0308","","","0.079","0.0809","","","","","","1.034","","","","has coordinates","221955","2020-10-21","18:00:00",""
"4128920","6.1911","0.0005","7.129","0.0004","12.2554","0.0008","90","","104.026","0.007","90","","524.78","0.06","150","2","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 O3 -","- C5 H6 O3 -","- C20 H24 O12 -","4","1","","McGuire, Thomas M.; Pérale, Cécile; Castaing, Rémi; Kociok-Köhn, Gabriele; Buchard, Antoine","Divergent Catalytic Strategies for the <i>Cis</i>/<i>Trans</i> Stereoselective Ring-Opening Polymerization of a Dual Cyclic Carbonate/Olefin Monomer.","Journal of the American Chemical Society","2019","141","34","13301","13305","10.1021/jacs.9b06259","","x-ray","1.54184","CuKα","","0.0373","0.0341","","","0.0937","0.0967","","","","","","1.067","","","","has coordinates","221956","2020-10-21","18:00:00",""
"4128921","8.169","0.002","23.029","0.006","12.208","0.003","90","","91.379","0.004","90","","2296","1","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 Fe O6 -","- C26 H32 Fe O6 -","- C104 H128 Fe4 O24 -","4","2","","Burns, Alexander S.; Rychnovsky, Scott D.","Total Synthesis and Structure Revision of (-)-Illisimonin A, a Neuroprotective Sesquiterpenoid from the Fruits of <i>Illicium simonsii</i>.","Journal of the American Chemical Society","2019","141","34","13295","13300","10.1021/jacs.9b05065","","","0.71073","MoKα","","0.0623","0.0528","","","0.1258","0.1305","","","","","","1.043","","","","has coordinates","221957","2020-10-21","18:00:00",""
"4128922","52.0499","0.0012","21.5528","0.0005","26.1891","0.0006","90","","90","","90","","29379.5","1.2","100","2","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- Co4 K3.5 Li1.5 Na O126.5 P5 W30 -","- Co4 K3.5 Li1.5 Na O126.5 P5 W30 -","- Co32 K28 Li12 Na8 O1012 P40 W240 -","8","0.5","","Turo, Michael J.; Chen, Linfeng; Moore, Curtis E.; Schimpf, Alina M.","Co<sup>2+</sup>-Linked [NaP<sub>5</sub>W<sub>30</sub>O<sub>110</sub>]<sup>14-</sup>: A Redox-Active Metal Oxide Framework with High Electron Density.","Journal of the American Chemical Society","2019","141","11","4553","4557","10.1021/jacs.9b00866","","x-ray","0.71073","MoKα","","0.0994","0.0721","","","0.1794","0.2021","","","","","","1.116","","","","has coordinates,has disorder","221958","2020-10-21","18:00:00",""
"4128923","52.037","0.0013","21.5548","0.0005","26.1839","0.0007","90","","90","","90","","29369.1","1.3","100","","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- Co4 K3.5 Li1.5 Na O126.5 P5 W30 -","- Co4 K3.5 Li1.5 Na O126.5 P5 W30 -","- Co32 K28 Li12 Na8 O1012 P40 W240 -","8","0.5","","Turo, Michael J.; Chen, Linfeng; Moore, Curtis E.; Schimpf, Alina M.","Co<sup>2+</sup>-Linked [NaP<sub>5</sub>W<sub>30</sub>O<sub>110</sub>]<sup>14-</sup>: A Redox-Active Metal Oxide Framework with High Electron Density.","Journal of the American Chemical Society","2019","141","11","4553","4557","10.1021/jacs.9b00866","","x-ray","0.71073","MoKα","","0.082","0.066","","","0.1533","0.1653","","","","","","1.222","","","","has coordinates,has disorder","221959","2020-10-21","18:00:00",""
"4128924","8.5334","0.0017","16.264","0.003","14.678","0.003","90","","100.31","0.03","90","","2004.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","cyclo[1]N2,N6-bis(6-(1H-imidazol-1-yl)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine[1](1,4-dimethylenebenzene)_ 2 PF6-_ 0.25 H2O","","","- C35 H35 F12 N11 O0.25 P2 -","- C35 H35 F12 N11 O0.25 P2 -","- C70 H70 F24 N22 O0.5 P4 -","2","0.5","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","0.71073","MoKα","","0.094","0.0783","","","0.139","0.1478","","","","","","1.04","","","","has coordinates","221960","2020-10-21","18:00:00",""
"4128925","8.8999","0.0018","11.193","0.002","20.76","0.004","99.53","0.03","90.06","0.03","105.42","0.03","1963.9","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H37 F12 N9 O2 P2 -","- C35 H37 F11.96 N9 O2 P2 -","- C70 H74 F23.92 N18 O4 P4 -","2","1","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","0.71073","MoKα","","0.1021","0.0625","","","0.1578","0.1856","","","","","","1.015","","","","has coordinates,has disorder","221961","2020-10-21","18:00:00",""
"4128926","11.481","0.002","22.243","0.004","29.998","0.006","90","","90","","90","","7661","2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclo[1]N2,N6-bis(6-(1H-imidazol-1-yl)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine[1](1,4-dimethylenebenzene)_ 2 HCO3-_dioxane_2 H2O","","","- C37 H43 N9 O10 -","- C37 H39 N9 O10 -","- C296 H312 N72 O80 -","8","1","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","0.71073","MoKα","","0.1396","0.0962","","","0.187","0.2088","","","","","","1.017","","","","has coordinates","221962","2020-10-21","18:00:00",""
"4128927","12.547","0.003","18.324","0.004","18.364","0.004","114.49","0.03","103.77","0.03","91.72","0.03","3692.1","1.9","223","2","223","2","","","","","","","","5","P -1","-P 1","2","cyclo[1]N2,N6-bis(6-(1H-imidazol-1-yl)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine[1](1,4-dimethylenebenzene)_ 2 H2PO4-_ 7.5 H2O","","","- C31 H48 N9 O15.5 P2 -","- C31 H33 N9 O8 P2 -","- C124 H132 N36 O32 P8 -","4","2","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","0.71073","MoKα","","0.1797","0.0921","","","0.2029","0.2397","","","","","","1.001","","","","has coordinates","221963","2020-10-21","18:00:00",""
"4128928","8.2235","0.0007","13.8316","0.0017","16.8675","0.0017","99.887","0.009","90.596","0.007","102.897","0.009","1840","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H35.5 N10.5 O8 S2 -","- C34 H31 N10.5 O8 S2 -","- C68 H62 N21 O16 S4 -","2","1","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","1.54184","CuKα","","0.0907","0.0627","","","0.1707","0.1976","","","","","","0.951","","","","has coordinates,has disorder","221964","2020-10-21","18:00:00",""
"4128929","18.1882","0.0013","20.6048","0.0012","9.6072","0.0005","90","","104.356","0.006","90","","3488","0.4","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 N9 O11 P2 -","- C31 H39 N9 O11 P2 -","- C124 H156 N36 O44 P8 -","4","1","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","1.54184","CuKα","","0.0726","0.0506","","","0.109","0.1221","","","","","","1.001","","","","has coordinates","221965","2020-10-21","18:00:00",""
"4128930","15.082","0.002","17.405","0.002","17.968","0.002","66.38","0.002","80.662","0.003","80.269","0.003","4235.9","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","3 in manuscript","","","- C68 H87 Au2 F6 N5 O5 S3 -","- C68 H87 Au2 F6 N5 O5 S3 -","- C136 H174 Au4 F12 N10 O10 S6 -","2","1","","Mulks, Florian F.; Antoni, Patrick W.; Gross, Jürgen H; Graf, Jürgen; Rominger, Frank; Hashmi, A Stephen K","1,1-Digoldallylium Complexes: Diaurated Allylic Carbocations Indicate New Prospects of the Coordination Chemistry of Carbon.","Journal of the American Chemical Society","2019","141","11","4687","4695","10.1021/jacs.8b13395","","","0.71073","MoKα","","0.0958","0.0484","","","0.1004","0.1224","","","","","","1.03","","","","has coordinates,has disorder","221966","2020-10-21","18:00:00",""
"4128931","8.07","0.0006","8.4605","0.0006","12.8684","0.001","90","","93.611","0.002","90","","876.86","0.11","100","2","100.01","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Co -","- C20 H31 Co -","- C40 H62 Co2 -","2","0.5","","Chalkley, Matthew J.; Oyala, Paul H.; Peters, Jonas C.","Cp* Noninnocence Leads to a Remarkably Weak C-H Bond via Metallocene Protonation.","Journal of the American Chemical Society","2019","141","11","4721","4729","10.1021/jacs.9b00193","","","0.71073","MoKα","","0.08","0.0382","","","0.0732","0.0832","","","","","","1.016","","","","has coordinates,has disorder","221967","2020-10-21","18:00:00",""
"4128932","12.8973","0.0005","9.6767","0.0004","15.1146","0.0006","90","","92.956","0.002","90","","1883.84","0.13","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 Co -","- C21 H33 Co -","- C84 H132 Co4 -","4","1","","Chalkley, Matthew J.; Oyala, Paul H.; Peters, Jonas C.","Cp* Noninnocence Leads to a Remarkably Weak C-H Bond via Metallocene Protonation.","Journal of the American Chemical Society","2019","141","11","4721","4729","10.1021/jacs.9b00193","","","0.71073","MoKα","","0.0716","0.0471","","","0.0945","0.1037","","","","","","1.045","","","","has coordinates","221967","2020-10-21","18:00:00",""
"4128933","25.919","0.0011","9.9765","0.0004","26.3509","0.0011","90","","112.699","0.002","90","","6286.1","0.5","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H42 N2 O2 Si -","- C33 H42 N2 O2 Si -","- C264 H336 N16 O16 Si8 -","8","4","","Han, Ye-Qiang; Ding, Yi; Zhou, Tao; Yan, Sheng-Yi; Song, Hong; Shi, Bing-Feng","Pd(II)-Catalyzed Enantioselective Alkynylation of Unbiased Methylene C(sp<sup>3</sup>)-H Bonds Using 3,3'-Fluorinated-BINOL as a Chiral Ligand.","Journal of the American Chemical Society","2019","141","11","4558","4563","10.1021/jacs.9b01124","","","1.54178","CuKα","","0.1056","0.1016","","","0.293","0.3039","","","","","","1.381","","","","has coordinates,has disorder","221968","2020-10-21","18:00:00",""
"4128934","16.1706","0.0009","19.1783","0.0007","22.1386","0.001","89.034","0.003","72.865","0.004","80.624","0.004","6469.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H170 N21 O27 Zn4 -","- C114 H144 N18 O24 Zn4 -","- C228 H288 N36 O48 Zn8 -","2","1","","Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L.","Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly.","Journal of the American Chemical Society","2019","141","11","4749","4755","10.1021/jacs.9b01042","","","1.54184","CuKα","","0.0994","0.0604","","","0.1446","0.1723","","","","","","0.993","","","","has coordinates,has disorder","221969","2020-10-21","18:00:00",""
"4128935","21.5925","0.0008","12.2482","0.0004","41.9139","0.0015","90","","96.438","0.003","90","","11015","0.7","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C103 H127 N14 O19 Zn4 -","- C103 H127 N14 O19 Zn4 -","- C412 H508 N56 O76 Zn16 -","4","1","","Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L.","Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly.","Journal of the American Chemical Society","2019","141","11","4749","4755","10.1021/jacs.9b01042","","","1.54184","CuKα","","0.136","0.1053","","","0.2494","0.2686","","","","","","1.145","","","","has coordinates,has disorder","221970","2020-10-21","18:00:00",""
"4128936","16.7237","0.0006","21.2669","0.0007","39.8228","0.0013","90","","92.307","0.004","90","","14151.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C246 H328 Co2 N38 O52 Zn8 -","- C246 H328 Co2 N38 O52 Zn8 -","- C492 H656 Co4 N76 O104 Zn16 -","2","0.5","","Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L.","Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly.","Journal of the American Chemical Society","2019","141","11","4749","4755","10.1021/jacs.9b01042","","","1.54184","CuKα","","0.0987","0.0679","","","0.1533","0.1685","","","","","","1.032","","","","has coordinates,has disorder","221971","2020-10-21","18:00:00",""
"4128937","15.7704","0.0015","19.0494","0.0019","22.544","0.002","67.594","0.01","84.711","0.008","76.268","0.009","6082.3","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C240 H334 N34 O44 Zn8 -","- C234 H316 N32 O42 Zn8 -","- C234 H316 N32 O42 Zn8 -","1","0.5","","Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L.","Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly.","Journal of the American Chemical Society","2019","141","11","4749","4755","10.1021/jacs.9b01042","","","1.54184","CuKα","","0.1587","0.0907","","","0.2045","0.2484","","","","","","1.009","","","","has coordinates,has disorder","221972","2020-10-21","18:00:00",""
"4128938","21.2912","0.0005","19.4228","0.0004","11.7888","0.0003","90","","97.29","0.002","90","","4835.7","0.2","108","6","108","6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Br4 N4 O4 Pb -","- C16 H22 Br4 N4 O4 Pb -","- C128 H176 Br32 N32 O32 Pb8 -","8","2","","Tremblay, Marie-Hélène; Thouin, Félix; Leisen, Johannes; Bacsa, John; Srimath Kandada, Ajay Ram; Hoffman, Justin M.; Kanatzidis, Mercouri G.; Mohite, Aditya D.; Silva, Carlos; Barlow, Stephen; Marder, Seth R.","(4NPEA)<sub>2</sub>PbI<sub>4</sub> (4NPEA = 4-Nitrophenylethylammonium): Structural, NMR, and Optical Properties of a 3 ×3 Corrugated 2D Hybrid Perovskite.","Journal of the American Chemical Society","2019","141","11","4521","4525","10.1021/jacs.8b13207","","x-ray","0.71073","MoKα","","0.0652","0.042","","","0.0989","0.1068","","","","","","1.03","","","","has coordinates","221973","2020-10-21","18:00:00",""
"4128939","21.0976","0.0004","19.8255","0.0003","12.6149","0.0002","90","","98.2252","0.0017","90","","5222.16","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 I4 N4 O4 Pb -","- C16 H22 I4 N4 O4 Pb -","- C128 H176 I32 N32 O32 Pb8 -","8","2","","Tremblay, Marie-Hélène; Thouin, Félix; Leisen, Johannes; Bacsa, John; Srimath Kandada, Ajay Ram; Hoffman, Justin M.; Kanatzidis, Mercouri G.; Mohite, Aditya D.; Silva, Carlos; Barlow, Stephen; Marder, Seth R.","(4NPEA)<sub>2</sub>PbI<sub>4</sub> (4NPEA = 4-Nitrophenylethylammonium): Structural, NMR, and Optical Properties of a 3 ×3 Corrugated 2D Hybrid Perovskite.","Journal of the American Chemical Society","2019","141","11","4521","4525","10.1021/jacs.8b13207","","x-ray","0.71073","MoKα","","0.0704","0.0521","","","0.1129","0.1208","","","","","","1.025","","","","has coordinates,has disorder","221974","2020-10-21","18:00:00",""
"4128940","10.848","0.0004","4.7553","0.0002","11.5172","0.0005","90","","111.111","0.004","90","","554.25","0.04","99.99","0.16","99.99","0.16","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl N O2 -","- C11 H14 Cl N O2 -","- C22 H28 Cl2 N2 O4 -","2","1","","Gao, Tao-Tao; Zhang, Wen-Wen; Sun, Xin; Lu, Hou-Xiang; Li, Bi-Jie","Stereodivergent Synthesis through Catalytic Asymmetric Reversed Hydroboration.","Journal of the American Chemical Society","2019","141","11","4670","4677","10.1021/jacs.8b13520","","x-ray","1.54184","CuKα","","0.0362","0.0336","","","0.082","0.0841","","","","","","1.061","","","","has coordinates","221975","2020-10-21","18:00:00",""
"4128941","17.3148","0.0008","17.3148","0.0008","37.394","0.002","90","","90","","120","","9708.8","0.8","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H19 Br2 N O2 -","- C24 H19 Br2 N O2 -","- C432 H342 Br36 N18 O36 -","18","0.5","","Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh","Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly.","Journal of the American Chemical Society","2019","141","11","4536","4540","10.1021/jacs.8b13754","","","0.71073","MoKα","","0.1329","0.0685","","","0.1767","0.2334","","","","","","1.024","","","","has coordinates","221976","2020-10-21","18:00:00",""
"4128942","7.8747","0.0007","11.6377","0.001","11.6249","0.001","90","","107.095","0.003","90","","1018.28","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Br2 -","- C12 H8 Br2 -","- C48 H32 Br8 -","4","1","","Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh","Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly.","Journal of the American Chemical Society","2019","141","11","4536","4540","10.1021/jacs.8b13754","","","0.71073","MoKα","","0.0525","0.0332","","","0.0727","0.0811","","","","","","1.039","","","","has coordinates","221976","2020-10-21","18:00:00",""
"4128943","8.5392","0.0011","8.8043","0.0011","15.5739","0.0019","74.124","0.003","89.573","0.004","65.84","0.004","1020.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Br N O2 -","- C24 H22 Br N O2 -","- C48 H44 Br2 N2 O4 -","2","1","","Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh","Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly.","Journal of the American Chemical Society","2019","141","11","4536","4540","10.1021/jacs.8b13754","","","0.71073","MoKα","","0.0748","0.047","","","0.107","0.1183","","","","","","1.065","","","","has coordinates,has disorder","221976","2020-10-21","18:00:00",""
"4128944","9.102","0.002","6.967","0.002","10.962","0.003","90","","91.026","0.008","90","","695","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 Br2 N O2 -","- C15 H11 Br2 N O2 -","- C30 H22 Br4 N2 O4 -","2","1","","Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh","Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly.","Journal of the American Chemical Society","2019","141","11","4536","4540","10.1021/jacs.8b13754","","","0.71073","MoKα","","0.1451","0.0574","","","0.1381","0.1891","","","","","","0.953","","","","has coordinates","221976","2020-10-21","18:00:00",""
"4128945","11.7853","0.0001","14.6123","0.0002","22.8572","0.0003","98.446","0.001","92.842","0.001","91.763","0.001","3885.88","0.08","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C87 H62 Cl7 Ir N2 O5 P2 -","- C87 H62 Cl7 Ir N2 O5 P2 -","- C174 H124 Cl14 Ir2 N4 O10 P4 -","2","1","","Isomura, Mayuko; Petrone, David A.; Carreira, Erick M.","Coordination-Induced Stereocontrol over Carbocations: Asymmetric Reductive Deoxygenation of Racemic Tertiary Alcohols.","Journal of the American Chemical Society","2019","141","11","4738","4748","10.1021/jacs.9b00862","","x-ray","1.54184","CuKα","","0.0601","0.0532","","","0.1531","0.1586","","","","","","1.045","","","","has coordinates,has disorder","221977","2020-10-21","18:00:00",""
"4128946","9.9297","0.0002","13.7671","0.0003","14.1998","0.0004","64.113","0.002","87.206","0.002","89.732","0.002","1744","0.08","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C18 H15 Cl N2 O6 -","- C18 H15 Cl N2 O6 -","- C72 H60 Cl4 N8 O24 -","4","4","","Isomura, Mayuko; Petrone, David A.; Carreira, Erick M.","Coordination-Induced Stereocontrol over Carbocations: Asymmetric Reductive Deoxygenation of Racemic Tertiary Alcohols.","Journal of the American Chemical Society","2019","141","11","4738","4748","10.1021/jacs.9b00862","","x-ray","1.54184","CuKα","","0.039","0.0369","","","0.099","0.1008","","","","","","1.046","","","","has coordinates","221978","2020-10-21","18:00:00",""
"4128947","8.03546","0.00005","17.81899","0.00011","11.97478","0.00007","90","","96.1556","0.0006","90","","1704.71","0.018","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C68 H108 N4 O16 -","4","1","","Isomura, Mayuko; Petrone, David A.; Carreira, Erick M.","Coordination-Induced Stereocontrol over Carbocations: Asymmetric Reductive Deoxygenation of Racemic Tertiary Alcohols.","Journal of the American Chemical Society","2019","141","11","4738","4748","10.1021/jacs.9b00862","","x-ray","1.54184","CuKα","","0.0403","0.0385","","","0.1022","0.1035","","","","","","1.028","","","","has coordinates","221979","2020-10-21","18:00:00",""
"4128948","12.4658","0.0007","16.2947","0.0009","21.744","0.0012","90","","97.257","0.003","90","","4381.4","0.4","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H50 F24 N16 O4 P4 Ru2 -","- C66 H50 F24 N16 O4 P4 Ru2 -","- C132 H100 F48 N32 O8 P8 Ru4 -","2","1","","Fairbanks, Simon D.; Robertson, Craig C.; Keene, F. Richard; Thomas, Jim A.; Williamson, Mike P.","Structural Investigation into the Threading Intercalation of a Chiral Dinuclear Ruthenium(II) Polypyridyl Complex through a B-DNA Oligonucleotide.","Journal of the American Chemical Society","2019","141","11","4644","4652","10.1021/jacs.8b12280","","","0.71073","MoKα","","0.1063","0.071","","","0.1717","0.19","","","","","","1.044","","","","has coordinates,has disorder","275683","2022-05-30","09:11:54",""
"4128949","12.5327","0.0014","16.3645","0.0019","21.809","0.003","90","","97.129","0.005","90","","4438.3","0.9","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H44 F24 N14 P4 Ru2 -","- C64 H44 F24 N14 P4 Ru2 -","- C128 H88 F48 N28 P8 Ru4 -","2","1","","Fairbanks, Simon D.; Robertson, Craig C.; Keene, F. Richard; Thomas, Jim A.; Williamson, Mike P.","Structural Investigation into the Threading Intercalation of a Chiral Dinuclear Ruthenium(II) Polypyridyl Complex through a B-DNA Oligonucleotide.","Journal of the American Chemical Society","2019","141","11","4644","4652","10.1021/jacs.8b12280","","","0.71073","MoKα","","0.1158","0.0758","","","0.1894","0.2114","","","","","","0.984","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4128950","8.3032","0.0016","11.378","0.002","18.25","0.004","95.542","0.007","92.729","0.007","95.095","0.007","1706.6","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 Cl4 N14 Ru2 -","- C64 H44 Cl4 N14 Ru2 -","- C64 H44 Cl4 N14 Ru2 -","1","0.5","","Fairbanks, Simon D.; Robertson, Craig C.; Keene, F. Richard; Thomas, Jim A.; Williamson, Mike P.","Structural Investigation into the Threading Intercalation of a Chiral Dinuclear Ruthenium(II) Polypyridyl Complex through a B-DNA Oligonucleotide.","Journal of the American Chemical Society","2019","141","11","4644","4652","10.1021/jacs.8b12280","","","0.71073","MoKα","","0.0707","0.0492","","","0.1183","0.1296","","","","","","1.022","","","","has coordinates,has disorder","221982","2020-10-21","18:00:00",""
"4128951","8.4354","0.0005","9.8508","0.0005","14.8019","0.0008","90","","99.955","0.002","90","","1211.45","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 I O3 -","- C12 H15 I O3 -","- C48 H60 I4 O12 -","4","1","","Yang, Ming; Yin, Fangjie; Fujino, Haruka; Snyder, Scott A.","The Total Synthesis of Chalcitrin.","Journal of the American Chemical Society","2019","141","11","4515","4520","10.1021/jacs.8b12612","","x-ray","0.71073","MoKα","","0.032","0.0227","","","0.0459","0.0482","","","","","","1.054","","","","has coordinates","221983","2020-10-21","18:00:00",""
"4128952","10.8432","0.0007","9.263","0.0006","11.9112","0.0008","90","","108.277","0.002","90","","1136.01","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br I O3 -","- C11 H8 Br I O3 -","- C44 H32 Br4 I4 O12 -","4","1","","Yang, Ming; Yin, Fangjie; Fujino, Haruka; Snyder, Scott A.","The Total Synthesis of Chalcitrin.","Journal of the American Chemical Society","2019","141","11","4515","4520","10.1021/jacs.8b12612","","x-ray","0.71073","MoKα","","0.0506","0.0357","","","0.0627","0.0666","","","","","","1.037","","","","has coordinates","221984","2020-10-21","18:00:00",""
"4128953","12.0937","0.0004","11.9771","0.0004","8.4124","0.0003","90","","91.644","0.001","90","","1218.01","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br I O4 -","- C12 H8 Br I O4 -","- C48 H32 Br4 I4 O16 -","4","1","","Yang, Ming; Yin, Fangjie; Fujino, Haruka; Snyder, Scott A.","The Total Synthesis of Chalcitrin.","Journal of the American Chemical Society","2019","141","11","4515","4520","10.1021/jacs.8b12612","","","0.71073","MoKα","","0.0262","0.0208","","","0.0466","0.048","","","","","","1.091","","","","has coordinates","221985","2020-10-21","18:00:00",""
"4128954","12.8763","0.0001","15.3531","0.0002","24.2529","0.0004","90","","90","","90","","4794.58","0.11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43.5 H44.75 F18 Fe N8.25 O0.75 P2 -","- C43.5 H44.75 F18 Fe N8.25 O0.75 P2 -","- C174 H179 F72 Fe4 N33 O3 P8 -","4","1","","Hong, Yubiao; Jarrige, Lucie; Harms, Klaus; Meggers, Eric","Chiral-at-Iron Catalyst: Expanding the Chemical Space for Asymmetric Earth-Abundant Metal Catalysis.","Journal of the American Chemical Society","2019","141","11","4569","4572","10.1021/jacs.9b01352","","","1.54186","CuKα","","0.0455","0.0381","","","0.0888","0.0913","","","","","","0.96","","","","has coordinates,has disorder","221986","2020-10-21","18:00:00",""
"4128955","19.1455","0.0009","17.5082","0.0008","24.5014","0.001","90","","102.237","0.0018","90","","8026.4","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C108 H110 O4 -","- C108 H110 O4 -","- C432 H440 O16 -","4","0.5","","Ikai, Tomoyuki; Yoshida, Takumu; Shinohara, Ken-Ichi; Taniguchi, Tsuyoshi; Wada, Yuya; Swager, Timothy M.","Triptycene-Based Ladder Polymers with One-Handed Helical Geometry.","Journal of the American Chemical Society","2019","141","11","4696","4703","10.1021/jacs.8b13865","","","0.71073","MoKα","","0.0951","0.0726","","","0.1981","0.2162","","","","","","1.076","","","","has coordinates,has disorder","221987","2020-10-21","18:00:00",""
"4128956","10.9283","0.0003","13.7142","0.0004","17.0369","0.0004","86.6245","0.0008","85.0011","0.0008","67.4709","0.0007","2348.64","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.5 H26 Cl N5 O2 -","- C26.5 H26 Cl N5 O2 -","- C106 H104 Cl4 N20 O8 -","4","2","","Gallagher, Nolan; Zhang, Hui; Junghoefer, Tobias; Giangrisostomi, Erika; Ovsyannikov, Ruslan; Pink, Maren; Rajca, Suchada; Casu, Maria Benedetta; Rajca, Andrzej","Thermally and Magnetically Robust Triplet Ground State Diradical.","Journal of the American Chemical Society","2019","141","11","4764","4774","10.1021/jacs.9b00558","","","0.41328","","","0.0789","0.0555","","","0.1493","0.1705","","","","","","1.06","","","","has coordinates","221988","2020-10-21","18:00:00",""
"4128957","14.5632","0.0007","12.3263","0.0006","23.3463","0.0011","90","","90","","90","","4190.9","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H29 Cl2 N3 Ni S2 -","- C17 H29 Cl2 N3 Ni S2 -","- C136 H232 Cl16 N24 Ni8 S16 -","8","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","","1.54178","CuKα","","0.0631","0.0595","","","0.1521","0.1548","","","","","","1.082","","","","has coordinates","221989","2020-10-21","18:00:00",""
"4128958","12.698","0.003","15.104","0.003","10.542","0.002","90","","100.076","0.01","90","","1990.7","0.7","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 F3 N3 Ni S2 -","- C17 H24 F3 N3 Ni S2 -","- C68 H96 F12 N12 Ni4 S8 -","4","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","x-ray","1.54178","CuKα","","0.0549","0.0515","","","0.1459","0.1521","","","","","","1.091","","","","has coordinates,has disorder","221990","2020-10-21","18:00:00",""
"4128959","19.8354","0.0007","9.975","0.0004","13.3013","0.0005","90","","100.622","0.002","90","","2586.67","0.17","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B F4 Fe N3 Ni O3 S2 -","- C22 H32 B F4 Fe N3 Ni O3 S2 -","- C88 H128 B4 F16 Fe4 N12 Ni4 O12 S8 -","4","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","x-ray","1.54178","CuKα","","0.0664","0.0607","","","0.1529","0.158","","","","","","1.038","","","","has coordinates,has disorder","221991","2020-10-21","18:00:00",""
"4128960","8.0122","0.0004","31.7923","0.0014","11.9134","0.0006","90","","107.146","0.003","90","","2899.8","0.2","100","","100","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 B Cl2 F7 Fe N2 Ni O S2 -","- C22 H28 B Cl2 F7 Fe N2 Ni O S2 -","- C88 H112 B4 Cl8 F28 Fe4 N8 Ni4 O4 S8 -","4","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","x-ray","1.54178","CuKα","","0.111","0.0835","","","0.1652","0.1789","","","","","","1.087","","","","has coordinates,has disorder","221992","2020-10-21","18:00:00",""
"4128961","11.3768","0.0004","22.6888","0.0006","24.5582","0.0007","90","","90","","90","","6339.1","0.3","100","","100","","","","","","","","","10","P c c n","-P 2ab 2ac","56","","","","- C21.5 H29 B Cl4 F4 Fe N2 Ni O S2 -","- C21.5 H29 B Cl4 F4 Fe N2 Ni O S2 -","- C172 H232 B8 Cl32 F32 Fe8 N16 Ni8 O8 S16 -","8","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","x-ray","1.54178","CuKα","","0.1039","0.0953","","","0.2362","0.2442","","","","","","1.127","","","","has coordinates,has disorder","221993","2020-10-21","18:00:00",""
"4128962","11.3708","0.0006","4.6026","0.0002","20.5978","0.001","90","","94.029","0.002","90","","1075.33","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 Br2 O2 -","- C24 H24 Br2 O2 -","- C48 H48 Br4 O4 -","2","1","","Parsutkar, Mahesh M.; Pagar, Vinayak Vishnu; RajanBabu, T. V.","Catalytic Enantioselective Synthesis of Cyclobutenes from Alkynes and Alkenyl Derivatives.","Journal of the American Chemical Society","2019","141","38","15367","15377","10.1021/jacs.9b07885","","x-ray","0.71073","MoKα","","0.03","0.0243","","","0.0517","0.0531","","","","","","1.052","","","","has coordinates,has disorder","221994","2020-10-21","18:00:00",""
"4128963","11.0641","0.0006","22.4546","0.001","11.081","0.0006","90","","99.705","0.002","90","","2713.6","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H34 Br2 Co N O P -","- C27 H34 Br2 Co N O P -","- C108 H136 Br8 Co4 N4 O4 P4 -","4","2","","Parsutkar, Mahesh M.; Pagar, Vinayak Vishnu; RajanBabu, T. V.","Catalytic Enantioselective Synthesis of Cyclobutenes from Alkynes and Alkenyl Derivatives.","Journal of the American Chemical Society","2019","141","38","15367","15377","10.1021/jacs.9b07885","","x-ray","0.71073","MoKα","","0.0204","0.0189","","","0.0506","0.051","","","","","","1.118","","","","has coordinates","221995","2020-10-21","18:00:00",""
"4128964","11.7237","0.001","13.3153","0.0013","13.7472","0.0013","90","","90","","90","","2146","0.3","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 F6 N4 O2 P Ru -","- C19 H15 F6 N4 O2 P Ru -","- C76 H60 F24 N16 O8 P4 Ru4 -","4","1","","Jung, Hoimin; Schrader, Malte; Kim, Dongwook; Baik, Mu-Hyun; Park, Yoonsu; Chang, Sukbok","Harnessing Secondary Coordination Sphere Interactions That Enable the Selective Amidation of Benzylic C-H Bonds.","Journal of the American Chemical Society","2019","141","38","15356","15366","10.1021/jacs.9b07795","","","0.71073","MoKα","","0.06","0.0381","","","0.0781","0.0851","","","","","","1.051","","","","has coordinates,has disorder","221996","2020-10-21","18:00:00",""
"4128965","12.1081","0.0003","14.8255","0.0003","21.7369","0.0005","104.402","0.001","94.961","0.001","111.996","0.001","3433.43","0.14","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C69 H90 Ag2 F6 O14 -","- C69 H90 Ag2 F6 O14 -","- C138 H180 Ag4 F12 O28 -","2","1","","Hua, Bin; Shao, Li; Zhang, Zhihua; Liu, Jiyong; Huang, Feihe","Cooperative Silver Ion-Pair Recognition by Peralkylated Pillar[5]arenes.","Journal of the American Chemical Society","2019","141","38","15008","15012","10.1021/jacs.9b08257","","","0.71073","MoKα","","0.0786","0.0687","","","0.179","0.1888","","","","","","1.045","","","","has coordinates,has disorder","221997","2020-10-21","18:00:00",""
"4128966","16.5674","0.0006","20.0237","0.0009","17.998","0.0006","90","","92.654","0.003","90","","5964.3","0.4","164.7","","164.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H70 Ag2 F6 O14 -","- C59 H70 Ag2 F6 O14 -","- C236 H280 Ag8 F24 O56 -","4","1","","Hua, Bin; Shao, Li; Zhang, Zhihua; Liu, Jiyong; Huang, Feihe","Cooperative Silver Ion-Pair Recognition by Peralkylated Pillar[5]arenes.","Journal of the American Chemical Society","2019","141","38","15008","15012","10.1021/jacs.9b08257","","","0.71073","MoKα","","0.0671","0.0537","","","0.1344","0.1464","","","","","","1.039","","","","has coordinates,has disorder","221998","2020-10-21","18:00:00",""
"4128967","19.573","0.003","8.226","0.0011","19.595","0.003","90","","117.913","0.002","90","","2787.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 F12 Fe N6 Sb2 -","- C18 H30 F12 Fe N6 Sb2 -","- C72 H120 F48 Fe4 N24 Sb8 -","4","1","","Dantignana, Valeria; Serrano-Plana, Joan; Draksharapu, Apparao; Magallón, Carla; Banerjee, Saikat; Fan, Ruixi; Gamba, Ilaria; Guo, Yisong; Que, Jr, Lawrence; Costas, Miquel; Company, Anna","Spectroscopic and Reactivity Comparisons between Nonheme Oxoiron(IV) and Oxoiron(V) Species Bearing the Same Ancillary Ligand.","Journal of the American Chemical Society","2019","141","38","15078","15091","10.1021/jacs.9b05758","","","0.71073","MoKα","","0.028","0.0268","","","0.0711","0.072","","","","","","1.043","","","","has coordinates","221999","2020-10-21","18:00:00",""
"4128968","13.6143","0.0007","18.8932","0.0009","18.3407","0.0009","90","","109.406","0.001","90","","4449.5","0.4","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl17 Co N5 -","- C28 H30 Cl17 Co N5 -","- C112 H120 Cl68 Co4 N20 -","4","1","","Ghosh, Chandrani; Kim, Suyeon; Mena, Matthew R.; Kim, Jun-Hyeong; Pal, Raja; Rock, Christopher L.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.","Efficient Cobalt Catalyst for Ambient-Temperature Nitrile Dihydroboration, the Elucidation of a Chelate-Assisted Borylation Mechanism, and a New Synthetic Route to Amides.","Journal of the American Chemical Society","2019","141","38","15327","15337","10.1021/jacs.9b07529","","","0.71073","MoKα","","0.0915","0.0744","","","0.1977","0.2135","","","","","","1.07","","","","has coordinates,has disorder","222000","2020-10-21","18:00:00",""
"4128969","8.6432","0.001","11.3302","0.0013","11.4891","0.0014","105.192","0.002","92.884","0.002","107.735","0.002","1023.8","0.2","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 Co N5 -","- C23 H26 Co N5 -","- C46 H52 Co2 N10 -","2","1","","Ghosh, Chandrani; Kim, Suyeon; Mena, Matthew R.; Kim, Jun-Hyeong; Pal, Raja; Rock, Christopher L.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.","Efficient Cobalt Catalyst for Ambient-Temperature Nitrile Dihydroboration, the Elucidation of a Chelate-Assisted Borylation Mechanism, and a New Synthetic Route to Amides.","Journal of the American Chemical Society","2019","141","38","15327","15337","10.1021/jacs.9b07529","","","0.71073","MoKα","","0.052","0.0412","","","0.0925","0.0974","","","","","","1.036","","","","has coordinates","222001","2020-10-21","18:00:00",""
"4128970","8.2188","0.0002","11.2255","0.0003","16.4158","0.0004","84.354","0.001","76.854","0.001","69.023","0.001","1376.85","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H40 Co F4 N P2 -","- C27 H40 Co F4 N P2 -","- C54 H80 Co2 F8 N2 P4 -","2","1","","Pabst, Tyler P.; Obligacion, Jennifer V.; Rochette, Étienne; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Borylation of Fluorinated Arenes: Thermodynamic Control of C(sp<sup>2</sup>)-H Oxidative Addition Results in <i>ortho</i>-to-Fluorine Selectivity.","Journal of the American Chemical Society","2019","141","38","15378","15389","10.1021/jacs.9b07984","","","0.71073","MoKα","","0.046","0.0345","","","0.0787","0.0834","","","","","","1.045","","","","has coordinates,has disorder","222002","2020-10-21","18:00:00",""
"4128971","18.7044","0.001","13.913","0.0008","23.4016","0.0013","90","","98.928","0.002","90","","6016.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 Co F4 N P2 -","- C27 H40 Co F4 N P2 -","- C216 H320 Co8 F32 N8 P16 -","8","2","","Pabst, Tyler P.; Obligacion, Jennifer V.; Rochette, Étienne; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Borylation of Fluorinated Arenes: Thermodynamic Control of C(sp<sup>2</sup>)-H Oxidative Addition Results in <i>ortho</i>-to-Fluorine Selectivity.","Journal of the American Chemical Society","2019","141","38","15378","15389","10.1021/jacs.9b07984","","","1.54178","CuKα","","0.1411","0.1151","","","0.2737","0.2957","","","","","","1.091","","","","has coordinates,has disorder","222002","2020-10-21","18:00:00",""
"4128972","11.5009","0.0016","13.9207","0.0019","15.136","0.002","75.533","0.007","75.25","0.007","69.812","0.007","2164.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","audra_5213","audra_5213","","- C96 H108 B2 Mn2 N10 O4 S2 -","- C96 H108 B2 Mn2 N10 O4 S2 -","- C96 H108 B2 Mn2 N10 O4 S2 -","1","0.5","","Yan Poon, Penny Chaau; Dedushko, Maksym A.; Sun, Xianru; Yang, Guang; Toledo, Santiago; Hayes, Ellen C.; Johansen, Audra; Piquette, Marc C.; Rees, Julian A.; Stoll, Stefan; Rybak-Akimova, Elena; Kovacs, Julie A.","How Metal Ion Lewis Acidity and Steric Properties Influence the Barrier to Dioxygen Binding, Peroxo O-O Bond Cleavage, and Reactivity.","Journal of the American Chemical Society","2019","141","38","15046","15057","10.1021/jacs.9b04729","","","0.71073","MoKα","","0.1178","0.0514","","","0.0996","0.1242","","","","","","1.009","","","","has coordinates,has disorder","222003","2020-10-21","18:00:00",""
"4128973","10.1676","0.0007","22.3787","0.0018","12.3719","0.001","90","","96.825","0.004","90","","2795.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","audra112113","audra112113","","- C46 H64 F12 Mn2 N10 O5 P2 S2 -","- C46 H64 F12 Mn2 N10 O5 P2 S2 -","- C92 H128 F24 Mn4 N20 O10 P4 S4 -","2","0.5","","Yan Poon, Penny Chaau; Dedushko, Maksym A.; Sun, Xianru; Yang, Guang; Toledo, Santiago; Hayes, Ellen C.; Johansen, Audra; Piquette, Marc C.; Rees, Julian A.; Stoll, Stefan; Rybak-Akimova, Elena; Kovacs, Julie A.","How Metal Ion Lewis Acidity and Steric Properties Influence the Barrier to Dioxygen Binding, Peroxo O-O Bond Cleavage, and Reactivity.","Journal of the American Chemical Society","2019","141","38","15046","15057","10.1021/jacs.9b04729","","","0.71073","MoKα","","0.0655","0.0371","","","0.0746","0.0839","","","","","","1.004","","","","has coordinates,has disorder","222004","2020-10-21","18:00:00",""
"4128974","14.031","0.0003","14.031","0.0003","14.0046","0.0009","90","","90","","120","","2387.69","0.17","296","2","296","2","200000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0638","0.0496","","","0.0895","0.0907","","","","","","0.784","","","","has coordinates","222005","2020-10-21","18:00:00",""
"4128975","13.766","0.0003","13.766","0.0003","13.2315","0.0009","90","","90","","120","","2171.48","0.16","296","2","296","2","3600000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0416","0.0416","","","0.1192","0.1192","","","","","","1.083","","","","has coordinates","222005","2020-10-21","18:00:00",""
"4128976","13.4668","0.0003","13.4668","0.0003","12.6496","0.0009","90","","90","","120","","1986.72","0.15","296","2","296","2","8700000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0426","0.0426","","","0.1118","0.1118","","","","","","1.053","","","","has coordinates","222005","2020-10-21","18:00:00",""
"4128977","13.3353","0.0004","13.3353","0.0004","12.4394","0.001","90","","90","","120","","1915.74","0.17","296","2","296","2","11500000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0385","0.0384","","","0.1018","0.1018","","","","","","1.049","","","","has coordinates","222005","2020-10-21","18:00:00",""
"4128978","13.2862","0.0004","13.2862","0.0004","12.3717","0.0009","90","","90","","120","","1891.31","0.16","296","2","296","2","12500000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0363","0.0362","","","0.0936","0.0936","","","","","","1.046","","","","has coordinates","222005","2020-10-21","18:00:00",""
"4128979","12.9856","0.0003","12.9856","0.0003","12.4479","0.001","90","","90","","120","","1817.82","0.16","296","2","296","2","14400000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu1.99933 I2 Se6 -","- Cu17.994 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.033","0.032","","","0.089","0.0895","","","","","","1.131","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128980","12.8911","0.0003","12.8911","0.0003","12.33","0.0009","90","","90","","120","","1774.49","0.14","296","2","296","2","16700000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0373","0.0373","","","0.0954","0.0954","","","","","","1.018","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128981","12.8125","0.0004","12.8125","0.0004","12.2065","0.001","90","","90","","120","","1735.36","0.16","296","2","296","2","19200000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu1.99933 I2 Se6 -","- Cu17.994 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0464","0.0464","","","0.1134","0.1134","","","","","","1.119","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128982","13.0793","0.0004","13.0793","0.0004","11.1844","0.0011","90","","90","","120","","1656.96","0.18","296","2","296","2","22000000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2.00067 I2 Se6 -","- Cu18.006 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0585","0.0585","","","0.1437","0.1437","","","","","","1.298","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128983","13.0111","0.0004","13.0111","0.0004","11.0956","0.0011","90","","90","","120","","1626.71","0.18","296","2","296","2","24200000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2.00067 I2 Se6 -","- Cu18.006 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.061","0.061","","","0.1498","0.1498","","","","","","1.229","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128984","12.939","0.0006","12.939","0.0006","10.9066","0.0017","90","","90","","120","","1581.3","0.3","296","2","296","2","27800000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2.00067 I2 Se6 -","- Cu18.006 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0603","0.0603","","","0.1454","0.1454","","","","","","1.174","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128985","12.8949","0.0006","12.8949","0.0006","10.7489","0.0015","90","","90","","120","","1547.9","0.2","296","2","296","2","31600000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0546","0.0546","","","0.1453","0.1453","","","","","","1.248","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128986","12.7831","0.0007","12.7831","0.0007","10.596","0.002","90","","90","","120","","1499.5","0.3","296","2","296","2","35800000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2.00067 I2 Se6 -","- Cu18.006 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0651","0.0651","","","0.1739","0.1739","","","","","","1.275","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128987","8.9454","0.0009","11.7746","0.0013","20.35","0.003","90","","90","","90","","2143.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br2 N2 Ni O2 -","- C21 H22 Br2 N2 Ni O2 -","- C84 H88 Br8 N8 Ni4 O8 -","4","1","","Yin, Haolin; Fu, Gregory C.","Mechanistic Investigation of Enantioconvergent Kumada Reactions of Racemic α-Bromoketones Catalyzed by a Nickel/Bis(oxazoline) Complex.","Journal of the American Chemical Society","2019","141","38","15433","15440","10.1021/jacs.9b08185","","","0.71073","MoKα","","0.0214","0.0184","","","0.0419","0.0425","","","","","","1.043","","","","has coordinates","222006","2020-10-21","18:00:00",""
"4128988","9.457","0.002","13.597","0.003","15.622","0.004","90","","90","","90","","2008.8","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","((R,R)-Ph-BOX)NiBr","","","- C21 H22 Br N2 Ni O2 -","- C21 H22 Br N2 Ni O2 -","- C84 H88 Br4 N8 Ni4 O8 -","4","1","","Yin, Haolin; Fu, Gregory C.","Mechanistic Investigation of Enantioconvergent Kumada Reactions of Racemic α-Bromoketones Catalyzed by a Nickel/Bis(oxazoline) Complex.","Journal of the American Chemical Society","2019","141","38","15433","15440","10.1021/jacs.9b08185","","","0.71073","MoKα","","0.0612","0.0335","","","0.0511","0.0566","","","","","","0.988","","","","has coordinates,has disorder","222006","2020-10-21","18:00:00",""
"4128989","9.754","0.0005","17.1117","0.0016","26.83","0.003","90","","90","","90","","4478.1","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H51 Br N2 Ni O3 -","- C55 H51 Br N2 Ni O3 -","- C220 H204 Br4 N8 Ni4 O12 -","4","1","","Yin, Haolin; Fu, Gregory C.","Mechanistic Investigation of Enantioconvergent Kumada Reactions of Racemic α-Bromoketones Catalyzed by a Nickel/Bis(oxazoline) Complex.","Journal of the American Chemical Society","2019","141","38","15433","15440","10.1021/jacs.9b08185","","","1.54184","CuKα","","0.0501","0.0452","","","0.1112","0.1144","","","","","","1.029","","","","has coordinates","222006","2020-10-21","18:00:00",""
"4128990","13.2918","0.0015","16.122","0.003","17.053","0.003","90","","93.901","0.005","90","","3645.8","1","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","SiP3FeCCH","","- C38 H55 Fe P3 Si -","- C38 H55 Fe P3 Si -","- C152 H220 Fe4 P12 Si4 -","4","1","","Citek, Cooper; Oyala, Paul H.; Peters, Jonas C.","Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes.","Journal of the American Chemical Society","2019","141","38","15211","15221","10.1021/jacs.9b06987","","","0.71073","MoKα","","0.0524","0.034","","","0.0783","0.0853","","","","","","1.045","","","","has coordinates","222007","2020-10-21","18:00:00",""
"4128991","12.847","0.004","38.23","0.011","14.423","0.004","90","","92.285","0.012","90","","7078","4","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H68 B F24 Fe P3 Si -","- C70 H68 B F24 Fe P3 Si -","- C280 H272 B4 F96 Fe4 P12 Si4 -","4","1","","Citek, Cooper; Oyala, Paul H.; Peters, Jonas C.","Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes.","Journal of the American Chemical Society","2019","141","38","15211","15221","10.1021/jacs.9b06987","","","0.71073","MoKα","","0.0868","0.0742","","","0.16","0.1649","","","","","","1.246","","","","has coordinates,has disorder","222007","2020-10-21","18:00:00",""
"4128992","13.2971","0.0008","16.145","0.0009","17.0059","0.001","90","","92.999","0.003","90","","3645.9","0.4","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","SiP3FeCCH3","","- C37.83 H56.75 Cl0.08 Fe P3 Si -","- C37.832 H56.748 Cl0.084 Fe P3 Si -","- C151.328 H226.992 Cl0.336 Fe4 P12 Si4 -","4","1","","Citek, Cooper; Oyala, Paul H.; Peters, Jonas C.","Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes.","Journal of the American Chemical Society","2019","141","38","15211","15221","10.1021/jacs.9b06987","","","0.71073","MoKα","","0.0382","0.0288","","","0.0757","0.0819","","","","","","1.037","","","","has coordinates,has disorder","222007","2020-10-21","18:00:00",""
"4128993","13.173","0.005","15.284","0.006","20.312","0.007","90","","90","","90","","4090","3","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","SiP3FeCCH3OTf","","- C39 H57 F3 Fe O3 P3 S Si -","- C39 H57 F3 Fe O3 P3 S Si -","- C156 H228 F12 Fe4 O12 P12 S4 Si4 -","4","1","","Citek, Cooper; Oyala, Paul H.; Peters, Jonas C.","Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes.","Journal of the American Chemical Society","2019","141","38","15211","15221","10.1021/jacs.9b06987","","","0.71073","MoKα","","0.0733","0.0457","","","0.0881","0.0987","","","","","","1.025","","","","has coordinates,has disorder","222007","2020-10-21","18:00:00",""
"4128994","11.6451","0.0003","21.3404","0.0005","14.8565","0.0004","90","","95.918","0.002","90","","3672.33","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 N14 O6 -","- C39 H38 N14 O6 -","- C156 H152 N56 O24 -","4","1","","de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R.","Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO<sub>3</sub>)<sub>6/5</sub>]<sup>3-/2-</sup> (Ln = Nd, Er) with a Triazine-Based Ligand.","Journal of the American Chemical Society","2019","141","38","15102","15110","10.1021/jacs.9b05566","","","0.71073","MoKα","","0.1266","0.0669","","","0.144","0.1735","","","","","","0.992","","","","has coordinates","222008","2020-10-21","18:00:00",""
"4128995","41.1586","0.0006","11.1026","0.0002","14.8734","0.0002","90","","98.864","0.001","90","","6715.49","0.18","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C39 H36 N12 -","- C39 H36 N12 -","- C312 H288 N96 -","8","1","","de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R.","Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO<sub>3</sub>)<sub>6/5</sub>]<sup>3-/2-</sup> (Ln = Nd, Er) with a Triazine-Based Ligand.","Journal of the American Chemical Society","2019","141","38","15102","15110","10.1021/jacs.9b05566","","","0.71073","MoKα","","0.0609","0.055","","","0.138","0.1451","","","","","","1.052","","","","has coordinates","222009","2020-10-21","18:00:00",""
"4128996","12.163","0.0003","12.2694","0.0003","17.6357","0.0005","94.394","0.001","92.077","0.001","95.134","0.001","2611.1","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H42 N20 Nd O18 -","- C43 H42 N20 Nd O18 -","- C86 H84 N40 Nd2 O36 -","2","1","","de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R.","Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO<sub>3</sub>)<sub>6/5</sub>]<sup>3-/2-</sup> (Ln = Nd, Er) with a Triazine-Based Ligand.","Journal of the American Chemical Society","2019","141","38","15102","15110","10.1021/jacs.9b05566","","","0.71073","MoKα","","0.0583","0.0419","","","0.1052","0.1223","","","","","","1.111","","","","has coordinates","222010","2020-10-21","18:00:00",""
"4128997","14.3372","0.0004","17.1271","0.0004","25.2207","0.0007","89.822","0.002","74.953","0.002","83.091","0.002","5934.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H88 Er3 N43 O47 -","- C86 H84 Er3 N43 O47 -","- C172 H168 Er6 N86 O94 -","2","1","","de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R.","Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO<sub>3</sub>)<sub>6/5</sub>]<sup>3-/2-</sup> (Ln = Nd, Er) with a Triazine-Based Ligand.","Journal of the American Chemical Society","2019","141","38","15102","15110","10.1021/jacs.9b05566","","","0.71073","MoKα","","0.0802","0.0693","","","0.1553","0.1607","","","","","","1.198","","","","has coordinates,has disorder","222011","2020-10-21","18:00:00",""
"4128998","10.77","0.006","10.98","0.006","28.973","0.017","90","","90","","90","","3426","3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H53 Li2 N6 O P -","- C30 H53 Li2 N6 O P -","- C120 H212 Li8 N24 O4 P4 -","4","1","","Gladfelder, Joshua J.; Ghosh, Santanu; Podunavac, Maša; Cook, Andrew W.; Ma, Yun; Woltornist, Ryan A.; Keresztes, Ivan; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen","Enantioselective Alkylation of 2-Alkylpyridines Controlled by Organolithium Aggregation.","Journal of the American Chemical Society","2019","141","38","15024","15028","10.1021/jacs.9b08659","","","0.71073","MoKα","","0.2208","0.0886","","","0.1411","0.1725","","","","","","1.095","","","","has coordinates","222012","2020-10-21","18:00:00",""
"4128999","14.958","0.006","15.579","0.007","30.593","0.01","90","","90","","90","","7129","5","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H57 Li2 N6 O2 P -","- C32 H57 Li2 N6 O2 P -","- C256 H456 Li16 N48 O16 P8 -","8","2","","Gladfelder, Joshua J.; Ghosh, Santanu; Podunavac, Maša; Cook, Andrew W.; Ma, Yun; Woltornist, Ryan A.; Keresztes, Ivan; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen","Enantioselective Alkylation of 2-Alkylpyridines Controlled by Organolithium Aggregation.","Journal of the American Chemical Society","2019","141","38","15024","15028","10.1021/jacs.9b08659","","","0.71073","MoKα","","0.1483","0.0863","","","0.1422","0.1561","","","","","","1.452","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4129000","12.4631","0.0002","22.4492","0.0004","30.1","0.0006","90","","91.654","0.001","90","","8418.1","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C106 H111 Cl3 O8 -","- C106 H111 Cl3 O8 -","- C424 H444 Cl12 O32 -","4","1","","Nishigaki, Shuhei; Shibata, Yu; Nakajima, Atsuya; Okajima, Hajime; Masumoto, Yui; Osawa, Taisei; Muranaka, Atsuya; Sugiyama, Haruki; Horikawa, Ayano; Uekusa, Hidehiro; Koshino, Hiroyuki; Uchiyama, Masanobu; Sakamoto, Akira; Tanaka, Ken","Synthesis of Belt- and Möbius-Shaped Cycloparaphenylenes by Rhodium-Catalyzed Alkyne Cyclotrimerization.","Journal of the American Chemical Society","2019","141","38","14955","14960","10.1021/jacs.9b06197","","x-ray","1.54186","CuKα","","0.07","0.0586","","","0.1587","0.1703","","","","","","1.066","","","","has coordinates,has disorder","222014","2020-10-21","18:00:00",""
"4129001","6.2514","0.0019","7.289","0.002","29.77","0.009","90","","90","","90","","1356.5","0.7","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N3 -","- C16 H19 N3 -","- C64 H76 N12 -","4","1","","Halabi, Jad Mahmoud; Ahmed, Ejaz; Catalano, Luca; Karothu, Durga Prasad; Rezgui, Rachid; Naumov, Panče","Spatial Photocontrol of the Optical Output from an Organic Crystal Waveguide.","Journal of the American Chemical Society","2019","141","38","14966","14970","10.1021/jacs.9b07645","","x-ray","0.71073","MoKα","","0.059","0.0497","","","0.1013","0.1041","","","","","","1.062","","","","has coordinates","222015","2020-10-21","18:00:00",""
"4129002","9.2363","0.0016","8.7977","0.0009","45.59","0.01","90","","106.45","0.02","90","","3552.9","1.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H33 N3 S2 -","- C47 H33 N3 S2 -","- C188 H132 N12 S8 -","4","1","","Niu, Guangle; Zheng, Xiuli; Zhao, Zheng; Zhang, Haoke; Wang, Jianguo; He, Xuewen; Chen, Yuncong; Shi, Xiujuan; Ma, Chao; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Wong, Kam Sing; Wang, Pengfei; Tang, Ben Zhong","Functionalized Acrylonitriles with Aggregation-Induced Emission: Structure Tuning by Simple Reaction-Condition Variation, Efficient Red Emission, and Two-Photon Bioimaging.","Journal of the American Chemical Society","2019","141","38","15111","15120","10.1021/jacs.9b06196","","x-ray","1.54184","CuKα","","0.0821","0.0625","","","0.1336","0.143","","","","","","1.003","","","","has coordinates","222016","2020-10-21","18:00:00",""
"4129003","17.4002","0.0004","20.7307","0.0005","23.4789","0.0006","90","","90","","90","","8469.3","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C47 H64 Co N3 -","- C47 H64 Co N3 -","- C376 H512 Co8 N24 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0878","0.0633","","","0.1493","0.1613","","","","","","1.082","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129004","10.9033","0.0009","12.0359","0.0011","25.14","0.002","90","","90","","90","","3299.1","0.5","100","","100","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H49 N O -","- C37 H49 N O -","- C148 H196 N4 O4 -","4","0.5","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0572","0.0443","","","0.1142","0.1223","","","","","","1.04","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129005","23.0483","0.0013","14.029","0.0009","27.3737","0.0018","90","","90","","90","","8851.1","1","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C47 H64 Co I2 N -","- C47 H64 Co I2 N -","- C376 H512 Co8 I16 N8 -","8","2","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0567","0.0405","","","0.0818","0.0897","","","","","","1.034","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129006","17.8319","0.0019","13.874","0.002","19.914","0.003","90","","105.928","0.006","90","","4737.6","1.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H74 Co N -","- C52.9196 H73.8928 Co N -","- C211.678 H295.571 Co4 N4 -","4","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.1559","0.1454","","","0.3041","0.3088","","","","","","1.365","","","","has coordinates,has disorder","222017","2020-10-21","18:00:00",""
"4129007","13.5984","0.0011","17.629","0.0012","23.0085","0.0018","90","","90.367","0.005","90","","5515.6","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H79 Co N P -","- C65 H79 Co N P -","- C260 H316 Co4 N4 P4 -","4","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.1271","0.058","","","0.1076","0.1287","","","","","","1","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129008","17.3101","0.0007","20.4836","0.0008","23.4544","0.0011","90","","90","","90","","8316.3","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H65 Co N O -","- C47 H65 Co N O -","- C376 H520 Co8 N8 O8 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.1028","0.0593","","","0.1408","0.16","","","","","","1.022","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129009","17.4228","0.0007","20.6348","0.0009","23.3437","0.0011","90","","90","","90","","8392.4","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H64 Co N3 O -","- C47 H64 Co N3 O -","- C376 H512 Co8 N24 O8 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0978","0.0743","","","0.1637","0.1758","","","","","","1.062","","","","has coordinates,has disorder","222017","2020-10-21","18:00:00",""
"4129010","18.4221","0.0006","17.1331","0.0004","36.3469","0.001","90","","90","","90","","11472.1","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H89 Co N2 O2 Si2 -","- C60 H89 Co N2 O2 Si2 -","- C480 H712 Co8 N16 O16 Si16 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","1.54178","CuKα","","0.0879","0.0472","","","0.0906","0.1047","","","","","","1.022","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129011","13.5872","0.0003","13.3149","0.0002","22.6201","0.0004","90","","103.353","0.007","90","","3981.62","0.17","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(dppp)Pt{CNC6H3(CH=C=CH2)COOMe}Me]Cl-CHCl3","","- C41 H39 Cl4 N O2 P2 Pt -","- C41 H39 Cl4 N O2 P2 Pt -","- C164 H156 Cl16 N4 O8 P8 Pt4 -","4","1","","Kanbayashi, Naoya; Okamura, Taka-Aki; Onitsuka, Kiyotaka","Living Cyclocopolymerization through Alternating Insertion of Isocyanide and Allene via Controlling the Reactivity of the Propagation Species: Detailed Mechanistic Investigation.","Journal of the American Chemical Society","2019","141","38","15307","15317","10.1021/jacs.9b07431","","","0.71075","MoKα","","0.0321","0.0256","","","0.0597","0.0617","","","","","","1.07","","","","has coordinates","222018","2020-10-21","18:00:00",""
"4129012","23.3425","0.0006","17.6797","0.0004","24.6828","0.0008","90","","90","","90","","10186.3","0.5","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C112 H138 B2 N10 Si4 -","- C112 H138 B2 N10 Si4 -","- C448 H552 B8 N40 Si16 -","4","0.5","","Sun, Xiaofei; Simler, Thomas; Yadav, Ravi; Köppe, Ralf; Roesky, Peter W.","A Stable Aromatic Tetrasilacyclobutadiene Dication.","Journal of the American Chemical Society","2019","141","38","14987","14990","10.1021/jacs.9b08018","","","0.71073","MoKα","","0.1466","0.0851","","","0.2033","0.2381","","","","","","1.051","","","","has coordinates,has disorder","222019","2020-10-21","18:00:00",""
"4129013","23.0452","0.0002","17.8779","0.0002","25.1244","0.0003","90","","90","","90","","10351.2","0.19","130","","130","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C113.34 H138.02 B2 N10 Si4 -","- C113.34 H138.02 B2 N10 Si4 -","- C453.36 H552.08 B8 N40 Si16 -","4","0.5","","Sun, Xiaofei; Simler, Thomas; Yadav, Ravi; Köppe, Ralf; Roesky, Peter W.","A Stable Aromatic Tetrasilacyclobutadiene Dication.","Journal of the American Chemical Society","2019","141","38","14987","14990","10.1021/jacs.9b08018","","","1.34143","GaKα","","0.0693","0.061","","","0.1648","0.1707","","","","","","1.048","","","","has coordinates,has disorder","222020","2020-10-21","18:00:00",""
"4129014","23.2625","0.0004","17.5096","0.0008","24.5181","0.0006","90","","90","","90","","9986.6","0.5","150.15","","150.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C112 H140 B2 N8 O Si4 -","- C112 H140 B2 N8 O Si4 -","- C448 H560 B8 N32 O4 Si16 -","4","0.5","","Sun, Xiaofei; Simler, Thomas; Yadav, Ravi; Köppe, Ralf; Roesky, Peter W.","A Stable Aromatic Tetrasilacyclobutadiene Dication.","Journal of the American Chemical Society","2019","141","38","14987","14990","10.1021/jacs.9b08018","","","1.34143","GaKα","","0.057","0.0443","","","0.1232","0.1321","","","","","","1.051","","","","has coordinates,has disorder","222021","2020-10-21","18:00:00",""
"4129015","13.1535","0.0007","18.2025","0.0009","17.8085","0.0009","90","","107.602","0.002","90","","4064.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H41 Cu O3 P2 -","- C49 H41 Cu O3 P2 -","- C196 H164 Cu4 O12 P8 -","4","1","","van Vliet, Kaj M.; Polak, Lara H.; Siegler, Maxime A.; van der Vlugt, Jarl Ivar; Guerra, Célia Fonseca; de Bruin, Bas","Efficient Copper-Catalyzed Multicomponent Synthesis of <i>N-</i>Acyl Amidines via Acyl Nitrenes.","Journal of the American Chemical Society","2019","141","38","15240","15249","10.1021/jacs.9b07140","","","0.71073","MoKα","","0.054","0.0389","","","0.0949","0.1087","","","","","","1.065","","","","has coordinates,has disorder","222022","2020-10-21","18:00:00",""
"4129016","17.019","0.003","19.261","0.003","28.579","0.004","93.223","0.005","100.749","0.005","90.782","0.003","9187","3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C189 H162 Au13 Cl3 F12 N18 P2 -","- C189 H162 Au13 Cl3 F12 N18 P2 -","- C378 H324 Au26 Cl6 F24 N36 P4 -","2","1","","Narouz, Mina R.; Takano, Shinjiro; Lummis, Paul A.; Levchenko, Tetyana I.; Nazemi, Ali; Kaappa, Sami; Malola, Sami; Yousefalizadeh, Goonay; Calhoun, Larry A.; Stamplecoskie, Kevin G.; Häkkinen, Hannu; Tsukuda, Tatsuya; Crudden, Cathleen M.","Robust, Highly Luminescent Au<sub>13</sub> Superatoms Protected by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","38","14997","15002","10.1021/jacs.9b07854","","","0.71075","MoKα","","0.0962","0.0805","","","0.2","0.2134","","","","","","1.088","","","","has coordinates","222023","2020-10-21","18:00:00",""
"4129017","12.858","0.002","10.2977","0.0015","29","0.004","90","","90","","90","","3839.8","1","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H23 Br N O7.5 -","- C17 H23 Br N O7.5 -","- C136 H184 Br8 N8 O60 -","8","2","","Hu, Xiaoran; Zeng, Tian; Husic, Corey C.; Robb, Maxwell J.","Mechanically Triggered Small Molecule Release from a Masked Furfuryl Carbonate.","Journal of the American Chemical Society","2019","141","38","15018","15023","10.1021/jacs.9b08663","","","1.54178","CuKα","","0.087","0.0667","","","0.1871","0.2044","","","","","","1.076","","","","has coordinates,has disorder","222024","2020-10-21","18:00:00",""
"4129018","10.8676","0.0007","12.3856","0.0008","12.9182","0.0008","115.312","0.001","95.615","0.001","97.369","0.001","1536.12","0.17","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H43 N3 Si3 V -","- C27 H43 N3 Si3 V -","- C54 H86 N6 Si6 V2 -","2","1","","Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A.","Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities.","Journal of the American Chemical Society","2019","141","38","15230","15239","10.1021/jacs.9b07062","","","0.71073","MoKα","","0.0973","0.0499","","","0.108","0.1293","","","","","","1.012","","","","has coordinates","222025","2020-10-21","18:00:00",""
"4129019","10.8649","0.0009","12.4225","0.001","13.0617","0.0011","115.202","0.004","96.239","0.004","96.088","0.004","1562.8","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H43.44 N3 Si3 V -","- C27 H43.45 N3 Si3 V -","- C54 H86.9 N6 Si6 V2 -","2","1","","Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A.","Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities.","Journal of the American Chemical Society","2019","141","38","15230","15239","10.1021/jacs.9b07062","","","0.71073","MoKα","","0.115","0.059","","","0.1173","0.1524","","","","","","1.062","","","","has coordinates,has disorder","222026","2020-10-21","18:00:00",""
"4129020","15.9192","0.0011","9.2597","0.0005","19.7266","0.0012","90","","91.164","0.003","90","","2907.2","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 N3 Si2 V -","- C29 H37 N3 Si2 V -","- C116 H148 N12 Si8 V4 -","4","1","","Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A.","Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities.","Journal of the American Chemical Society","2019","141","38","15230","15239","10.1021/jacs.9b07062","","","0.71073","MoKα","","0.0842","0.044","","","0.0976","0.1146","","","","","","1.042","","","","has coordinates","222027","2020-10-21","18:00:00",""
"4129021","17.5887","0.0018","5.0205","0.0005","10.2381","0.0011","90","","90","","90","","904.07","0.16","240","2","240","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H12 Cl N -","- C8 H12 Cl N -","- C32 H48 Cl4 N4 -","4","1","","Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A.","Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities.","Journal of the American Chemical Society","2019","141","38","15230","15239","10.1021/jacs.9b07062","","","0.71073","MoKα","","0.0765","0.0377","","","0.0735","0.0862","","","","","","1.019","","","","has coordinates","222028","2020-10-21","18:00:00",""
"4129022","28.714","0.002","21.1265","0.0007","10.946","0.0003","90","","90","","90","","6640.1","0.5","293","","293.15","","","","","","","","","4","P n n a","-P 2a 2bc","52","","MUF-15","","- C32 H61 Co3 O24 -","- C20 H13 Co3 O12 -","- C160 H104 Co24 O96 -","8","1","","Qazvini, Omid T.; Babarao, Ravichandar; Shi, Zhao-Lin; Zhang, Yue-Biao; Telfer, Shane G.","A Robust Ethane-Trapping Metal-Organic Framework with a High Capacity for Ethylene Purification.","Journal of the American Chemical Society","2019","141","12","5014","5020","10.1021/jacs.9b00913","","","1.54178","CuKα","","0.1056","0.0878","","","0.2481","0.268","","","","","","1.16","","","","has coordinates,has disorder","222029","2020-10-21","18:00:00",""
"4129023","6.3267","0.0002","8.6439","0.0003","29.68","0.002","90","","90","","90","","1623.12","0.13","95","","95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O5 -","- C19 H26 O5 -","- C76 H104 O20 -","4","1","","Khatri, Hem Raj; Bhattarai, Bijay; Kaplan, Will; Li, Zhongzheng; Curtis Long, Marcus John; Aye, Yimon; Nagorny, Pavel","Modular Total Synthesis and Cell-Based Anticancer Activity Evaluation of Ouabagenin and Other Cardiotonic Steroids with Varying Degrees of Oxygenation.","Journal of the American Chemical Society","2019","141","12","4849","4860","10.1021/jacs.8b12870","","x-ray","1.54178","CuKα","","0.0435","0.0415","","","0.1017","0.1111","","","","","","1.145","","","","has coordinates","222030","2020-10-21","18:00:00",""
"4129024","7.36657","0.00008","9.85708","0.00014","14.2852","0.00019","90","","94.3143","0.0011","90","","1034.35","0.02","85","2","85","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O7 -","- C23 H34 O7 -","- C46 H68 O14 -","2","1","","Khatri, Hem Raj; Bhattarai, Bijay; Kaplan, Will; Li, Zhongzheng; Curtis Long, Marcus John; Aye, Yimon; Nagorny, Pavel","Modular Total Synthesis and Cell-Based Anticancer Activity Evaluation of Ouabagenin and Other Cardiotonic Steroids with Varying Degrees of Oxygenation.","Journal of the American Chemical Society","2019","141","12","4849","4860","10.1021/jacs.8b12870","","","1.54184","CuKα","","0.0393","0.0384","","","0.1025","0.105","","","","","","1.078","","","","has coordinates","222031","2020-10-21","18:00:00",""
"4129025","10.883","0.004","14.071","0.006","13.651","0.006","90","","105.587","0.011","90","","2013.6","1.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","2","","Xu, Jiasu; Rawal, Viresh H.","Total Synthesis of (-)-Ambiguine P.","Journal of the American Chemical Society","2019","141","12","4820","4823","10.1021/jacs.9b01739","","","0.71073","MoKα","","0.1015","0.0543","","","0.1276","0.1494","","","","","","1.028","","","","has coordinates","222032","2020-10-21","18:00:00",""
"4129026","16.1688","0.0006","18.0527","0.0008","18.8483","0.0008","63.1338","0.0018","76.4813","0.0019","68.8934","0.0019","4561.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C95.44 H136.52 Cl0.37 N6 O5.82 P -","- C95.445 H136.52 Cl0.37 N6 O5.815 P -","- C190.89 H273.04 Cl0.74 N12 O11.63 P2 -","2","1","","Zhao, Wei; Qiao, Bo; Tropp, Joshua; Pink, Maren; Azoulay, Jason D.; Flood, Amar H.","Linear Supramolecular Polymers Driven by Anion-Anion Dimerization of Difunctional Phosphonate Monomers Inside Cyanostar Macrocycles.","Journal of the American Chemical Society","2019","141","12","4980","4989","10.1021/jacs.9b00248","","","0.71073","MoKα","","0.1754","0.1139","","","0.3151","0.3375","","","","","","1.966","","","","has coordinates,has disorder","222033","2020-10-21","18:00:00",""
"4129027","12.7696","0.0006","13.2248","0.0006","15.5398","0.0007","98.656","0.001","107.333","0.001","113.731","0.001","2180.75","0.18","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H45 Au Cl3 N4 Ni P -","- C47 H45 Au Cl3 N4 Ni P -","- C94 H90 Au2 Cl6 N8 Ni2 P2 -","2","1","","Omori, Hiroto; Hiroto, Satoru; Takeda, Youhei; Fliegl, Heike; Minakata, Satoshi; Shinokubo, Hiroshi","Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position.","Journal of the American Chemical Society","2019","141","12","4800","4805","10.1021/jacs.8b13169","","","0.71073","MoKα","","0.0206","0.0202","","","0.0556","0.0559","","","","","","1.048","","","","has coordinates,has disorder","222034","2020-10-21","18:00:00",""
"4129028","16.4476","0.0003","24.3351","0.0004","40.0869","0.0005","90","","90","","90","","16044.9","0.4","107","2","107","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48.5 H45 N4 Ni O P -","- C48.5 H45 N4 Ni O P -","- C776 H720 N64 Ni16 O16 P16 -","16","2","","Omori, Hiroto; Hiroto, Satoru; Takeda, Youhei; Fliegl, Heike; Minakata, Satoshi; Shinokubo, Hiroshi","Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position.","Journal of the American Chemical Society","2019","141","12","4800","4805","10.1021/jacs.8b13169","","","0.71073","MoKα","","0.0654","0.0457","","","0.1215","0.138","","","","","","1.093","","","","has coordinates,has disorder","254431","2020-10-21","18:00:00",""
"4129029","16.0007","0.001","16.1997","0.001","17.7476","0.0012","100.329","0.002","115.508","0.002","101.094","0.002","3891.7","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H83 Cl3 N8 Ni2 P2 -","- C91 H83 Cl3 N8 Ni2 P2 -","- C182 H166 Cl6 N16 Ni4 P4 -","2","1","","Omori, Hiroto; Hiroto, Satoru; Takeda, Youhei; Fliegl, Heike; Minakata, Satoshi; Shinokubo, Hiroshi","Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position.","Journal of the American Chemical Society","2019","141","12","4800","4805","10.1021/jacs.8b13169","","","0.71073","MoKα","","0.0488","0.0428","","","0.112","0.1216","","","","","","1.075","","","","has coordinates,has disorder","222036","2020-10-21","18:00:00",""
"4129030","7.8235","0.0001","8.2819","0.0001","16.211","0.0002","90","","96.355","0.001","90","","1043.91","0.02","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C46 H60 O8 -","2","1","","Wang, Yu; Ju, Wei; Tian, Hailong; Sun, Suyun; Li, Xinghui; Tian, Weisheng; Gui, Jinghan","Facile Access to Bridged Ring Systems via Point-to-Planar Chirality Transfer: Unified Synthesis of Ten Cyclocitrinols.","Journal of the American Chemical Society","2019","141","12","5021","5033","10.1021/jacs.9b00925","","","1.54178","CuKα","","0.0421","0.0411","","","0.1141","0.1153","","","","","","1.067","","","","has coordinates","222037","2020-10-21","18:00:00",""
"4129031","6.7003","0.0001","14.5512","0.0003","20.4826","0.0004","90","","90","","90","","1997","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","","Wang, Yu; Ju, Wei; Tian, Hailong; Sun, Suyun; Li, Xinghui; Tian, Weisheng; Gui, Jinghan","Facile Access to Bridged Ring Systems via Point-to-Planar Chirality Transfer: Unified Synthesis of Ten Cyclocitrinols.","Journal of the American Chemical Society","2019","141","12","5021","5033","10.1021/jacs.9b00925","","","1.54178","CuKα","","0.0382","0.0374","","","0.1049","0.1059","","","","","","1.051","","","","has coordinates","222038","2020-10-21","18:00:00",""
"4129032","5.0118","0.0008","9.3269","0.0017","32.56","0.005","90","","90","","90","","1522","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O -","- C19 H22 O -","- C76 H88 O4 -","4","1","","Wang, Yu; Ju, Wei; Tian, Hailong; Sun, Suyun; Li, Xinghui; Tian, Weisheng; Gui, Jinghan","Facile Access to Bridged Ring Systems via Point-to-Planar Chirality Transfer: Unified Synthesis of Ten Cyclocitrinols.","Journal of the American Chemical Society","2019","141","12","5021","5033","10.1021/jacs.9b00925","","","0.71073","MoKα","","0.1","0.0529","","","0.1131","0.1395","","","","","","1.064","","","","has coordinates","222039","2020-10-21","18:00:00",""
"4129033","11.4777","0.0005","11.7014","0.0005","15.3255","0.0006","97.482","0.001","90.147","0.001","118.95","0.001","1780.65","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 I O -","- C22 H17 I O -","- C88 H68 I4 O4 -","4","2","","Hu, Zhifei; Tang, Yu; Yu, Biao","Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism.","Journal of the American Chemical Society","2019","141","12","4806","4810","10.1021/jacs.9b00210","","","0.71073","MoKα","","0.0266","0.0216","","","0.0518","0.055","","","","","","1.033","","","","has coordinates","222040","2020-10-21","18:00:00",""
"4129034","22.1638","0.0012","15.0475","0.0009","7.499","0.0004","90","","90","","90","","2501","0.2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H13 I O -","- C14 H13 I O -","- C112 H104 I8 O8 -","8","1","","Hu, Zhifei; Tang, Yu; Yu, Biao","Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism.","Journal of the American Chemical Society","2019","141","12","4806","4810","10.1021/jacs.9b00210","","","0.71073","MoKα","","0.0621","0.056","","","0.1303","0.1341","","","","","","1.138","","","","has coordinates,has disorder","222041","2020-10-21","18:00:00",""
"4129035","10.7002","0.0004","23.8506","0.0008","22.5203","0.0008","90","","98.085","0.001","90","","5690.2","0.4","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H36 O10 -","- C36 H36 O10 -","- C216 H216 O60 -","6","3","","Hu, Zhifei; Tang, Yu; Yu, Biao","Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism.","Journal of the American Chemical Society","2019","141","12","4806","4810","10.1021/jacs.9b00210","","","1.34139","GaKα","","0.1336","0.102","","","0.2625","0.299","","","","","","1.067","","","","has coordinates","222042","2020-10-21","18:00:00",""
"4129036","6.8132","0.001","6.8132","0.001","16.166","0.003","90","","90","","90","","750.4","0.2","298","","298","","","","","","","","","6","P 42/m m c","-P 4c 2","131","CuNipdt2_act","","","- C8 H4 Cu N4 Ni S4 -","- C8 H4 Cu N4 Ni S4 -","- C16 H8 Cu2 N8 Ni2 S8 -","2","0.125","","Aubrey, Michael L.; Kapelewski, Matthew T.; Melville, Jonathan F.; Oktawiec, Julia; Presti, Davide; Gagliardi, Laura; Long, Jeffrey R.","Chemiresistive Detection of Gaseous Hydrocarbons and Interrogation of Charge Transport in Cu[Ni(2,3-pyrazinedithiolate)<sub>2</sub>] by Gas Adsorption.","Journal of the American Chemical Society","2019","141","12","5005","5013","10.1021/jacs.9b00654","powder diffraction","x-ray","0.45212","synchrotron","","","","","","","","","0.042","3.55","","","","","","","has coordinates","222043","2020-10-21","18:00:00",""
"4129037","6.8233","0.0008","6.8233","0.0008","16.1432","0.0016","90","","90","","90","","751.59","0.15","298","","298","","","","","","","","","6","P 42/m m c","-P 4c 2","131","CuNipdt2_C2H2","","","- C10 H6 Cu N4 Ni S4 -","- C10 H6 Cu N4 Ni S4 -","- C20 H12 Cu2 N8 Ni2 S8 -","2","0.125","","Aubrey, Michael L.; Kapelewski, Matthew T.; Melville, Jonathan F.; Oktawiec, Julia; Presti, Davide; Gagliardi, Laura; Long, Jeffrey R.","Chemiresistive Detection of Gaseous Hydrocarbons and Interrogation of Charge Transport in Cu[Ni(2,3-pyrazinedithiolate)<sub>2</sub>] by Gas Adsorption.","Journal of the American Chemical Society","2019","141","12","5005","5013","10.1021/jacs.9b00654","powder diffraction","x-ray","0.45212","synchrotron","","","","","","","","","0.029","2.75","","","","","","","has coordinates","222044","2020-10-21","18:00:00",""
"4129038","6.8342","0.0009","6.8342","0.0009","16.0964","0.0018","90","","90","","90","","751.8","0.16","298","","298","","","","","","","","","6","P 42/m m c","-P 4c 2","131","CuNipdt2_C2H4","","","- C2.4 H1.81 Cu0.25 N Ni0.25 S -","- C2.403 H1.8062 Cu0.25 N Ni0.25 S -","- C19.224 H14.4496 Cu2 N8 Ni2 S8 -","8","0.5","","Aubrey, Michael L.; Kapelewski, Matthew T.; Melville, Jonathan F.; Oktawiec, Julia; Presti, Davide; Gagliardi, Laura; Long, Jeffrey R.","Chemiresistive Detection of Gaseous Hydrocarbons and Interrogation of Charge Transport in Cu[Ni(2,3-pyrazinedithiolate)<sub>2</sub>] by Gas Adsorption.","Journal of the American Chemical Society","2019","141","12","5005","5013","10.1021/jacs.9b00654","powder diffraction","x-ray","0.45212","synchrotron","","","","","","","","","0.047","3.57","","","","","","","has coordinates","222045","2020-10-21","18:00:00",""
"4129039","9.491","0.002","6.116","0.0008","9.9296","0.0018","90","","101.54","0.02","90","","564.73","0.18","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H15 N O3 S -","- C10 H15 N O3 S -","- C20 H30 N2 O6 S2 -","2","1","","Yuan, Jingsong; Xiong, Wei; Zhou, Xuhao; Zhang, Yi; Shi, Dong; Li, Zichen; Lu, Hua","4-Hydroxyproline-Derived Sustainable Polythioesters: Controlled Ring-Opening Polymerization, Complete Recyclability, and Facile Functionalization.","Journal of the American Chemical Society","2019","141","12","4928","4935","10.1021/jacs.9b00031","","","0.71073","MoKα","","0.0586","0.0423","","","0.1054","0.1185","","","","","","0.809","","","","has coordinates","222046","2020-10-21","18:00:00",""
"4129040","8.7471","0.0001","8.7471","0.0001","32.7688","0.0014","90","","90","","90","","2507.2","0.11","180","0.1","180","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C104 H104 N8 O24 S8 -","8","1","","Yuan, Jingsong; Xiong, Wei; Zhou, Xuhao; Zhang, Yi; Shi, Dong; Li, Zichen; Lu, Hua","4-Hydroxyproline-Derived Sustainable Polythioesters: Controlled Ring-Opening Polymerization, Complete Recyclability, and Facile Functionalization.","Journal of the American Chemical Society","2019","141","12","4928","4935","10.1021/jacs.9b00031","","","0.71073","MoKα","","0.0355","0.0312","","","0.0791","0.081","","","","","","1.052","","","","has coordinates","222047","2020-10-21","18:00:00",""
"4129041","6.8458","0.0003","11.2304","0.0004","16.4338","0.0006","90","","99.126","0.002","90","","1247.46","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 Br N2 Ni -","- C24 H40 Br N2 Ni -","- C48 H80 Br2 N4 Ni2 -","2","1","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","1.54178","CuKα","","0.0377","0.0353","","","0.08","0.0818","","","","","","1.115","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129042","6.849","0.003","11.091","0.005","32.493","0.013","90","","93.69","0.015","90","","2463.1","1.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 Cl N2 Ni -","- C24 H40 Cl N2 Ni -","- C96 H160 Cl4 N8 Ni4 -","4","2","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","0.71073","MoKα","","0.0698","0.0652","","","0.1475","0.1492","","","","","","1.359","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129043","7.7891","0.0004","22.175","0.0011","28.51","0.0014","90","","90","","90","","4924.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 I N2 Ni -","- C24 H40 I N2 Ni -","- C192 H320 I8 N16 Ni8 -","8","2","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","1.54178","CuKα","","0.0442","0.0412","","","0.0944","0.0962","","","","","","1.207","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129044","13.0031","0.0005","13.3258","0.0005","14.169","0.0006","90","","90","","90","","2455.16","0.17","300","2","300","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H40 N2 Ni -","- C24 H40 N2 Ni -","- C96 H160 N8 Ni4 -","4","1","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","0.71073","MoKα","","0.0505","0.0432","","","0.1081","0.1161","","","","","","1.148","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129045","13.3155","0.0004","12.3857","0.0003","13.9317","0.0004","90","","104.318","0.001","90","","2226.27","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H72 Br2 N4 Ni2 -","- C44 H72 Br2 N4 Ni2 -","- C88 H144 Br4 N8 Ni4 -","2","1","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","1.54178","CuKα","","0.0207","0.0206","","","0.0513","0.0514","","","","","","1.05","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129046","10.145","0.002","19.61","0.004","11.073","0.002","90","","90.77","0.03","90","","2202.7","0.7","153","2","153.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 B F2 I N O2 -","- C27 H19 B F2 I N O2 -","- C108 H76 B4 F8 I4 N4 O8 -","4","1","","Wang, Xiao-Fang; Xiao, Hongyan; Chen, Peng-Zhong; Yang, Qing-Zheng; Chen, Bin; Tung, Chen-Ho; Chen, Yu-Zhe; Wu, Li-Zhu","Pure Organic Room Temperature Phosphorescence from Excited Dimers in Self-Assembled Nanoparticles under Visible and Near-Infrared Irradiation in Water.","Journal of the American Chemical Society","2019","141","12","5045","5050","10.1021/jacs.9b00859","","","0.71073","MoKα","","0.0918","0.0777","","","0.2364","0.2726","","","","","","1.222","","","","has coordinates","222049","2020-10-21","18:00:00",""
"4129047","10.217","0.002","19.415","0.004","10.927","0.002","90","","90.86","0.03","90","","2167.3","0.7","153","2","153.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 B Br F2 N O2 -","- C27 H19 B Br F2 N O2 -","- C108 H76 B4 Br4 F8 N4 O8 -","4","1","","Wang, Xiao-Fang; Xiao, Hongyan; Chen, Peng-Zhong; Yang, Qing-Zheng; Chen, Bin; Tung, Chen-Ho; Chen, Yu-Zhe; Wu, Li-Zhu","Pure Organic Room Temperature Phosphorescence from Excited Dimers in Self-Assembled Nanoparticles under Visible and Near-Infrared Irradiation in Water.","Journal of the American Chemical Society","2019","141","12","5045","5050","10.1021/jacs.9b00859","","","0.71073","MoKα","","0.082","0.0694","","","0.1963","0.2277","","","","","","1.199","","","","has coordinates","222050","2020-10-21","18:00:00",""
"4129048","9.9099","0.0017","9.9099","0.0017","9.9099","0.0017","90","","90","","90","","973.2","0.3","298","","298","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","yttrium manganese oxide","diyttrium dimanganese(IV) heptoxide","","- Mn2 O7 Y2 -","- Mn2 O6.998 Y2 -","- Mn16 O55.984 Y16 -","8","0.0416667","","Todd, Paul K.; Neilson, James R.","Selective Formation of Yttrium Manganese Oxides through Kinetically Competent Assisted Metathesis Reactions.","Journal of the American Chemical Society","2019","141","3","1191","1195","10.1021/jacs.8b10123","","","1.54","neutron","","","","","","","","","","","","","","","","","has coordinates","222051","2020-10-21","18:00:00",""
"4129049","5.6452","0.0004","7.3942","0.0004","5.2218","0.0003","90","","90","","90","","217.97","0.02","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","Yttrium manganese oxide","Yttrium trimanganese(III) trioxide","","- Mn O3.11 Y -","- Mn O3.11 Y -","- Mn4 O12.44 Y4 -","4","0.5","","Todd, Paul K.; Neilson, James R.","Selective Formation of Yttrium Manganese Oxides through Kinetically Competent Assisted Metathesis Reactions.","Journal of the American Chemical Society","2019","141","3","1191","1195","10.1021/jacs.8b10123","","","1.54","neutron","","","","","","","","","","10.282","","","","","","","has coordinates","222052","2020-10-21","18:00:00",""
"4129050","8.4738","0.00019","14.00094","0.00036","11.47243","0.00031","90","","125.365","0.00084","90","","1109.95","0.05","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Lukin, Stipe; Tireli, Martina; Stolar, Tomislav; Barišić, Dajana; Blanco, Maria Valeria; di Michiel, Marco; Užarević, Krunoslav; Halasz, Ivan","Isotope Labeling Reveals Fast Atomic and Molecular Exchange in Mechanochemical Milling Reactions.","Journal of the American Chemical Society","2019","141","3","1212","1216","10.1021/jacs.8b12149","powder diffraction","","1.5418","CuKα","","","","","","","","0.025","","2.71","","","","","","","has coordinates","222053","2020-10-21","18:00:00",""
"4129051","17.4837","0.0014","17.4837","0.0014","29.713","0.003","90","","90","","120","","7865.8","1.2","172","2","172","2","","","","","","","","3","P 32","P 32","145","","","","- C28 H44 O3 -","- C28 H44 O3 -","- C336 H528 O36 -","12","4","","Heinze, Robert C.; Heretsch, Philipp","Translation of a Polar Biogenesis Proposal into a Radical Synthetic Approach: Synthesis of Pleurocin A/Matsutakone and Pleurocin B.","Journal of the American Chemical Society","2019","141","3","1222","1226","10.1021/jacs.8b13356","","","0.71073","MoKα","","0.0524","0.0408","","","0.0862","0.0911","","","","","","1.001","","","","has coordinates","222054","2020-10-21","18:00:00",""
"4129052","6.3001","0.0002","15.0343","0.0004","31.3137","0.0009","90","","90","","90","","2965.96","0.15","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 O5 -","- C32 H46 O5 -","- C128 H184 O20 -","4","1","","Heinze, Robert C.; Heretsch, Philipp","Translation of a Polar Biogenesis Proposal into a Radical Synthetic Approach: Synthesis of Pleurocin A/Matsutakone and Pleurocin B.","Journal of the American Chemical Society","2019","141","3","1222","1226","10.1021/jacs.8b13356","","","1.54178","CuKα","","0.035","0.0327","","","0.0802","0.0818","","","","","","1.067","","","","has coordinates","222055","2020-10-21","18:00:00",""
"4129074","11.3601","0.0007","5.8169","0.0003","13.5193","0.0009","90","","107.48","0.003","90","","852.11","0.09","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Title","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Tanwar, Lalita; Börgel, Jonas; Ritter, Tobias","Synthesis of Benzylic Alcohols by C-H Oxidation.","Journal of the American Chemical Society","2019","141","45","17983","17988","10.1021/jacs.9b09496","","","","","","","","","","","","","","","","","","","","","has coordinates","246566","2020-10-21","18:00:00",""
"4129075","11.8237","0.0003","11.8237","0.0003","19.047","0.0005","90","","90","","120","","2306.03","0.1","","","","","","","","","","","","4","P 32 2 1","P 32 2""","154","","Title","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C108 H90 N6 O30 -","6","1","","Tanwar, Lalita; Börgel, Jonas; Ritter, Tobias","Synthesis of Benzylic Alcohols by C-H Oxidation.","Journal of the American Chemical Society","2019","141","45","17983","17988","10.1021/jacs.9b09496","","","","","","","","","","","","","","","","","","","","","has coordinates","246566","2020-10-21","18:00:00",""
"4129083","5.3944","0.00006","18.0328","0.0002","29.9372","0.0004","90","","90","","90","","2912.18","0.06","298.43","0.11","298.43","0.11","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C136 H112 O40 -","8","2","","Pyser, Joshua B.; Baker Dockrey, Summer A.; Benítez, Attabey Rodríguez; Joyce, Leo A.; Wiscons, Ren A.; Smith, Janet L.; Narayan, Alison R. H.","Stereodivergent, Chemoenzymatic Synthesis of Azaphilone Natural Products.","Journal of the American Chemical Society","2019","141","46","18551","18559","10.1021/jacs.9b09385","","x-ray","1.54184","CuKα","","0.0332","0.03","","","0.0784","0.0846","","","","","","1.052","","","","has coordinates","246557","2020-10-21","18:00:00",""
"4129084","14.9071","0.0005","15.8745","0.0005","18.8299","0.0006","94.574","0.003","103.809","0.003","110.373","0.003","3991.1","0.3","150","0.14","150","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C68 H67 N5 Ni O2 -","- C68 H67 N5 Ni O2 -","- C136 H134 N10 Ni2 O4 -","2","1","","Xu, Youzhi; Gsänger, Sebastian; Minameyer, Martin B.; Imaz, Inhar; Maspoch, Daniel; Shyshov, Oleksandr; Schwer, Fabian; Ribas, Xavi; Drewello, Thomas; Meyer, Bernd; von Delius, Max","Highly Strained, Radially π-Conjugated Porphyrinylene Nanohoops.","Journal of the American Chemical Society","2019","141","46","18500","18507","10.1021/jacs.9b08584","","x-ray","1.54184","CuKα","","0.0999","0.0764","","","0.2374","0.2569","","","","","","1.08","","","","has coordinates,has disorder","246555","2020-10-21","18:00:00",""
"4129085","15.45","0.005","17.79","0.005","18.18","0.005","115.78","0.08","93.59","0.08","114.36","0.08","3917","6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C132 H124 N8 Ni2 -","- C132 H124 N8 Ni2 -","- C132 H124 N8 Ni2 -","1","0.5","","Xu, Youzhi; Gsänger, Sebastian; Minameyer, Martin B.; Imaz, Inhar; Maspoch, Daniel; Shyshov, Oleksandr; Schwer, Fabian; Ribas, Xavi; Drewello, Thomas; Meyer, Bernd; von Delius, Max","Highly Strained, Radially π-Conjugated Porphyrinylene Nanohoops.","Journal of the American Chemical Society","2019","141","46","18500","18507","10.1021/jacs.9b08584","","","0.70173","synchrotron","","0.2121","0.1289","","","0.3729","0.4427","","","","","","1.243","","","","has coordinates","246555","2020-10-21","18:00:00",""
"4129086","15.83","0.005","34.13","0.005","30.67","0.005","90","","90.14","0.08","90","","16570","6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C192 H124 N8 Ni2 -","- C192 H124 N8 Ni2 -","- C768 H496 N32 Ni8 -","4","1","","Xu, Youzhi; Gsänger, Sebastian; Minameyer, Martin B.; Imaz, Inhar; Maspoch, Daniel; Shyshov, Oleksandr; Schwer, Fabian; Ribas, Xavi; Drewello, Thomas; Meyer, Bernd; von Delius, Max","Highly Strained, Radially π-Conjugated Porphyrinylene Nanohoops.","Journal of the American Chemical Society","2019","141","46","18500","18507","10.1021/jacs.9b08584","","","0.72656","synchrotron","","0.1915","0.1632","","","0.4829","0.5189","","","","","","2.346","","","","has coordinates","246555","2020-10-21","18:00:00",""
"4129088","6.3111","0.0004","9.3707","0.0005","30.764","0.003","90","","90","","90","","1819.4","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(Methylamino)-2-(4-nitrophenyl)-3-phenyl-1-(pyrrolidin-1-yl)propan-1-one","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","","Gonçalves, Carlos R; Lemmerer, Miran; Teskey, Christopher J.; Adler, Pauline; Kaiser, Daniel; Maryasin, Boris; González, Leticia; Maulide, Nuno","Unified Approach to the Chemoselective α-Functionalization of Amides with Heteroatom Nucleophiles.","Journal of the American Chemical Society","2019","141","46","18437","18443","10.1021/jacs.9b06956","","","0.71073","MoKα","","0.057","0.0457","","","0.1019","0.1096","","","","","","1.06","","","","has coordinates","246554","2020-10-21","18:00:00",""
"4129089","10.7706","0.0006","12.8085","0.0007","15.9271","0.0009","96.76","0.002","104.61","0.002","94.684","0.002","2097.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H56 Cl2 N2 O10 Ru -","- C42 H56 Cl2 N2 O10 Ru -","- C84 H112 Cl4 N4 O20 Ru2 -","2","1","","Zhu, Jun; Chen, Peng-Hao; Lu, Gang; Liu, Peng; Dong, Guangbin","Ruthenium-Catalyzed Reductive Cleavage of Unstrained Aryl-Aryl Bonds: Reaction Development and Mechanistic Study.","Journal of the American Chemical Society","2019","141","46","18630","18640","10.1021/jacs.9b11605","","","0.71073","MoKα","","0.0479","0.0319","","","0.0605","0.0647","","","","","","1.04","","","","has coordinates","246556","2020-10-21","18:00:00",""
"4129104","15.9672","0.0004","17.4963","0.0005","19.2176","0.0007","113.521","0.003","91.756","0.002","98.502","0.002","4844.7","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C104 H94 Cl12 N10 O4 -","- C104 H94 Cl12 N10 O4 -","- C208 H188 Cl24 N20 O8 -","2","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.082","0.0645","","","0.1724","0.1874","","","","","","1.016","","","","has coordinates,has disorder","246559","2020-10-21","18:00:00",""
"4129105","8.6711","0.0002","15.7062","0.0004","16.1757","0.0004","92.5156","0.0018","95.7126","0.0019","98.8312","0.0019","2162.12","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H49 Cl2 N5 O -","- C52 H49 Cl2 N5 O -","- C104 H98 Cl4 N10 O2 -","2","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.0748","0.0687","","","0.1841","0.1886","","","","","","1.04","","","","has coordinates","246559","2020-10-21","18:00:00",""
"4129106","9.2009","0.0004","23.2963","0.0016","21.177","0.0013","90","","97.172","0.005","90","","4503.7","0.5","99.96","0.11","99.96","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H47 B Cl3 F2 N5 -","- C51 H47 B Cl3 F2 N5 -","- C204 H188 B4 Cl12 F8 N20 -","4","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.1278","0.0877","","","0.2326","0.2703","","","","","","1.033","","","","has coordinates,has disorder","246559","2020-10-21","18:00:00",""
"4129107","12.2842","0.0003","14.9772","0.0003","16.2006","0.0003","84.5774","0.0017","77.5388","0.0017","67.318","0.002","2685.11","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H47 Cl10 Cu N5 O2 -","- C53 H47 Cl10 Cu N5 O2 -","- C106 H94 Cl20 Cu2 N10 O4 -","2","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.0524","0.0486","","","0.1322","0.1354","","","","","","1.058","","","","has coordinates","246559","2020-10-21","18:00:00",""
"4129108","20.739","0.0012","12.7534","0.0008","32.675","0.004","90","","96.259","0.008","90","","8590.8","1.3","100","0.1","100","0.1","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- C50 H47 N5 -","- C50 H47 N5 -","- C400 H376 N40 -","8","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.0907","0.0631","","","0.1613","0.1772","","","","","","1.009","","","","has coordinates","246559","2020-10-21","18:00:00",""
"4129109","11.90631","0.00013","16.82151","0.00016","21.0724","0.0002","90","","90","","90","","4220.42","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H46 B F2 N5 -","- C50 H46 B F2 N5 -","- C200 H184 B4 F8 N20 -","4","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.0408","0.039","","","0.1039","0.1054","","","","","","1.062","","","","has coordinates","246559","2020-10-21","18:00:00",""
"4129110","19.0466","0.0006","19.0466","0.0006","36.389","0.0012","90","","90","","90","","13200.9","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C31.59 H19.8 Al2 N1.2 O9.05 -","- C31.5928 H19.7964 Al2 N1.1976 O9.0524 -","- C252.742 H158.371 Al16 N9.5808 O72.4192 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","1.54178","CuKα","","0.1465","0.125","","","0.323","0.3391","","","","","","1.423","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129111","18.7104","0.0005","18.7104","0.0005","37.1528","0.0011","90","","90","","90","","13006.4","0.6","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C29 H19.5 Al2 O11.08 P0.5 -","- C29 H19.518 Al2 O11.071 P0.506 -","- C232 H156.144 Al16 O88.568 P4.048 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0523","0.0354","","","0.0802","0.0844","","","","","","0.905","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129112","18.1729","0.0008","18.1729","0.0008","37.6737","0.0017","90","","90","","90","","12441.9","1","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C27 H17 Al2 O12.08 S0.86 -","- C27 H17 Al2 O12.0806 S0.8602 -","- C216 H136 Al16 O96.6448 S6.8816 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","1.0332","synchrotron","","0.035","0.0254","","","0.0542","0.057","","","","","","0.946","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129113","18.5778","0.0006","18.5778","0.0006","37.2977","0.0013","90","","90","","90","","12872.7","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C30.05 H17 Al2 N0.56 O10.56 -","- C29.7427 H22.0663 Al2 N0.5809 O10.5809 -","- C237.942 H176.53 Al16 N4.6472 O84.6472 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0814","0.0682","","","0.2051","0.2206","","","","","","1.041","","","","has coordinates","246562","2020-10-21","18:00:00",""
"4129114","18.4641","0.0006","18.4641","0.0006","37.4193","0.0012","90","","90","","90","","12757.1","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C29.8 H17.44 Al2 O10.15 S0.36 -","- C29.797 H19.4376 Al2 O10.1739 S0.3594 -","- C238.376 H155.501 Al16 O81.3912 S2.8752 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0526","0.0491","","","0.1422","0.1466","","","","","","1.06","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129115","19.2915","0.0005","19.2915","0.0005","36.081","0.0011","90","","90","","90","","13428","0.6","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C33.75 H23.81 Al2 B0.51 N1.02 O10.21 -","- C33.7464 H23.8134 Al2 B0.5075 N1.015 O10.2147 -","- C269.971 H190.507 Al16 B4.06 N8.12 O81.7172 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","0.7288","synchrotron","","0.0572","0.0544","","","0.1434","0.1479","","","","","","1.07","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129116","19.5339","0.0005","19.5339","0.0005","35.7057","0.001","90","","90","","90","","13624.3","0.6","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.98 H18.86 Al2 N2.59 O8.37 -","- C28.9746 H18.8624 Al2 N2.5872 O8.36855 -","- C231.797 H150.899 Al16 N20.6976 O66.9484 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0473","0.0459","","","0.1271","0.1288","","","","","","1.097","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129117","18.1702","0.0006","18.1702","0.0006","37.843","0.0014","90","","90","","90","","12494.1","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C27.45 H18.55 Al2 O11.03 P0.55 -","- C27.4502 H18.5496 Al2 O11.033 P0.5497 -","- C219.602 H148.397 Al16 O88.264 P4.3976 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0367","0.033","","","0.0871","0.089","","","","","","0.991","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129118","19.4481","0.0006","19.4481","0.0006","35.7074","0.0013","90","","90","","90","","13505.6","0.8","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C29.81 H19.81 Al2 N1.87 O8 -","- C29.808 H19.808 Al2 N1.872 O8 -","- C238.464 H158.464 Al16 N14.976 O64 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","1.54178","CuKα","","0.0716","0.0494","","","0.1214","0.131","","","","","","0.991","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129119","18.8135","0.0011","18.8135","0.0011","36.797","0.002","90","","90","","90","","13024.2","1.3","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C29.02 H19.04 Al2 N2.07 O9.21 -","- C29.018 H19.036 Al2 N2.072 O9.214 -","- C232.144 H152.288 Al16 N16.576 O73.712 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0422","0.0358","","","0.087","0.09","","","","","","0.992","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129120","18.6051","0.0008","18.6051","0.0008","37.384","0.0018","90","","90","","90","","12940.5","1","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C30.06 H24.02 Al2 N0.69 O11.09 P0.41 -","- C29.941 H24.071 Al2 N0.647 O11.161 P0.514 -","- C239.528 H192.568 Al16 N5.176 O89.288 P4.112 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0369","0.0282","","","0.061","0.0631","","","","","","0.91","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129121","18.6986","0.0011","18.6986","0.0011","37.201","0.003","90","","90","","90","","13006.9","1.5","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C30.61 H21.53 Al2 O10.25 S0.52 -","- C30.6096 H21.5292 Al2 O10.25 S0.5219 -","- C244.877 H172.234 Al16 O82 S4.1752 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0646","0.0541","","","0.1465","0.156","","","","","","1.036","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129122","19.4353","0.0006","19.4353","0.0006","35.7957","0.0011","90","","90","","90","","13521.1","0.7","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C31 H21 Al2 Br N2 O8 -","- C31 H21 Al2 Br N2 O8 -","- C248 H168 Al16 Br8 N16 O64 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0777","0.0654","","","0.185","0.197","","","","","","1.009","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129123","18.6944","0.0006","18.6944","0.0006","37.0688","0.0012","90","","90","","90","","12954.8","0.7","100","2","100","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C34.5 H21.61 Al2 N2.17 O9.87 -","- C34.5016 H21.612 Al2 N2.1672 O9.8676 -","- C276.013 H172.896 Al16 N17.3376 O78.9408 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.1204","0.0997","","","0.2603","0.2815","","","","","","1.136","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129124","19.3331","0.0006","19.3331","0.0006","36.2317","0.0012","90","","90","","90","","13542.3","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C30.29 H19.53 Al2 N0.76 O9.35 -","- C30.2926 H19.5284 Al2 N0.7642 O9.34925 -","- C242.341 H156.227 Al16 N6.1136 O74.794 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0682","0.0556","","","0.1596","0.1704","","","","","","1.053","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129125","18.9","0.001","18.9","0.001","36.682","0.002","90","","90","","90","","13103.2","1.2","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.72 H18.69 Al2 N2.15 O8.57 -","- C28.718 H18.68 Al2 N2.154 O8.564 -","- C229.744 H149.44 Al16 N17.232 O68.512 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","0.7288","synchrotron","","0.0344","0.0274","","","0.0711","0.0741","","","","","","0.984","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129126","19.4248","0.0007","19.4248","0.0007","35.7345","0.0013","90","","90","","90","","13483.4","0.8","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C37 H27 Al2 N1.8 O10.85 -","- C37 H27 Al2 N1.8 O10.85 -","- C296 H216 Al16 N14.4 O86.8 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0827","0.0795","","","0.219","0.2223","","","","","","1.105","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129127","18.9155","0.0009","18.9155","0.0009","36.6951","0.0019","90","","90","","90","","13129.4","1.1","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.66 H18.66 Al2 N1.97 O8.69 -","- C28.657 H18.657 Al2 N1.971 O8.686 -","- C229.256 H149.256 Al16 N15.768 O69.488 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","0.7288","synchrotron","","0.0321","0.0245","","","0.0519","0.0538","","","","","","0.95","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129128","19.375","0.0009","19.375","0.0009","35.8159","0.0016","90","","90","","90","","13445","1.1","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C36.71 H26.71 Al2 N1.74 O10.8 -","- C36.712 H26.712 Al2 N1.7422 O10.7958 -","- C293.696 H213.696 Al16 N13.9376 O86.3664 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0893","0.0873","","","0.2379","0.2398","","","","","","1.099","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129129","19.1935","0.0011","19.1935","0.0011","36.602","0.002","90","","90","","90","","13483.8","1.3","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.3 H19.22 Al2 O10.76 P0.35 -","- C28.299 H19.22 Al2 O10.7605 P0.349 -","- C226.392 H153.76 Al16 O86.084 P2.792 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0731","0.0668","","","0.2","0.2053","","","","","","1.076","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129130","18.9892","0.0008","18.9892","0.0008","36.9796","0.0015","90","","90","","90","","13334.5","1","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.73 H21.63 Al2 O10.09 P0.73 -","- C28.7264 H21.632 Al2 O10.0858 P0.7264 -","- C229.811 H173.056 Al16 O80.6862 P5.8112 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","0.7288","synchrotron","","0.0513","0.0476","","","0.1358","0.1396","","","","","","1.065","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129131","19.079","0.003","19.079","0.003","36.683","0.005","90","","90","","90","","13353","3","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C34.45 H22.72 Al2 N1.83 O10.47 -","- C34.4508 H22.716 Al2 N1.834 O10.4699 -","- C275.606 H181.728 Al16 N14.672 O83.7596 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0587","0.0532","","","0.145","0.1504","","","","","","1.077","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129132","14.228","0.003","13.62","0.003","18.353","0.004","90","","100.239","0.004","90","","3499.9","1.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 B F6 Mo N10 O5 S -","- C27 H33 B F6 Mo N10 O5 S -","- C108 H132 B4 F24 Mo4 N40 O20 S4 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0573","0.0348","","","0.0731","0.0816","","","","","","1.016","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129133","15.5566","0.0011","25.0893","0.0016","19.727","0.002","90","","102.353","0.002","90","","7521.3","1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 B Cl2 F3 Mo N10 O -","- C30 H34 B Cl2 F3 Mo N10 O -","- C240 H272 B8 Cl16 F24 Mo8 N80 O8 -","8","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.1101","0.0595","","","0.1391","0.1607","","","","","","1.028","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129134","13.8205","0.0008","25.6573","0.0019","20.2557","0.0014","90","","92.501","0.003","90","","7175.8","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62.99 H67.99 B2 Cl1.99 F12 Mo2 N20 O4 -","- C62.9939 H67.9878 B2 Cl1.9878 F12 Mo2 N20 O4 -","- C251.976 H271.951 B8 Cl7.9512 F48 Mo8 N80 O16 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0643","0.0421","","","0.09","0.1029","","","","","","1.044","","","","has coordinates,has disorder","246563","2020-10-21","18:00:00",""
"4129135","11.3506","0.0008","12.5625","0.0009","14.3264","0.0011","84.529","0.002","72.615","0.002","88.843","0.002","1940.6","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H36 B Cl4 F3 Mo N10 O3 -","- C32 H36 B Cl4 F3 Mo N10 O3 -","- C64 H72 B2 Cl8 F6 Mo2 N20 O6 -","2","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0546","0.0363","","","0.0779","0.0852","","","","","","1.023","","","","has coordinates,has disorder","246563","2020-10-21","18:00:00",""
"4129136","13.745","0.0006","15.2669","0.0008","13.937","0.0006","90","","105.432","0.001","90","","2819.1","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","5-JHW-217","","","- C24 H30 B F3 Mo N10 O -","- C24 H30 B F3 Mo N10 O -","- C96 H120 B4 F12 Mo4 N40 O4 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.059","0.0304","","","0.0616","0.0713","","","","","","1.019","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129137","13.817","0.0013","15.5253","0.0015","14.0856","0.0013","90","","104.603","0.002","90","","2923.9","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","5-JHW-227","","","- C26 H32 B F3 Mo N10 O -","- C26 H32 B F3 Mo N10 O -","- C104 H128 B4 F12 Mo4 N40 O4 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0803","0.0461","","","0.0765","0.0854","","","","","","1.05","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129138","12.4233","0.0009","15.1163","0.0011","19.2382","0.0014","109.409","0.001","90.253","0.001","109.324","0.001","3188.9","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","5-JHW-245","","","- C27 H34 B F3 Mo N10 O3 -","- C27 H34 B F3 Mo N10 O3 -","- C108 H136 B4 F12 Mo4 N40 O12 -","4","2","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0852","0.0416","","","0.0788","0.0916","","","","","","1.017","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129139","12.423","0.001","18.4355","0.0015","19.7901","0.0016","98.941","0.001","94.15","0.001","97.286","0.001","4421.5","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H28 B F3 Mo N10 O -","- C23 H28 B F3 Mo N10 O -","- C138 H168 B6 F18 Mo6 N60 O6 -","6","3","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0451","0.0297","","","0.0681","0.0745","","","","","","1.02","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4129140","10.8231","0.0012","20.891","0.002","7.2837","0.0008","90","","90.103","0.003","90","","1646.9","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H19 F3 N2 O2 -","- C19 H19 F3 N2 O2 -","- C76 H76 F12 N8 O8 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0321","0.029","","","0.0687","0.0701","","","","","","1.038","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129141","10.6487","0.0012","7.4485","0.0008","10.8541","0.0012","90","","102.152","0.008","90","","841.62","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","8-benzyl-2,9-dimethyl-4-(trifluoromethyl)-3a,4,7,7a-tetrahydro-1H-4,7-(epiminomethano)isoindole-1,3(2H)-dione","","- C19 H19 F3 N2 O2 -","- C19 H19 F3 N2 O2 -","- C38 H38 F6 N4 O4 -","2","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","1.54178","CuKα","","0.0437","0.0382","","","0.092","0.0953","","","","","","1.029","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129142","11.0432","0.0011","11.4785","0.0011","16.9996","0.0016","101.568","0.003","97.159","0.003","110.427","0.003","1933.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 F6 N2 O3 -","- C20 H18 F6 N2 O3 -","- C80 H72 F24 N8 O12 -","4","2","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0503","0.0407","","","0.1092","0.1179","","","","","","1.053","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129143","19.0565","0.0011","7.1857","0.0004","26.1183","0.0014","90","","110.89","0.003","90","","3341.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 F3 N2 O4 -","- C19 H17 F3 N2 O4 -","- C152 H136 F24 N16 O32 -","8","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","1.54178","CuKα","","0.0387","0.0341","","","0.0868","0.09","","","","","","1.027","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129144","19.218","0.0009","8.0933","0.0004","20.8998","0.0016","90","","96.456","0.002","90","","3230.1","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H14 F3 N3 O2 -","- C18 H14 F3 N3 O2 -","- C144 H112 F24 N24 O16 -","8","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.068","0.0549","","","0.1373","0.1479","","","","","","1.032","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129145","6.6579","0.0003","20.4939","0.0009","12.6239","0.0006","90","","104.427","0.003","90","","1668.17","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-benzyl-2-methyl-1-(trifluoromethyl)-2-azabicyclo[2.2.2]oct-7-ene-6-carbonitrile hydrochloride salt","","- C17 H18 Cl F3 N2 -","- C17 H18 Cl F3 N2 -","- C68 H72 Cl4 F12 N8 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","1.54178","CuKα","","0.0458","0.0382","","","0.0996","0.1037","","","","","","1.039","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129146","22.224","0.004","12.486","0.003","13.371","0.003","90","","92.751","0.006","90","","3706","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","10JHW085","Methyl 3-benzyl-2-methyl-1-(trifluoromethyl)-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate HCl salt","","- C18 H21 Cl F3 N O2 -","- C18 H21 Cl F3 N O2 -","- C144 H168 Cl8 F24 N8 O16 -","8","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.1016","0.0479","","","0.0764","0.0895","","","","","","1","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129147","10.3107","0.0002","36.0951","0.0009","15.803","0.0005","90","","101.428","0.002","90","","5764.7","0.3","150","2","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H45 B F20 N2 O2 Si W -","- C58 H45 B F20 N2 O2 Si W -","- C232 H180 B4 F80 N8 O8 Si4 W4 -","4","1","","Fuchs, Julien; Irran, Elisabeth; Hrobárik, Peter; Klare, Hendrik F. T.; Oestreich, Martin","Si-H Bond Activation with Bullock's Cationic Tungsten(II) Catalyst: CO as Cooperating Ligand.","Journal of the American Chemical Society","2019","141","47","18845","18850","10.1021/jacs.9b10304","","x-ray","1.54184","CuKα","","0.0961","0.0525","","","0.114","0.1371","","","","","","1.024","","","","has coordinates,has disorder","246561","2020-10-21","18:00:00",""
"4129157","3.7553","0.0001","17.3319","0.0004","44.326","0.0014","90","","92.17","0.003","90","","2882.95","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,6-Di(pyrazol-1-yl)pyrimid-2-one (HL1)","","- C10 H8 N6 O -","- C10 H8 N6 O -","- C120 H96 N72 O12 -","12","3","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","0.6889","synchrotron","","0.118","0.0782","","","0.1723","0.1889","","","","","","0.915","","","","has coordinates","246564","2020-10-21","18:00:00",""
"4129158","10.457","0.0003","15.2881","0.0004","15.3002","0.0004","86.767","0.002","77.965","0.003","76.781","0.002","2328.76","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","[4,6-Di(pyrazol-1-yl)pyrimid-2-one]diaqua-bis[acetonitrile] iron(II) diperchlorate (compound 3)","","- C14 H18 Cl2 Fe N8 O11 -","- C14 H18 Cl2 Fe N8 O11 -","- C56 H72 Cl8 Fe4 N32 O44 -","4","2","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0677","0.0575","","","0.1615","0.1691","","","","","","1.087","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129159","10.0049","0.0009","10.1934","0.0011","11.1633","0.0011","109.358","0.009","94.272","0.007","91.322","0.008","1069.75","0.19","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","[4,6-Di(pyrazol-1-yl)pyrimid-2-one]triaqua[acetonitrile] iron(II) di[tetrafluoroborate] (compound 4)","","- C12 H17 B2 F8 Fe N7 O4 -","- C12 H17 B2 F8 Fe N7 O4 -","- C24 H34 B4 F16 Fe2 N14 O8 -","2","1","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0585","0.0532","","","0.1349","0.1399","","","","","","1.019","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129160","28.138","0.012","20.942","0.011","29.14","0.017","90","","93.17","0.04","90","","17145","15","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dodecakis-[4,6-di(pyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate hexa-acetonitrile solvate","","- C132 H114 B7 F28 Fe9 N78 O18 -","- C132 H114 B7 F28 Fe9 N78 O18 -","- C528 H456 B28 F112 Fe36 N312 O72 -","4","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","0.6889","synchrotron","","0.0963","0.0805","","","0.259","0.2741","","","","","","1.089","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129161","17.279","0.0004","24.2218","0.0005","25.7224","0.0004","90","","99.479","0.002","90","","10618.6","0.4","125","2","125","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dodecakis-[4,6-di(4-methylpyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate acetonitrile diethyl ether solvate","","- C159 H176.5 B7 F28 Fe9 N74.5 O20.5 -","- C159 H164.5 B7 F28 Fe9 N74.5 O20.5 -","- C318 H329 B14 F56 Fe18 N149 O41 -","2","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0759","0.0665","","","0.1862","0.1957","","","","","","1.024","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129162","28.3179","0.0003","21.082","0.0002","29.2509","0.0003","90","","92.81","0.001","90","","17441.7","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dodecakis-[4,6-di(pyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate hexa-acetonitrile solvate","","- C132 H114 B7 F28 Fe9 N78 O18 -","- C132 H102 B7 F28 Fe9 N78 O18 -","- C528 H408 B28 F112 Fe36 N312 O72 -","4","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","0.6889","synchrotron","","0.0873","0.0759","","","0.243","0.2554","","","","","","1.102","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129163","17.4969","0.0005","24.4003","0.0011","25.9749","0.0005","90","","98.569","0.002","90","","10965.7","0.6","250","2","250","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dodecakis-[4,6-di(4-methylpyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate acetonitrile diethyl ether solvate","","- C152.8 H162.4 B7 F28 Fe9 N73.8 O19.3 -","- C152.8 H150.4 B7 F28 Fe9 N73.8 O19.3 -","- C305.6 H300.8 B14 F56 Fe18 N147.6 O38.6 -","2","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0854","0.071","","","0.2067","0.2233","","","","","","1.025","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129164","28.4475","0.0003","21.1969","0.0002","29.3353","0.0004","90","","92.571","0.001","90","","17671.3","0.3","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dodecakis-[4,6-di(pyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate hexa-acetonitrile solvate","","- C132 H114 B7 F28 Fe9 N78 O18 -","- C132 H102 B7 F28 Fe9 N78 O18 -","- C528 H408 B28 F112 Fe36 N312 O72 -","4","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","0.6889","synchrotron","","0.0947","0.0799","","","0.2479","0.2638","","","","","","1.07","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129165","28.1814","0.0003","20.9721","0.0002","29.1619","0.0004","90","","93.064","0.001","90","","17210.7","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dodecakis-[4,6-di(pyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate hexa-acetonitrile solvate","","- C132 H114 B7 F28 Fe9 N78 O18 -","- C132 H102 B7 F28 Fe9 N78 O18 -","- C528 H408 B28 F112 Fe36 N312 O72 -","4","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","0.6889","synchrotron","","0.0896","0.0785","","","0.2483","0.2595","","","","","","1.1","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129166","17.4408","0.0002","24.2929","0.0002","25.9866","0.0003","90","","99.074","0.001","90","","10872.4","0.2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dodecakis-[4,6-di(4-methylpyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate acetonitrile diethyl ether solvate","","- C155 H166.5 B7 F28 Fe9 N74.5 O19.5 -","- C155 H154.5 B7 F28 Fe9 N74.5 O19.5 -","- C310 H309 B14 F56 Fe18 N149 O39 -","2","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0673","0.0566","","","0.1676","0.178","","","","","","1.022","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129167","6.3701","0.0004","8.0327","0.0006","12.0083","0.0011","77.757","0.007","88.305","0.006","75.102","0.006","580.09","0.08","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","4,6-Di(4-methylpyrazol-1-yl)pyrimid-2-one (HL2)","","- C12 H12 N6 O -","- C12 H12 N6 O -","- C24 H24 N12 O2 -","2","1","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0575","0.0512","","","0.1359","0.1416","","","","","","1.037","","","","has coordinates","246564","2020-10-21","18:00:00",""
"4129168","11.1084","0.0002","9.5675","0.0001","21.0007","0.0004","90","","102.628","0.002","90","","2177.96","0.06","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Catena-[2-methyl-4,6-(pyrazol-1-yl)pyrimidine]-aqua-acetone-iron(II) ditetrafluoroborate monohydrate (compound 5.H2O)","","- C14 H20 B2 F8 Fe N6 O3 -","- C14 H20 B2 F8 Fe N6 O3 -","- C56 H80 B8 F32 Fe4 N24 O12 -","4","1","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.042","0.0372","","","0.0937","0.0969","","","","","","1.048","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129169","10.40748","0.00019","18.4667","0.0004","11.24341","0.00019","90","","101.052","0.0017","90","","2120.82","0.07","295.9","0.3","295.9","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 Br O2 -","- C25 H23 Br O2 -","- C100 H92 Br4 O8 -","4","2","","Chen, Xiao-Wang; Zhu, Lei; Gui, Yong-Yuan; Jing, Ke; Jiang, Yuan-Xu; Bo, Zhi-Yu; Lan, Yu; Li, Jing; Yu, Da-Gang","Highly Selective and Catalytic Generation of Acyclic Quaternary Carbon Stereocenters via Functionalization of 1,3-Dienes with CO<sub>2</sub>.","Journal of the American Chemical Society","2019","141","47","18825","18835","10.1021/jacs.9b09721","","x-ray","1.54184","CuKα","","0.0553","0.0501","","","0.1394","0.1481","","","","","","1.031","","","","has coordinates","246558","2020-10-21","18:00:00",""
"4129170","14.6595","0.0006","9.9009","0.0003","16.7124","0.001","90","","110.621","0.006","90","","2270.3","0.2","294.2","0.6","294.2","0.6","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H25 Br O2 -","- C26 H25 Br O2 -","- C104 H100 Br4 O8 -","4","1","","Chen, Xiao-Wang; Zhu, Lei; Gui, Yong-Yuan; Jing, Ke; Jiang, Yuan-Xu; Bo, Zhi-Yu; Lan, Yu; Li, Jing; Yu, Da-Gang","Highly Selective and Catalytic Generation of Acyclic Quaternary Carbon Stereocenters via Functionalization of 1,3-Dienes with CO<sub>2</sub>.","Journal of the American Chemical Society","2019","141","47","18825","18835","10.1021/jacs.9b09721","","x-ray","1.54184","CuKα","","0.066","0.0639","","","0.1649","0.1694","","","","","","1.047","","","","has coordinates","246558","2020-10-21","18:00:00",""
"4133227","25.9719","0.0005","23.5149","0.0006","18.9224","0.0003","90","","90","","90","","11556.4","0.4","150.01","0.1","150.01","0.1","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- Co8 Fe8 Na13 O233 P4 Si4 W36 -","- Co8 Fe8 Na13 O233 P4 Si4 W36 -","- Co16 Fe16 Na26 O466 P8 Si8 W72 -","2","0.25","","Han, Xin-Bao; Tang, Xing-Yan; Lin, Yue; Gracia-Espino, Eduardo; Liu, San-Gui; Liang, Hai-Wei; Hu, Guang-Zhi; Zhao, Xin-Jing; Liao, Hong-Gang; Tan, Yuan-Zhi; Wagberg, Thomas; Xie, Su-Yuan; Zheng, Lan-Sun","Ultrasmall Abundant Metal-Based Clusters as Oxygen-Evolving Catalysts.","Journal of the American Chemical Society","2019","141","1","232","239","10.1021/jacs.8b09076","","","1.54184","CuKα","","0.0809","0.0644","","","0.1731","0.1903","","","","","","1.055","","","","has coordinates,has disorder","243064","2020-10-21","18:00:00",""
"4133228","23.4377","0.0004","25.9959","0.0005","18.9014","0.0004","90","","90","","90","","11516.3","0.4","100.01","0.1","100.01","0.1","","","","","","","","8","P m m n :2","-P 2ab 2a","59","","","","- C8 Co12 Fe4 Na19 O232 P4 Si4 W36 -","- C8 Co12 Fe4 Na19 O234 P4 Si4 W36 -","- C16 Co24 Fe8 Na38 O468 P8 Si8 W72 -","2","0.25","","Han, Xin-Bao; Tang, Xing-Yan; Lin, Yue; Gracia-Espino, Eduardo; Liu, San-Gui; Liang, Hai-Wei; Hu, Guang-Zhi; Zhao, Xin-Jing; Liao, Hong-Gang; Tan, Yuan-Zhi; Wagberg, Thomas; Xie, Su-Yuan; Zheng, Lan-Sun","Ultrasmall Abundant Metal-Based Clusters as Oxygen-Evolving Catalysts.","Journal of the American Chemical Society","2019","141","1","232","239","10.1021/jacs.8b09076","","","1.54184","CuKα","","0.0915","0.0821","","","0.2188","0.2347","","","","","","1.056","","","","has coordinates,has disorder","243065","2020-10-21","18:00:00",""
"4133335","19.9187","0.0006","12.8361","0.0003","24.6531","0.0006","90","","101.661","0.003","90","","6173.2","0.3","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69 H81 N9 O2 -","- C69 H81 N9 O2 -","- C276 H324 N36 O8 -","4","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0581","0.0461","","","0.1061","0.1129","","","","","","1.023","","","","has coordinates,has disorder","243156","2020-10-21","18:00:00",""
"4133336","17.911","0.0004","19.5002","0.0004","21.732","0.0005","79.191","0.002","78.964","0.002","85.424","0.002","7310.2","0.3","100","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H80.5 Cl1.5 Co N9 O8 -","- C69 H80.5 Cl1.5 Co N9 O8 -","- C276 H322 Cl6 Co4 N36 O32 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.1172","0.0806","","","0.2039","0.2321","","","","","","1.058","","","","has coordinates,has disorder","243157","2020-10-21","18:00:00",""
"4133337","17.2694","0.0003","18.7541","0.0003","23.8381","0.0004","91.061","0.001","98.694","0.001","109.472","0.002","7175.6","0.2","100","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H82.5 Cl2 Cu N3 O10.25 -","- C68 H82.5 Cl2 Cu N6 O10.25 -","- C272 H330 Cl8 Cu4 N24 O41 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","1.54184","CuKα","","0.1006","0.0857","","","0.2377","0.2517","","","","","","1.046","","","","has coordinates,has disorder","243158","2020-10-21","18:00:00",""
"4133338","14.16695","0.00019","15.3447","0.0002","33.0606","0.0004","80.6174","0.001","78.6057","0.001","85.0442","0.0011","6940.15","0.16","100","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68.5 H83.75 Cl2 Co N6 O10.38 -","- C68.5 H83.75 Cl2 Co N6 O10.375 -","- C274 H335 Cl8 Co4 N24 O41.5 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0582","0.0516","","","0.1309","0.1347","","","","","","1.024","","","","has coordinates,has disorder","243159","2020-10-21","18:00:00",""
"4133339","21.5821","0.0003","19.5966","0.0003","34.0945","0.0006","90","","103.984","0.002","90","","13992.4","0.4","100","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70.33 H85 Cl2 N7.66 O10.25 Zn -","- C70.33 H84.995 Cl2 N7.665 O10.25 Zn -","- C562.64 H679.96 Cl16 N61.32 O82 Zn8 -","8","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0723","0.0604","","","0.1711","0.1786","","","","","","1.062","","","","has coordinates,has disorder","243160","2020-10-21","18:00:00",""
"4133340","15.3429","0.0003","29.8447","0.0005","16.0649","0.0003","90","","109.448","0.002","90","","6936.5","0.2","100","","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H79 Cu F6 N6 O2 P -","- C67 H79 Cu F6 N6 O2 P -","- C268 H316 Cu4 F24 N24 O8 P4 -","4","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","","0.71073","MoKα","","0.1016","0.0961","","","0.2145","0.2175","","","","","","1.13","","","","has coordinates,has disorder","243161","2020-10-21","18:00:00",""
"4133341","11.4007","0.0002","15.078","0.0003","22.0734","0.0004","107.853","0.002","93.183","0.002","108.418","0.002","3377.56","0.13","100","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H83.5 Cu F6 N9 O2.25 P -","- C70 H83.5 Cu F6 N9 O2.25 P -","- C140 H167 Cu2 F12 N18 O4.5 P2 -","2","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0633","0.0544","","","0.1261","0.1308","","","","","","1.091","","","","has coordinates,has disorder","243162","2020-10-21","18:00:00",""
"4133342","17.8219","0.0002","19.5882","0.0003","21.7632","0.0003","79.434","0.001","79.354","0.001","85.891","0.001","7334.52","0.18","100","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C69.25 H83 Cl2 Cu N9 O10.75 -","- C69.25 H83 Cl2 Cu N9 O10.75 -","- C277 H332 Cl8 Cu4 N36 O43 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0897","0.0846","","","0.2157","0.2198","","","","","","1.056","","","","has coordinates,has disorder","243163","2020-10-21","18:00:00",""
"4133343","17.6574","0.0002","19.5677","0.0003","22.0939","0.0003","79.326","0.001","79.151","0.001","85.4","0.001","7359.47","0.18","124.27","0.1","124.27","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C70.2 H84.8 Cl1.5 N9 Ni O8.7 -","- C70.2 H84.8 Cl1.5 N9 Ni O8.7 -","- C280.8 H339.2 Cl6 N36 Ni4 O34.8 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.066","0.0588","","","0.1547","0.1619","","","","","","1.073","","","","has coordinates,has disorder","243164","2020-10-21","18:00:00",""
"4133344","11.882","0.002","16.596","0.003","17.724","0.004","88.443","0.005","86.436","0.006","79.605","0.006","3430.6","1.1","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H80 Cl3 F6 N3 O9 S2 Zn -","- C65 H80 Cl3 F6 N5 O9 S2 Zn -","- C130 H160 Cl6 F12 N10 O18 S4 Zn2 -","2","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","","0.71073","MoKα","","0.0499","0.0423","","","0.1139","0.1224","","","","","","1.0455","","","","has coordinates","243165","2020-10-21","18:00:00",""
"4133345","17.6101","0.0003","19.8415","0.0005","21.9561","0.0004","78.626","0.002","79.156","0.001","84.487","0.002","7372.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H86 Cl2 N9 O10.5 Zn -","- C71 H86 Cl1.5 N9 O8.5 Zn -","- C284 H344 Cl6 N36 O34 Zn4 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","","1.54184","CuKα","","0.1638","0.1364","","","0.3719","0.3981","","","","","","1.449","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4133346","12.0642","0.0002","16.2582","0.0002","33.1294","0.0006","90","","90.603","0.002","90","","6497.71","0.18","100","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65.2 H83.8 Cl2 Cu N6.6 O11.4 -","- C65.2 H83.8 Cl2 Cu N6.6 O11.4 -","- C260.8 H335.2 Cl8 Cu4 N26.4 O45.6 -","4","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.1098","0.0728","","","0.2094","0.2619","","","","","","1.046","","","","has coordinates,has disorder","243167","2020-10-21","18:00:00",""
"4133347","19.0585","0.0002","12.4747","0.0001","25.7522","0.0002","90","","101.83","0.001","90","","5992.52","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C67 H80 N6 O2 -","- C67 H80 N6 O2 -","- C268 H320 N24 O8 -","4","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","1.54184","CuKα","","0.0434","0.0404","","","0.0968","0.0989","","","","","","1.024","","","","has coordinates,has disorder","243168","2020-10-21","18:00:00",""
"4133348","14.9467","0.0003","15.04","0.0003","16.2204","0.0003","104.093","0.002","95.803","0.002","101.189","0.002","3426.92","0.13","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H90 Cl2 N3 Ni O11 -","- C71 H90 Cl2 N6 Ni O11 -","- C142 H180 Cl4 N12 Ni2 O22 -","2","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0369","0.0339","","","0.0839","0.0865","","","","","","1.054","","","","has coordinates,has disorder","243169","2020-10-21","18:00:00",""
"4133366","31.5083","0.0012","31.9261","0.0012","41.4205","0.0016","111.747","0.002","91.181","0.002","100.746","0.002","37838","3","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C84 H1092 Ce8 Mo256 N42 Na6 O1270 -","- C75 Ce8 Mo256 N36 O1152.25 -","- C75 Ce8 Mo256 N36 O1152.25 -","1","1","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.1093","0.0723","","","0.1787","0.2157","","","","","","1.084","","","","has coordinates,has disorder","243172","2020-10-21","18:00:00",""
"4133367","36.286","0.007","43.194","0.009","31.497","0.006","90","","108.25","0.03","90","","46883","18","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C110 H608 Mo154 N20 Na8 O716 -","- C45.2 H45.2 Mo154 N8 Na1.2 O624.2 -","- C90.4 H90.4 Mo308 N16 Na2.4 O1248.4 -","2","0.25","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.1297","0.0804","","","0.1992","0.2485","","","","","","1.107","","","","has coordinates,has disorder","243173","2020-10-21","18:00:00",""
"4133368","35.3331","0.0015","47.455","0.002","20.2692","0.0009","90","","90","","90","","33986","3","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C48 H546 Ce4 Mo132 N24 O643 -","- C48 H74 Ce4 Mo132 N24 O610.2 -","- C96 H148 Ce8 Mo264 N48 O1220.4 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0436","0.0404","","","0.1063","0.1108","","","","","","1.089","","","","has coordinates,has disorder","243174","2020-10-21","18:00:00",""
"4133369","34.9681","0.0011","45.6548","0.0015","20.6531","0.0007","90","","90","","90","","32971.9","1.9","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C86 H534 Ce4 Mo124 N16 Na2 O604 -","- C86 H94 Ce4 Mo124 N16 Na2 O556.3 -","- C172 H188 Ce8 Mo248 N32 Na4 O1112.6 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.046","0.0408","","","0.1042","0.1115","","","","","","1.106","","","","has coordinates,has disorder","243175","2020-10-21","18:00:00",""
"4133370","36.1521","0.0013","43.2693","0.0015","31.4909","0.0011","90","","107.595","0.001","90","","46956","3","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C48 H604 Mo154 N24 Na4 O732 -","- C48 Mo154 N22 O663.6 -","- C96 Mo308 N44 O1327.2 -","2","0.25","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.1228","0.1058","","","0.237","0.2502","","","","","","1.248","","","","has coordinates,has disorder","243176","2020-10-21","18:00:00",""
"4133371","34.961","0.003","45.659","0.004","20.6838","0.0014","90","","90","","90","","33017","5","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C86 H534 Ce4 Mo124 N16 Na2 O604 -","- C85.2 H100 Ce4 Mo124.04 N16 Na1.3 O541.9 -","- C170.4 H200 Ce8 Mo248.08 N32 Na2.6 O1083.8 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0608","0.0476","","","0.1212","0.1345","","","","","","1.083","","","","has coordinates,has disorder","243177","2020-10-21","18:00:00",""
"4133372","35.356","0.003","47.448","0.004","20.2608","0.0015","90","","90","","90","","33989","5","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C48 H546 Ce4 Mo132 N24 O643 -","- C48 H74 Ce4 Mo132 N24 O616.6 -","- C96 H148 Ce8 Mo264 N48 O1233.2 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0431","0.0388","","","0.1011","0.1055","","","","","","1.07","","","","has coordinates,has disorder","243178","2020-10-21","18:00:00",""
"4133373","35.219","0.006","44.928","0.008","20.818","0.004","90","","90","","90","","32941","10","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C36 H552 Ce4 Mo124 N24 O612 -","- C34.8 H90 Ce4 Mo124 N24 O554.5 -","- C69.6 H180 Ce8 Mo248 N48 O1109 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0611","0.0472","","","0.117","0.1289","","","","","","1.074","","","","has coordinates,has disorder","243179","2020-10-21","18:00:00",""
"4133374","35.056","0.003","45.188","0.004","20.8435","0.0018","90","","90","","90","","33018","5","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C36 H552 Ce4 Mo124 N24 O612 -","- C36 H88 Ce4 Mo124 N23 O571.16 -","- C72 H176 Ce8 Mo248 N46 O1142.32 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0483","0.0398","","","0.0983","0.105","","","","","","1.068","","","","has coordinates,has disorder","243180","2020-10-21","18:00:00",""
"4133375","39.73","0.008","20.462","0.004","40.363","0.008","90","","90.8","0.03","90","","32810","11","100","2","100","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C36 H508 Ce4 Mo132 N18 O629 -","- C36 H54 Ce4.5 Mo132 N18 O559.4 -","- C72 H108 Ce9 Mo264 N36 O1118.8 -","2","1","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.6889","Synchrotron","","0.0723","0.067","","","0.2026","0.2086","","","","","","1.025","","","","has coordinates,has disorder","243181","2020-10-21","18:00:00",""
"4133415","20.962","0.004","12.826","0.003","18.178","0.004","90","","110.79","0.03","90","","4569.1","1.9","173","2","173.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H19 Cl -","- C30.5 H19 Cl -","- C244 H152 Cl8 -","8","1","","Zhou, Weixiang; Shen, Han; Wu, Chenyu; Tu, Zeyi; He, Feng; Gu, Yanan; Xue, Yurui; Zhao, Yingjie; Yi, Yuanping; Li, Yongjun; Li, Yuliang","Direct Synthesis of Crystalline Graphdiyne Analogue Based on Supramolecular Interactions.","Journal of the American Chemical Society","2019","141","1","48","52","10.1021/jacs.8b09945","","","0.71073","MoKα","","0.0736","0.0672","","","0.1465","0.1496","","","","","","1.164","","","","has coordinates","243212","2020-10-21","18:00:00",""
"4133416","15.289","0.006","13.561","0.005","9.488","0.004","90","","95.023","0.004","90","","1959.6","1.3","173","2","173.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 -","- C28 H18 -","- C112 H72 -","4","1","","Zhou, Weixiang; Shen, Han; Wu, Chenyu; Tu, Zeyi; He, Feng; Gu, Yanan; Xue, Yurui; Zhao, Yingjie; Yi, Yuanping; Li, Yongjun; Li, Yuliang","Direct Synthesis of Crystalline Graphdiyne Analogue Based on Supramolecular Interactions.","Journal of the American Chemical Society","2019","141","1","48","52","10.1021/jacs.8b09945","","","0.71073","MoKα","","0.0865","0.074","","","0.1427","0.1495","","","","","","1.198","","","","has coordinates","243213","2020-10-21","18:00:00",""
"4133434","16.587","0.003","20.288","0.004","23.765","0.005","83.27","0.03","80.28","0.03","81.98","0.03","7769","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H90 Au25 N S2.2 Se15.8 -","- C119 H90 Au25 N S2.176 Se15.824 -","- C238 H180 Au50 N2 S4.352 Se31.648 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0782","0.0614","","","0.1801","0.189","","","","","","1.09","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133435","16.612","0.003","20.297","0.004","23.736","0.005","83.17","0.03","80.2","0.03","81.91","0.03","7771","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C125 H90 Au25 N S2.22 Se15.78 -","- C124 H90 Au25 S2.393 Se15.607 -","- C248 H180 Au50 S4.786 Se31.214 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0836","0.0728","","","0.2153","0.2238","","","","","","1.078","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133436","16.597","0.003","20.304","0.004","23.758","0.005","83.35","0.03","80.26","0.03","81.89","0.03","7777","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H90 Au25 N S2.97 Se15.03 -","- C123 H90 Au25 N S2.857 Se15.143 -","- C246 H180 Au50 N2 S5.714 Se30.286 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0714","0.0635","","","0.182","0.1908","","","","","","1.095","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133437","16.555","0.003","20.257","0.004","23.831","0.005","83.18","0.03","80.08","0.03","81.7","0.03","7754","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C129 H90 Au25 N S1.35 Se16.65 -","- C129 H90 Au25 N S1.355 Se16.645 -","- C258 H180 Au50 N2 S2.71 Se33.29 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0529","0.0493","","","0.1352","0.1417","","","","","","1.033","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133438","16.55","0.003","20.272","0.004","23.826","0.005","83.16","0.03","80.06","0.03","81.68","0.03","7754","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H90 Au25 N S1.21 Se16.79 -","- C128 H90 Au25 N S1.207 Se16.793 -","- C256 H180 Au50 N2 S2.414 Se33.586 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0714","0.0664","","","0.1807","0.1849","","","","","","1.037","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133439","16.558","0.003","20.277","0.004","23.823","0.005","83.13","0.03","80.1","0.03","81.66","0.03","7759","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C131 H90 Au25 N S1.19 Se16.81 -","- C131 H90 Au25 N S1.188 Se16.812 -","- C262 H180 Au50 N2 S2.376 Se33.624 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0605","0.0572","","","0.1567","0.1598","","","","","","1.051","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133440","17.09","0.003","20.273","0.004","26.125","0.005","74.45","0.03","73.34","0.03","67.65","0.03","7890","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H90 Au25 N S3.12 Se14.88 -","- C123 H90 Au25 N S3.118 Se14.882 -","- C246 H180 Au50 N2 S6.236 Se29.764 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.05","0.045","","","0.1214","0.1293","","","","","","1.08","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133441","17.091","0.003","20.257","0.004","26.102","0.005","74.39","0.03","73.37","0.03","67.63","0.03","7875","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H90 Au25 N S2.79 Se15.21 -","- C120 H90 Au25 N S2.79 Se15.21 -","- C240 H180 Au50 N2 S5.58 Se30.42 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0716","0.0671","","","0.1886","0.1935","","","","","","1.037","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133442","16.615","0.003","16.617","0.003","16.798","0.003","70.27","0.03","74.99","0.03","62.56","0.03","3844.6","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H90 Au25 S2.38 Se15.62 -","- C108 H90 Au25 S2.38 Se15.62 -","- C108 H90 Au25 S2.38 Se15.62 -","1","0.5","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0682","0.065","","","0.1707","0.1732","","","","","","1.059","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133443","16.638","0.003","16.653","0.003","16.868","0.003","70.3","0.03","74.97","0.03","62.52","0.03","3873.4","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H90 Au25 S2.36 Se15.64 -","- C108 H90 Au25 S2.36 Se15.64 -","- C108 H90 Au25 S2.36 Se15.64 -","1","0.5","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0599","0.0561","","","0.1579","0.1625","","","","","","1.046","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133444","16.548","0.003","20.264","0.004","23.797","0.005","83.25","0.03","80.14","0.03","81.74","0.03","7745","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C133 H90 Au25 N S1.36 Se16.64 -","- C130 H90 Au25 N S1.377 Se16.623 -","- C260 H180 Au50 N2 S2.754 Se33.246 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0668","0.0602","","","0.1634","0.168","","","","","","1.06","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133445","16.552","0.003","20.297","0.004","23.828","0.005","83.14","0.03","80.05","0.03","81.62","0.03","7764","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H90 Au25 N S1.34 Se16.66 -","- C120 H90 Au25 N S1.333 Se16.667 -","- C240 H180 Au50 N2 S2.666 Se33.334 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0658","0.059","","","0.1672","0.1728","","","","","","1.077","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133446","16.574","0.003","20.332","0.004","23.845","0.005","83.19","0.03","79.85","0.03","81.5","0.03","7787","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H90 Au25 N S1.34 Se16.66 -","- C124 H90 Au25 S1.343 Se16.657 -","- C248 H180 Au50 S2.686 Se33.314 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0766","0.0652","","","0.1746","0.1841","","","","","","1.053","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133467","9.559","0.0004","16.4554","0.0009","20.1613","0.001","90","","90","","90","","3171.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","KRA-05-1-5","","","- C16 H20 Cl O2 P -","- C16 H20 Cl O2 P -","- C128 H160 Cl8 O16 P8 -","8","2","","Siebert, Max; Seibicke, Max; Siegle, Alexander F.; Kräh, Sabrina; Trapp, Oliver","Selective Ruthenium-Catalyzed Transformation of Carbon Dioxide: An Alternative Approach toward Formaldehyde.","Journal of the American Chemical Society","2019","141","1","334","341","10.1021/jacs.8b10233","","","0.71073","MoKα","","0.0543","0.0432","","","0.1003","0.1072","","","","","","1.059","","","","has coordinates,has disorder","243239","2020-10-21","18:00:00",""
"4133468","16.4485","0.0006","32.1049","0.0012","19.4326","0.0007","90","","95.256","0.001","90","","10218.8","0.6","104","2","104","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KRA-07-2-1","","","- C57.21 H72.43 Cl0.43 N P3 -","- C57.2143 H72.4286 Cl0.4288 N P3 -","- C457.714 H579.429 Cl3.4304 N8 P24 -","8","2","","Siebert, Max; Seibicke, Max; Siegle, Alexander F.; Kräh, Sabrina; Trapp, Oliver","Selective Ruthenium-Catalyzed Transformation of Carbon Dioxide: An Alternative Approach toward Formaldehyde.","Journal of the American Chemical Society","2019","141","1","334","341","10.1021/jacs.8b10233","","","0.71073","MoKα","","0.0652","0.0427","","","0.0952","0.1073","","","","","","1.039","","","","has coordinates,has disorder","243239","2020-10-21","18:00:00",""
"4133469","14.4125","0.0005","11.9967","0.0006","23.2456","0.0013","90","","102.13","0.001","90","","3929.5","0.3","104","2","104","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KRA-21-1-1","","","- C45 H48 N O2.63 P3 -","- C45 H48 N O2.628 P3 -","- C180 H192 N4 O10.512 P12 -","4","1","","Siebert, Max; Seibicke, Max; Siegle, Alexander F.; Kräh, Sabrina; Trapp, Oliver","Selective Ruthenium-Catalyzed Transformation of Carbon Dioxide: An Alternative Approach toward Formaldehyde.","Journal of the American Chemical Society","2019","141","1","334","341","10.1021/jacs.8b10233","","","0.71073","MoKα","","0.061","0.0424","","","0.0978","0.1084","","","","","","1.038","","","","has coordinates","243239","2020-10-21","18:00:00",""
"4133470","10.4191","0.0004","12.8274","0.0005","18.6751","0.0006","97.428","0.001","98.167","0.001","109.249","0.001","2290.7","0.15","104","2","104","2","","","","","","","","6","P -1","-P 1","2","KRA-22-2-4","","","- C50 H55 Cl3 N P3 Ru -","- C50 H55 Cl3 N P3 Ru -","- C100 H110 Cl6 N2 P6 Ru2 -","2","1","","Siebert, Max; Seibicke, Max; Siegle, Alexander F.; Kräh, Sabrina; Trapp, Oliver","Selective Ruthenium-Catalyzed Transformation of Carbon Dioxide: An Alternative Approach toward Formaldehyde.","Journal of the American Chemical Society","2019","141","1","334","341","10.1021/jacs.8b10233","","","0.71073","MoKα","","0.0677","0.0541","","","0.1301","0.1412","","","","","","1.036","","","","has coordinates,has disorder","243239","2020-10-21","18:00:00",""
"4133472","9.1748","0.0003","12.0308","0.0003","15.151","0.0004","95.641","0.002","98.831","0.003","109.006","0.003","1542.65","0.08","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H25 F6 N4 O P Ru S -","- C30 H25 F6 N4 O P Ru S -","- C60 H50 F12 N8 O2 P2 Ru2 S2 -","2","1","","Lameijer, Lucien N.; van de Griend, Corjan; Hopkins, Samantha L.; Volbeda, Anne-Geert; Askes, Sven H. C.; Siegler, Maxime A.; Bonnet, Sylvestre","Photochemical Resolution of a Thermally Inert Cyclometalated Ru(phbpy)(N-N)(Sulfoxide)<sup>+</sup> Complex.","Journal of the American Chemical Society","2019","141","1","352","362","10.1021/jacs.8b10264","","","1.54178","CuKα","","0.0279","0.0263","","","0.0623","0.0634","","","","","","1.051","","","","has coordinates,has disorder","243241","2020-10-21","18:00:00",""
"4133473","15.6544","0.0003","38.0206","0.0006","14.7943","0.0003","90","","116.312","0.002","90","","7893.1","0.3","110","2","110","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 Cl0.24 F4.53 N6 O P0.76 Ru S -","- C36 H27 Cl0.2447 F4.5324 N6 O P0.7554 Ru S -","- C288 H216 Cl1.9576 F36.2592 N48 O8 P6.0432 Ru8 S8 -","8","1","","Lameijer, Lucien N.; van de Griend, Corjan; Hopkins, Samantha L.; Volbeda, Anne-Geert; Askes, Sven H. C.; Siegler, Maxime A.; Bonnet, Sylvestre","Photochemical Resolution of a Thermally Inert Cyclometalated Ru(phbpy)(N-N)(Sulfoxide)<sup>+</sup> Complex.","Journal of the American Chemical Society","2019","141","1","352","362","10.1021/jacs.8b10264","","","1.54178","CuKα","","0.0695","0.0617","","","0.1779","0.1881","","","","","","1.045","","","","has coordinates,has disorder","243242","2020-10-21","18:00:00",""
"4133474","16.488","0.0005","10.0475","0.0003","18.4299","0.0006","90","","116.276","0.004","90","","2737.68","0.17","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 F6 N4 O P Ru S -","- C28 H25 F6 N4 O P Ru S -","- C112 H100 F24 N16 O4 P4 Ru4 S4 -","4","1","","Lameijer, Lucien N.; van de Griend, Corjan; Hopkins, Samantha L.; Volbeda, Anne-Geert; Askes, Sven H. C.; Siegler, Maxime A.; Bonnet, Sylvestre","Photochemical Resolution of a Thermally Inert Cyclometalated Ru(phbpy)(N-N)(Sulfoxide)<sup>+</sup> Complex.","Journal of the American Chemical Society","2019","141","1","352","362","10.1021/jacs.8b10264","","","0.71073","MoKα","","0.0337","0.0283","","","0.0629","0.066","","","","","","1.03","","","","has coordinates","243243","2020-10-21","18:00:00",""
"4133475","15.1228","0.0004","16.8679","0.0004","25.1053","0.0004","100.234","0.0018","90.1903","0.0018","104.221","0.002","6101.7","0.2","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H25 F6 N6 O P Ru S -","- C32 H25 F6 N6 O P Ru S -","- C256 H200 F48 N48 O8 P8 Ru8 S8 -","8","4","","Lameijer, Lucien N.; van de Griend, Corjan; Hopkins, Samantha L.; Volbeda, Anne-Geert; Askes, Sven H. C.; Siegler, Maxime A.; Bonnet, Sylvestre","Photochemical Resolution of a Thermally Inert Cyclometalated Ru(phbpy)(N-N)(Sulfoxide)<sup>+</sup> Complex.","Journal of the American Chemical Society","2019","141","1","352","362","10.1021/jacs.8b10264","","","1.54178","CuKα","","0.051","0.0364","","","0.0854","0.0917","","","","","","0.894","","","","has coordinates,has disorder","243244","2020-10-21","18:00:00",""
"4133480","13.2397","0.0004","30.39","0.0009","15.9976","0.0004","90","","105.737","0.001","90","","6195.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C146 H192 Li2 O16 -","- C146 H192 Li2 O16 -","- C292 H384 Li4 O32 -","2","0.5","","Dong, Shaoqiang; Gopalakrishna, Tullimilli Y.; Han, Yi; Phan, Hoa; Tao, Tao; Ni, Yong; Liu, Gang; Chi, Chunyan","Extended Bis(anthraoxa)quinodimethanes with Nine and Ten Consecutively Fused Six-Membered Rings: Neutral Diradicaloids and Charged Diradical Dianions/Dications.","Journal of the American Chemical Society","2019","141","1","62","66","10.1021/jacs.8b10279","","","1.54178","CuKα","","0.057","0.0481","","","0.1029","0.1064","","","","","","1.051","","","","has coordinates","243249","2020-10-21","18:00:00",""
"4133481","7.6416","0.0002","15.0479","0.0005","23.3547","0.0008","89.396","0.002","86.094","0.001","83.812","0.001","2663.69","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H104 F6 O6 -","- C118 H104 F6 O6 -","- C118 H104 F6 O6 -","1","0.5","","Dong, Shaoqiang; Gopalakrishna, Tullimilli Y.; Han, Yi; Phan, Hoa; Tao, Tao; Ni, Yong; Liu, Gang; Chi, Chunyan","Extended Bis(anthraoxa)quinodimethanes with Nine and Ten Consecutively Fused Six-Membered Rings: Neutral Diradicaloids and Charged Diradical Dianions/Dications.","Journal of the American Chemical Society","2019","141","1","62","66","10.1021/jacs.8b10279","","","1.54178","CuKα","","0.1057","0.0969","","","0.2621","0.2704","","","","","","1.069","","","","has coordinates,has disorder","243250","2020-10-21","18:00:00",""
"4133482","14.0023","0.0014","17.9457","0.0018","18.3619","0.0018","116.776","0.003","100.802","0.004","99.945","0.003","3868.4","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C178 H234 Li2 O18 -","- C178 H234 Li2 O18 -","- C178 H234 Li2 O18 -","1","0.5","","Dong, Shaoqiang; Gopalakrishna, Tullimilli Y.; Han, Yi; Phan, Hoa; Tao, Tao; Ni, Yong; Liu, Gang; Chi, Chunyan","Extended Bis(anthraoxa)quinodimethanes with Nine and Ten Consecutively Fused Six-Membered Rings: Neutral Diradicaloids and Charged Diradical Dianions/Dications.","Journal of the American Chemical Society","2019","141","1","62","66","10.1021/jacs.8b10279","","","1.54178","CuKα","","0.0869","0.0794","","","0.2366","0.2471","","","","","","1.034","","","","has coordinates,has disorder","243251","2020-10-21","18:00:00",""
"4133483","12.7262","0.0007","14.1728","0.0008","22.2771","0.0012","82.881","0.002","75.763","0.002","65.38","0.002","3539.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C96 H94 O2 -","- C96 H94 O2 -","- C192 H188 O4 -","2","1","","Dong, Shaoqiang; Gopalakrishna, Tullimilli Y.; Han, Yi; Phan, Hoa; Tao, Tao; Ni, Yong; Liu, Gang; Chi, Chunyan","Extended Bis(anthraoxa)quinodimethanes with Nine and Ten Consecutively Fused Six-Membered Rings: Neutral Diradicaloids and Charged Diradical Dianions/Dications.","Journal of the American Chemical Society","2019","141","1","62","66","10.1021/jacs.8b10279","","","1.54178","CuKα","","0.0776","0.0673","","","0.1871","0.1998","","","","","","1.03","","","","has coordinates,has disorder","243252","2020-10-21","18:00:00",""
"4133485","8.9084","0.0004","39.9686","0.0019","13.1196","0.0006","90","","109.252","0.002","90","","4410.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C144 H244 N28 O63 -","- C144 H244 N28 O63 -","- C144 H244 N28 O63 -","1","0.5","","Mondal, Sudipta; Jacoby, Guy; Sawaya, Michael R.; Arnon, Zohar A.; Adler-Abramovich, Lihi; Rehak, Pavel; Vuković, Lela; Shimon, Linda J. W.; Král, Petr; Beck, Roy; Gazit, Ehud","Transition of Metastable Cross-α Crystals into Cross-β Fibrils by β-Turn Flipping.","Journal of the American Chemical Society","2019","141","1","363","369","10.1021/jacs.8b10289","","","0.71073","MoKα","","0.0641","0.0532","","","0.1315","0.1391","","","","","","1.053","","","","has coordinates,has disorder","243254","2020-10-21","18:00:00",""
"4133510","10.6321","0.0006","21.0128","0.0014","22.5307","0.0015","98.837","0.004","103.69","0.004","102.785","0.004","4655.3","0.5","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","","","- C101 H81 F24 N8 P4 -","- C101 H81 F24 N8 P4 -","- C202 H162 F48 N16 P8 -","2","1","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","1.54178","CuKα","","0.1353","0.1212","","","0.3998","0.4153","","","","","","1.838","","","","has coordinates,has disorder","243280","2020-10-21","18:00:00",""
"4133511","32.128","0.003","40.07","0.004","12.3508","0.0012","90","","99.299","0.006","90","","15691","3","250","2","250","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H54 F24 N6 P4 -","- C62 H54 F24 N6 P4 -","- C496 H432 F192 N48 P32 -","8","1","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","1.54178","CuKα","","0.157","0.1348","","","0.4119","0.4322","","","","","","1.644","","","","has coordinates,has disorder","243281","2020-10-21","18:00:00",""
"4133512","17.802","0.004","17.802","0.004","26.606","0.007","90","","90","","90","","8432","3","100","2","99.99","","","","","","","","","6","I 41 m d","I 4bw -2","109","","","","- C76 H58 F24 N4 O2 P4 -","- C76 H58 F24 N4 O2 P4 -","- C304 H232 F96 N16 O8 P16 -","4","0.25","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","1.54178","CuKα","","0.0662","0.0583","","","0.1758","0.1857","","","","","","1.053","","","","has coordinates,has disorder","243282","2020-10-21","18:00:00",""
"4133513","10.3102","0.0007","11.1967","0.0008","21.5627","0.0015","79.7093","0.0016","86.3983","0.0016","64.3662","0.0016","2207.8","0.3","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C94 H80 F24 N8 P4 -","- C94 H80 F24 N8 P4 -","- C94 H80 F24 N8 P4 -","1","0.5","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","0.71073","MoKα","","0.1131","0.0884","","","0.2536","0.279","","","","","","1.067","","","","has coordinates,has disorder","243283","2020-10-21","18:00:00",""
"4133514","19.84","0.0008","12.3137","0.0005","14.4575","0.0006","90","","105.945","0.002","90","","3396.1","0.2","100","2","100.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H51 F24 N5 P4 -","- C60 H51 F24 N5 P4 -","- C120 H102 F48 N10 P8 -","2","0.5","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","1.54178","CuKα","","0.112","0.0916","","","0.266","0.2874","","","","","","1.216","","","","has coordinates,has disorder","243284","2020-10-21","18:00:00",""
"4133515","19.8606","0.0011","12.2479","0.0006","14.4094","0.0009","90","","105.31","0.004","90","","3380.7","0.3","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H56 F24 N4 O2 P4 -","- C72 H56 F24 N4 O2 P4 -","- C144 H112 F48 N8 O4 P8 -","2","0.5","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","1.54178","CuKα","","0.0955","0.0765","","","0.2092","0.23","","","","","","1.043","","","","has coordinates,has disorder","243285","2020-10-21","18:00:00",""
"4133526","9.5932","0.001","16.8116","0.0017","6.1756","0.0006","90","","90","","90","","995.98","0.17","100","2","100","2","","","","","","","","3","F m m 2","F 2 -2","42","","","","- C14 H11 P -","- C14 H11 P -","- C56 H44 P4 -","4","0.25","","Transue, Wesley J.; Nava, Matthew; Terban, Maxwell W.; Yang, Jing; Greenberg, Matthew W.; Wu, Gang; Foreman, Elizabeth S.; Mustoe, Chantal L.; Kennepohl, Pierre; Owen, Jonathan S.; Billinge, Simon J. L.; Kulik, Heather J.; Cummins, Christopher C.","Anthracene as a Launchpad for a Phosphinidene Sulfide and for Generation of a Phosphorus-Sulfur Material Having the Composition P<sub>2</sub>S, a Vulcanized Red Phosphorus That Is Yellow.","Journal of the American Chemical Society","2019","141","1","431","440","10.1021/jacs.8b10775","","","0.71073","MoKα","","0.0214","0.0214","","","0.0609","0.0609","","","","","","1.226","","","","has coordinates","243291","2020-10-21","18:00:00",""
"4133527","16.375","0.0006","10.7086","0.0004","22.9666","0.0009","90","","100.066","0.002","90","","3965.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H49 O P3 Pt S -","- C44 H49 O P3 Pt S -","- C176 H196 O4 P12 Pt4 S4 -","4","1","","Transue, Wesley J.; Nava, Matthew; Terban, Maxwell W.; Yang, Jing; Greenberg, Matthew W.; Wu, Gang; Foreman, Elizabeth S.; Mustoe, Chantal L.; Kennepohl, Pierre; Owen, Jonathan S.; Billinge, Simon J. L.; Kulik, Heather J.; Cummins, Christopher C.","Anthracene as a Launchpad for a Phosphinidene Sulfide and for Generation of a Phosphorus-Sulfur Material Having the Composition P<sub>2</sub>S, a Vulcanized Red Phosphorus That Is Yellow.","Journal of the American Chemical Society","2019","141","1","431","440","10.1021/jacs.8b10775","","","0.71073","MoKα","","0.0427","0.0394","","","0.0863","0.0879","","","","","","1.07","","","","has coordinates,has disorder","243292","2020-10-21","18:00:00",""
"4133528","8.3118","0.0005","22.2656","0.0012","6.2032","0.0003","90","","90","","90","","1148.01","0.11","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 P S -","- C14 H11 P S -","- C56 H44 P4 S4 -","4","1","","Transue, Wesley J.; Nava, Matthew; Terban, Maxwell W.; Yang, Jing; Greenberg, Matthew W.; Wu, Gang; Foreman, Elizabeth S.; Mustoe, Chantal L.; Kennepohl, Pierre; Owen, Jonathan S.; Billinge, Simon J. L.; Kulik, Heather J.; Cummins, Christopher C.","Anthracene as a Launchpad for a Phosphinidene Sulfide and for Generation of a Phosphorus-Sulfur Material Having the Composition P<sub>2</sub>S, a Vulcanized Red Phosphorus That Is Yellow.","Journal of the American Chemical Society","2019","141","1","431","440","10.1021/jacs.8b10775","","","0.71073","MoKα","","0.0288","0.0274","","","0.0666","0.0673","","","","","","1.045","","","","has coordinates","243293","2020-10-21","18:00:00",""
"4133547","10.3858","0.0004","11.1289","0.0005","17.4363","0.0008","90","","90","","90","","2015.33","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br Cl N2 O3 -","- C20 H16 Br Cl N2 O3 -","- C80 H64 Br4 Cl4 N8 O12 -","4","1","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.0832","0.0501","","","0.1056","0.1272","","","","","","1.025","","","","has coordinates","243304","2020-10-21","18:00:00",""
"4133548","9.133","0.0004","12.6163","0.0004","10.2204","0.0003","90","","113.676","0.004","90","","1078.52","0.07","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H21 Br N2 O4 S -","- C21 H21 Br N2 O4 S -","- C42 H42 Br2 N4 O8 S2 -","2","1","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.0518","0.0396","","","0.086","0.093","","","","","","1.066","","","","has coordinates","243305","2020-10-21","18:00:00",""
"4133549","9.3729","0.0006","11.919","0.0013","15.7115","0.0012","90","","90.581","0.007","90","","1755.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","2","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.1206","0.0821","","","0.1994","0.2303","","","","","","1.049","","","","has coordinates","243306","2020-10-21","18:00:00",""
"4133550","10.4672","0.0006","5.745","0.0003","11.4377","0.0007","90","","110.754","0.007","90","","643.16","0.07","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H13 Br N2 O2 -","- C13 H13 Br N2 O2 -","- C26 H26 Br2 N4 O4 -","2","1","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.08","0.0454","","","0.0861","0.0995","","","","","","1.03","","","","has coordinates","243307","2020-10-21","18:00:00",""
"4133551","10.3489","0.0003","6.3912","0.0003","11.1677","0.0004","90","","94.707","0.003","90","","736.16","0.05","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C28 H30 Br2 N4 O4 -","2","1","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.0825","0.053","","","0.1168","0.1324","","","","","","1.029","","","","has coordinates,has disorder","243308","2020-10-21","18:00:00",""
"4133552","44.655","0.01","44.655","","44.655","","90","","90","","90","","89045","2","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C84 H36 O32 Zr6 -","- C84 H36 O32 Zr6 -","- C1344 H576 O512 Zr96 -","16","0.0833333","","Qin, Jun-Sheng; Yuan, Shuai; Zhang, Lei; Li, Bao; Du, Dong-Ying; Huang, Ning; Guan, Wei; Drake, Hannah F.; Pang, Jiandong; Lan, Ya-Qian; Alsalme, Ali; Zhou, Hong-Cai","Creating Well-Defined Hexabenzocoronene in Zirconium Metal-Organic Framework by Postsynthetic Annulation.","Journal of the American Chemical Society","2019","141","5","2054","2060","10.1021/jacs.8b11042","","x-ray","1.54184","CuKα","","0.1856","0.1625","","","0.4203","0.4359","","","","","","1.744","","","","has coordinates","243309","2020-10-21","18:00:00",""
"4133567","30.418","0.003","31.784","0.003","12.38","0.0012","90","","90","","90","","11969","2","100","2","99.99","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C62.5 H42.5 Cl1.5 N6 O12 -","- C62.5 H42.5 Cl1.5 N6 O12 -","- C500 H340 Cl12 N48 O96 -","8","2","","Mohan Nalluri, Siva Krishna; Zhou, Jiawang; Cheng, Tao; Liu, Zhichang; Nguyen, Minh T.; Chen, Tianyang; Patel, Hasmukh A.; Krzyaniak, Matthew D.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Discrete Dimers of Redox-Active and Fluorescent Perylene Diimide-Based Rigid Isosceles Triangles in the Solid State.","Journal of the American Chemical Society","2019","141","3","1290","1303","10.1021/jacs.8b11201","","","1.54178","CuKα","","0.0654","0.0578","","","0.1663","0.1756","","","","","","1.066","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4133568","30.3071","0.0018","32.069","0.002","12.6054","0.0008","90","","90","","90","","12251.4","1.3","100","2","99.99","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C62 H42 N6 O12 -","- C62 H42 N6 O12 -","- C496 H336 N48 O96 -","8","2","","Mohan Nalluri, Siva Krishna; Zhou, Jiawang; Cheng, Tao; Liu, Zhichang; Nguyen, Minh T.; Chen, Tianyang; Patel, Hasmukh A.; Krzyaniak, Matthew D.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Discrete Dimers of Redox-Active and Fluorescent Perylene Diimide-Based Rigid Isosceles Triangles in the Solid State.","Journal of the American Chemical Society","2019","141","3","1290","1303","10.1021/jacs.8b11201","","","1.54178","CuKα","","0.2166","0.1129","","","0.241","0.3309","","","","","","1.122","","","","has coordinates","243325","2020-10-21","18:00:00",""
"4133569","43.1347","0.0012","14.6175","0.0004","24.2886","0.0006","90","","102.937","0.0016","90","","14925.8","0.7","100","2","99.99","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72.5 H48.5 Cl7.5 N6 O12 -","- C72.5 H48.5 Cl7.5 N6 O12 -","- C580 H388 Cl60 N48 O96 -","8","2","","Mohan Nalluri, Siva Krishna; Zhou, Jiawang; Cheng, Tao; Liu, Zhichang; Nguyen, Minh T.; Chen, Tianyang; Patel, Hasmukh A.; Krzyaniak, Matthew D.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Discrete Dimers of Redox-Active and Fluorescent Perylene Diimide-Based Rigid Isosceles Triangles in the Solid State.","Journal of the American Chemical Society","2019","141","3","1290","1303","10.1021/jacs.8b11201","","","1.54178","CuKα","","0.0878","0.0634","","","0.1585","0.1753","","","","","","0.979","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4133570","30.1044","0.0009","31.9984","0.001","12.4179","0.0004","90","","90","","90","","11962.1","0.6","100","2","99.99","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C131.3 H100.6 Cl1.3 N12 O24 -","- C131.3 H100.6 Cl1.3 N12 O24 -","- C525.2 H402.4 Cl5.2 N48 O96 -","4","1","","Mohan Nalluri, Siva Krishna; Zhou, Jiawang; Cheng, Tao; Liu, Zhichang; Nguyen, Minh T.; Chen, Tianyang; Patel, Hasmukh A.; Krzyaniak, Matthew D.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Discrete Dimers of Redox-Active and Fluorescent Perylene Diimide-Based Rigid Isosceles Triangles in the Solid State.","Journal of the American Chemical Society","2019","141","3","1290","1303","10.1021/jacs.8b11201","","","1.54178","CuKα","","0.0701","0.0611","","","0.1617","0.1685","","","","","","1.014","","","","has coordinates","243327","2020-10-21","18:00:00",""
"4133573","28.293","0.003","12.726","0.0016","33.847","0.004","90","","90","","90","","12187","2","100","2","100.01","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C114 H169 Cl6 N19 Ni4 -","- C114 H169 Cl6 N19 Ni4 -","- C456 H676 Cl24 N76 Ni16 -","4","1","","Sun, Rui; Qin, Yangzhong; Ruccolo, Serge; Schnedermann, Christoph; Costentin, Cyrille; Daniel G Nocera, ?","Elucidation of a Redox-Mediated Reaction Cycle for Nickel-Catalyzed Cross Coupling.","Journal of the American Chemical Society","2019","141","1","89","93","10.1021/jacs.8b11262","","","0.71073","MoKα","","0.0832","0.06","","","0.1334","0.1421","","","","","","1.095","","","","has coordinates,has disorder","243330","2020-10-21","18:00:00",""
"4133586","26.6128","0.0017","10.402","0.0007","21.364","0.0014","90","","94.776","0.004","90","","5893.6","0.7","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 N O8 -","- C35 H31 N O8 -","- C280 H248 N8 O64 -","8","1","","Zhang, Wenhan; Liu, Shufeng; Maiga, Rayelle I.; Pelletier, Jerry; Brown, Lauren E.; Wang, Tony T.; Porco, Jr, John A","Chemical Synthesis Enables Structural Reengineering of Aglaroxin C Leading to Inhibition Bias for Hepatitis C Viral Infection.","Journal of the American Chemical Society","2019","141","3","1312","1323","10.1021/jacs.8b11477","","","1.54178","CuKα","","0.0747","0.0685","","","0.1566","0.1606","","","","","","1.097","","","","has coordinates,has disorder","243341","2020-10-21","18:00:00",""
"4133587","8.1317","0.0002","16.5366","0.0004","13.5858","0.0003","90","","99.897","0.001","90","","1799.7","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 S2 -","- C18 H16 N2 O4 S2 -","- C72 H64 N8 O16 S8 -","4","1","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.0687","0.0569","","","0.1199","0.1276","","","","","","1.075","","","","has coordinates","243342","2020-10-21","18:00:00",""
"4133588","9.5006","0.0006","24.2369","0.0012","10.9473","0.0008","90","","104.554","0.002","90","","2439.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O4 S2 -","- C27 H24 N2 O4 S2 -","- C108 H96 N8 O16 S8 -","4","1","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.0867","0.0641","","","0.1608","0.1821","","","","","","1.122","","","","has coordinates","243343","2020-10-21","18:00:00",""
"4133589","7.159","0.002","12.789","0.004","17.774","0.006","95.896","0.007","98.227","0.007","94.371","0.006","1595.2","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28.5 Br Cl2 N2.5 O4 S2 -","- C30 H28.5 Br Cl2 N2.5 O4 S2 -","- C60 H57 Br2 Cl4 N5 O8 S4 -","2","1","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.1175","0.0701","","","0.1994","0.2271","","","","","","1.037","","","","has coordinates","243344","2020-10-21","18:00:00",""
"4133590","22.96","0.005","11.149","0.002","10.666","0.002","90","","90","","90","","2730.3","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H16 Cl N O -","- C15 H16 Cl N O -","- C120 H128 Cl8 N8 O8 -","8","2","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.0947","0.0693","","","0.1588","0.1798","","","","","","1.096","","","","has coordinates","243345","2020-10-21","18:00:00",""
"4133591","10.112","0.003","24.264","0.007","11.299","0.003","90","","112.743","0.005","90","","2556.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O4 S2 -","- C27 H24 N2 O4 S2 -","- C108 H96 N8 O16 S8 -","4","1","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.0488","0.0393","","","0.1026","0.1077","","","","","","0.965","","","","has coordinates","243346","2020-10-21","18:00:00",""
"4133592","20.66","0.02","10.256","0.012","25.26","0.03","90","","90","","90","","5352","10","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H24 N2 O4 S2 -","- C27 H24 N2 O4 S2 -","- C216 H192 N16 O32 S16 -","8","2","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.1353","0.0942","","","0.2296","0.2934","","","","","","0.908","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4133593","18.1358","0.001","22.5942","0.0013","7.6401","0.0004","90","","98.3549","0.0018","90","","3097.4","0.3","131","2","131","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl2 O2 -","- C18 H14 Cl2 O2 -","- C144 H112 Cl16 O16 -","8","2","","Kreuzahler, Mathis; Daniels, Alyssa; Wölper, Christoph; Haberhauer, Gebhard","1,3-Chlorine Shift to a Vinyl Cation: A Combined Experimental and Theoretical Investigation of the E-Selective Gold(I)-Catalyzed Dimerization of Chloroacetylenes.","Journal of the American Chemical Society","2019","141","3","1337","1348","10.1021/jacs.8b11501","","","1.54178","CuKα","","0.0386","0.0355","","","0.0997","0.1033","","","","","","1.02","","","","has coordinates,has disorder","243348","2020-10-21","18:00:00",""
"4133597","41.66","0.008","23.73","0.005","30.69","0.006","90","","90","","90","","30340","10","100","","100","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C282 H0 Cu24 N10 O150 -","- C282 Cu24 N10 O150 -","- C564 Cu48 N20 O300 -","2","0.25","","Lal, Garima; Derakhshandeh, Maziar; Akhtar, Farid; Spasyuk, Denis M.; Lin, Jian-Bin; Trifkovic, Milana; Shimizu, George K. H.","Mechanical Properties of a Metal-Organic Framework formed by Covalent Cross-Linking of Metal-Organic Polyhedra.","Journal of the American Chemical Society","2019","141","2","1045","1053","10.1021/jacs.8b11527","","","0.7781","synchrotron","","0.1233","0.0942","","","0.2735","0.2899","","","","","","2.115","","","","has coordinates,has disorder","243352","2020-10-21","18:00:00",""
"4133598","8.16835","0.00013","12.1102","0.0002","32.7192","0.0006","90","","91.3026","0.0016","90","","3235.76","0.1","123","","123","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C41 H40 O S -","- C41 H40 O S -","- C164 H160 O4 S4 -","4","2","","Konishi, Akihito; Okada, Yui; Kishi, Ryohei; Nakano, Masayoshi; Yasuda, Makoto","Enhancement of Antiaromatic Character via Additional Benzoannulation into Dibenzo[ a, f]pentalene: Syntheses and Properties of Benzo[ a]naphtho[2,1- f]pentalene and Dinaphtho[2,1- a, f]pentalene.","Journal of the American Chemical Society","2019","141","1","560","571","10.1021/jacs.8b11530","","","1.54187","CuKα","","0.0769","0.0751","","","0.2168","0.219","","","","","","1.047","","","","has coordinates,has disorder","243353","2020-10-21","18:00:00",""
"4133599","9.1358","0.0002","12.4711","0.0003","16.4639","0.0004","104.008","0.0014","92.5124","0.0014","98.3058","0.0014","1794.84","0.07","143","","143","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H40 Cl4 -","- C44 H40 Cl4 -","- C88 H80 Cl8 -","2","1","","Konishi, Akihito; Okada, Yui; Kishi, Ryohei; Nakano, Masayoshi; Yasuda, Makoto","Enhancement of Antiaromatic Character via Additional Benzoannulation into Dibenzo[ a, f]pentalene: Syntheses and Properties of Benzo[ a]naphtho[2,1- f]pentalene and Dinaphtho[2,1- a, f]pentalene.","Journal of the American Chemical Society","2019","141","1","560","571","10.1021/jacs.8b11530","","","1.54187","CuKα","","","0.0821","","","","0.1418","","","","","","1.037","","","","has coordinates","243354","2020-10-21","18:00:00",""
"4133600","8.1411","0.00015","25.1404","0.0005","14.1594","0.0003","90","","90","","90","","2898.01","0.1","123","","123","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C42 H34 -","- C42 H34 -","- C168 H136 -","4","1","","Konishi, Akihito; Okada, Yui; Kishi, Ryohei; Nakano, Masayoshi; Yasuda, Makoto","Enhancement of Antiaromatic Character via Additional Benzoannulation into Dibenzo[ a, f]pentalene: Syntheses and Properties of Benzo[ a]naphtho[2,1- f]pentalene and Dinaphtho[2,1- a, f]pentalene.","Journal of the American Chemical Society","2019","141","1","560","571","10.1021/jacs.8b11530","","","1.54187","CuKα","","0.112","0.0654","","","0.1515","0.2054","","","","","","1.122","","","","has coordinates","243356","2020-10-21","18:00:00",""
"4133602","18.8289","0.0002","15.5259","0.0002","17.5625","0.0002","90","","90","","90","","5134.14","0.1","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C45 H58 Cl2 Ge N4 O Si2 -","- C45 H58 Cl2 Ge N4 O Si2 -","- C180 H232 Cl8 Ge4 N16 O4 Si8 -","4","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.0432","0.0413","","","0.1096","0.1119","","","","","","1.029","","","","has coordinates","243358","2020-10-21","18:00:00",""
"4133603","19.1807","0.0003","27.2268","0.0004","18.064","0.0003","90","","110.913","0.002","90","","8812.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H116 Ge2 N8 O2 Si4 -","- C90 H116 Ge2 N8 O2 Si4 -","- C360 H464 Ge8 N32 O8 Si16 -","4","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.0732","0.0469","","","0.1151","0.1324","","","","","","1.02","","","","has coordinates,has disorder","243358","2020-10-21","18:00:00",""
"4133604","15.8154","0.0008","21.7298","0.001","31.6007","0.0019","90","","90","","90","","10860.1","1","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C49 H68 Al Br3 Ge N4 O2 Si2 -","- C49 H68 Al Br3 Ge N4 O2 Si2 -","- C392 H544 Al8 Br24 Ge8 N32 O16 Si16 -","8","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.114","0.0672","","","0.1597","0.1953","","","","","","1.034","","","","has coordinates","243358","2020-10-21","18:00:00",""
"4133605","11.4436","0.0003","22.3224","0.0006","13.7102","0.0004","90","","102.777","0.003","90","","3415.53","0.17","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C45 H58 Al2 Br6 Ge N4 O Si2 -","- C45 H58 Al2 Br6 Ge N4 O Si2 -","- C90 H116 Al4 Br12 Ge2 N8 O2 Si4 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.12","0.0993","","","0.2472","0.2788","","","","","","1.063","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4133606","27.1176","0.0006","10.0166","0.0002","39.9984","0.0011","90","","107.426","0.003","90","","10366","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H73 B Ge N4 O Si2 -","- C53 H73 B Ge N4 O Si2 -","- C424 H584 B8 Ge8 N32 O8 Si16 -","8","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.045","0.0361","","","0.0859","0.0925","","","","","","1.022","","","","has coordinates","243358","2020-10-21","18:00:00",""
"4133607","15.2538","0.0006","15.9869","0.0006","21.3147","0.0009","82.753","0.003","85.315","0.003","62.81","0.004","4584.8","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H126 Ge2 N8 Ni O3 Si4 -","- C94 H126 Ge2 N8 Ni O3 Si4 -","- C188 H252 Ge4 N16 Ni2 O6 Si8 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.1316","0.1104","","","0.2903","0.304","","","","","","1.115","","","","has coordinates,has disorder","243358","2020-10-21","18:00:00",""
"4133608","9.0383","0.0003","18.6293","0.0006","18.9925","0.0006","112.389","0.003","91.666","0.003","94.184","0.003","2943.35","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H74 B Ge N4 O Si2 -","- C63 H75 B Ge N4 O Si2 -","- C126 H150 B2 Ge2 N8 O2 Si4 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.0567","0.0435","","","0.1132","0.1244","","","","","","1.029","","","","has coordinates","243358","2020-10-21","18:00:00",""
"4133615","100.02","0.02","18.644","0.004","29.23","0.006","90","","90","","90","","54507","2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C270 H240 N105 O87.75 S30 -","- C270.5 H240 N105 O87.25 S30 -","- C1082 H960 N420 O349 S120 -","4","1","","Liu, Bin; Pappas, Charalampos G.; Zangrando, Ennio; Demitri, Nicola; Chmielewski, Piotr J.; Otto, Sijbren","Complex Molecules That Fold Like Proteins Can Emerge Spontaneously.","Journal of the American Chemical Society","2019","141","4","1685","1689","10.1021/jacs.8b11698","","","0.7","synchrotron","","0.1605","0.1336","","","0.3475","0.3744","","","","","","1.253","","","","has coordinates,has disorder","243363","2020-10-21","18:00:00",""
"4133616","8.2078","0.0002","9.4326","0.0002","16.1782","0.0004","102.743","0.002","104.147","0.002","97.677","0.002","1161.12","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H31 N O3 -","- C31 H31 N O3 -","- C62 H62 N2 O6 -","2","1","","Alachouzos, Georgios; Frontier, Alison J.","Cationic Cascade for Building Complex Polycyclic Molecules from Simple Precursors: Diastereoselective Installation of Three Contiguous Stereogenic Centers in a One-Pot Process.","Journal of the American Chemical Society","2019","141","1","118","122","10.1021/jacs.8b11713","","x-ray","1.54184","CuKα","","0.0564","0.05","","","0.1322","0.1374","","","","","","1.077","","","","has coordinates","243364","2020-10-21","18:00:00",""
"4133617","22.0755","0.0004","22.0755","0.0004","10.0326","0.0002","90","","90","","120","","4234.14","0.14","100","","100","","","","","","","","","6","P 6","P 6","168","","","","- C25 H20 Cl3 F3 N2 O4 -","- C25 H20 Cl3 F3 N2 O4 -","- C150 H120 Cl18 F18 N12 O24 -","6","1","","Lin, Jin-Shun; Li, Tao-Tao; Liu, Ji-Ren; Jiao, Guan-Yuan; Gu, Qiang-Shuai; Cheng, Jiang-Tao; Guo, Yu-Long; Hong, Xin; Liu, Xin-Yuan","Cu/Chiral Phosphoric Acid-Catalyzed Asymmetric Three-Component Radical-Initiated 1,2-Dicarbofunctionalization of Alkenes.","Journal of the American Chemical Society","2019","141","2","1074","1083","10.1021/jacs.8b11736","","x-ray","1.54178","CuKα","","0.0863","0.081","","","0.2259","0.2342","","","","","","1.054","","","","has coordinates,has disorder","243365","2020-10-21","18:00:00",""
"4133618","14.55","0.0003","24.8696","0.0005","25.0479","0.0005","90","","90","","90","","9063.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H50 Cl6 N6 O2 -","- C45 H50 Cl6 N6 O2 -","- C360 H400 Cl48 N48 O16 -","8","2","","Yousefi, Roozbeh; Struble, Thomas J.; Payne, Jenna L.; Vishe, Mahesh; Schley, Nathan D.; Johnston, Jeffrey N.","Catalytic, Enantioselective Synthesis of Cyclic Carbamates from Dialkyl Amines by CO<sub>2</sub>-Capture: Discovery, Development, and Mechanism.","Journal of the American Chemical Society","2019","141","1","618","625","10.1021/jacs.8b11793","","x-ray","1.54184","CuKα","","0.0969","0.0908","","","0.248","0.257","","","","","","1.066","","","","has coordinates","243366","2020-10-21","18:00:00",""
"4133619","7.8606","0.0004","9.1352","0.0004","25.0134","0.0012","90","","90","","90","","1796.17","0.15","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 F3 I N O2 -","- C19 H17 F3 I N O2 -","- C76 H68 F12 I4 N4 O8 -","4","1","","Yousefi, Roozbeh; Struble, Thomas J.; Payne, Jenna L.; Vishe, Mahesh; Schley, Nathan D.; Johnston, Jeffrey N.","Catalytic, Enantioselective Synthesis of Cyclic Carbamates from Dialkyl Amines by CO<sub>2</sub>-Capture: Discovery, Development, and Mechanism.","Journal of the American Chemical Society","2019","141","1","618","625","10.1021/jacs.8b11793","","","0.71073","MoKα","","0.0171","0.017","","","0.0467","0.0468","","","","","","1.19","","","","has coordinates","243367","2020-10-21","18:00:00",""
"4133620","10.666","0.0018","12.0616","0.0019","15.045","0.003","92.005","0.005","110.621","0.005","115.023","0.005","1602.4","0.5","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H45 Cl N2 O -","- C36 H45 Cl N2 O -","- C72 H90 Cl2 N4 O2 -","2","1","","Regnier, Vianney; Romero, Erik A.; Molton, Florian; Jazzar, Rodolphe; Bertrand, Guy; Martin, David","What Are the Radical Intermediates in Oxidative N-Heterocyclic Carbene Organocatalysis?","Journal of the American Chemical Society","2019","141","2","1109","1117","10.1021/jacs.8b11824","","x-ray","1.54178","CuKα","","0.0378","0.0362","","","0.0972","0.0987","","","","","","1.053","","","","has coordinates","243368","2020-10-21","18:00:00",""
"4133621","13.0915","0.0005","16.6801","0.0006","17.3486","0.0007","90","","101.572","0.002","90","","3711.4","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H43 Cl4 N O -","- C32 H43 Cl4 N O -","- C128 H172 Cl16 N4 O4 -","4","1","","Regnier, Vianney; Romero, Erik A.; Molton, Florian; Jazzar, Rodolphe; Bertrand, Guy; Martin, David","What Are the Radical Intermediates in Oxidative N-Heterocyclic Carbene Organocatalysis?","Journal of the American Chemical Society","2019","141","2","1109","1117","10.1021/jacs.8b11824","","x-ray","1.54178","CuKα","","0.062","0.0515","","","0.1366","0.1451","","","","","","1.056","","","","has coordinates","243368","2020-10-21","18:00:00",""
"4133622","16.9668","0.0011","16.6522","0.0012","25.8421","0.0019","90","","90","","90","","7301.3","0.9","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H47 Cl4 N O -","- C38 H47 Cl4 N O -","- C304 H376 Cl32 N8 O8 -","8","2","","Regnier, Vianney; Romero, Erik A.; Molton, Florian; Jazzar, Rodolphe; Bertrand, Guy; Martin, David","What Are the Radical Intermediates in Oxidative N-Heterocyclic Carbene Organocatalysis?","Journal of the American Chemical Society","2019","141","2","1109","1117","10.1021/jacs.8b11824","","x-ray","0.71073","MoKα","","0.0469","0.0361","","","0.0699","0.0749","","","","","","1.026","","","","has coordinates,has disorder","243368","2020-10-21","18:00:00",""
"4133623","29.5873","0.0011","9.0822","0.0004","23.4041","0.0008","90","","103.805","0.002","90","","6107.4","0.4","100.15","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H46 N O -","- C37 H46 N O -","- C296 H368 N8 O8 -","8","1","","Regnier, Vianney; Romero, Erik A.; Molton, Florian; Jazzar, Rodolphe; Bertrand, Guy; Martin, David","What Are the Radical Intermediates in Oxidative N-Heterocyclic Carbene Organocatalysis?","Journal of the American Chemical Society","2019","141","2","1109","1117","10.1021/jacs.8b11824","","x-ray","1.54178","CuKα","","0.0452","0.0426","","","0.1091","0.1113","","","","","","1.059","","","","has coordinates","243368","2020-10-21","18:00:00",""
"4133624","36.1038","0.0006","9.0432","0.0002","26.0806","0.0005","90","","92.463","0.002","90","","8507.3","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H55 N4 O Si2 -","- C45 H55 N4 O Si2 -","- C360 H440 N32 O8 Si16 -","8","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0808","0.0525","","","0.1255","0.1463","","","","","","0.992","","","","has coordinates","243369","2020-10-21","18:00:00",""
"4133625","15.6523","0.0002","17.3543","0.0003","18.3413","0.0002","90","","90","","90","","4982.13","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H68 N4 O4 Si2 -","- C51 H68 N4 O4 Si2 -","- C204 H272 N16 O16 Si8 -","4","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0606","0.0479","","","0.1167","0.1277","","","","","","1.029","","","","has coordinates,has disorder","243369","2020-10-21","18:00:00",""
"4133626","16.8653","0.0009","24.8239","0.0009","9.3582","0.0004","90","","90","","90","","3917.9","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C42 H54 Fe N4 O2 Si2 -","- C42 H54 Fe N4 O2 Si2 -","- C168 H216 Fe4 N16 O8 Si8 -","4","0.5","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0766","0.0455","","","0.0955","0.1126","","","","","","1.018","","","","has coordinates","243369","2020-10-21","18:00:00",""
"4133627","16.8495","0.0004","13.9048","0.0003","22.1044","0.0005","90","","106.452","0.003","90","","4966.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H67 N5 O Si2 -","- C54 H67 N5 O Si2 -","- C216 H268 N20 O4 Si8 -","4","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0906","0.0515","","","0.1142","0.1381","","","","","","1.009","","","","has coordinates,has disorder","243369","2020-10-21","18:00:00",""
"4133628","12.8721","0.0006","13.2729","0.0007","20.801","0.0009","102.478","0.004","90.872","0.004","116.307","0.005","3085.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H90 N6 O Si2 -","- C69 H90 N6 O Si2 -","- C138 H180 N12 O2 Si4 -","2","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.1502","0.0887","","","0.2135","0.2769","","","","","","0.986","","","","has coordinates","243369","2020-10-21","18:00:00",""
"4133629","11.3993","0.0004","12.6636","0.0005","21.9289","0.0007","80.018","0.003","83.9","0.003","63.968","0.004","2799.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H76 N6 O Si2 -","- C63 H76 N6 O Si2 -","- C126 H152 N12 O2 Si4 -","2","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0588","0.0444","","","0.1147","0.1275","","","","","","1.015","","","","has coordinates,has disorder","243369","2020-10-21","18:00:00",""
"4133630","16.9921","0.0003","21.7092","0.0004","27.5293","0.0004","90","","90","","90","","10155.1","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H67 N5 O2 Si2 -","- C55 H67 N5 O2 Si2 -","- C440 H536 N40 O16 Si16 -","8","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0762","0.0517","","","0.1349","0.152","","","","","","1.024","","","","has coordinates,has disorder","243369","2020-10-21","18:00:00",""
"4133634","28.286","0.006","13.537","0.003","16.108","0.003","90","","116.85","0.03","90","","5503","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H18 Cl4 N12 O12 -","- C44 H18 Cl4 N12 O12 -","- C176 H72 Cl16 N48 O48 -","4","0.5","","Tuo, De-Hui; Liu, Wei; Wang, Xue-Yuan; Wang, Xu-Dong; Ao, Yu-Fei; Wang, Qi-Qiang; Li, Zhi-Yan; Wang, De-Xian","Toward Anion-π Interactions Directed Self-Assembly with Predesigned Dual Macrocyclic Receptors and Dianions.","Journal of the American Chemical Society","2019","141","2","1118","1125","10.1021/jacs.8b12018","","","0.71073","MoKα","","0.2087","0.1367","","","0.3444","0.3746","","","","","","1.701","","","","has coordinates","243373","2020-10-21","18:00:00",""
"4133635","16.2491","0.0006","13.0217","0.0005","26.5922","0.0011","90","","96.52","0.003","90","","5590.3","0.4","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C48 H20 Cl4 N12 O12 -","- C48 H20 Cl4 N12 O12 -","- C192 H80 Cl16 N48 O48 -","4","1","","Tuo, De-Hui; Liu, Wei; Wang, Xue-Yuan; Wang, Xu-Dong; Ao, Yu-Fei; Wang, Qi-Qiang; Li, Zhi-Yan; Wang, De-Xian","Toward Anion-π Interactions Directed Self-Assembly with Predesigned Dual Macrocyclic Receptors and Dianions.","Journal of the American Chemical Society","2019","141","2","1118","1125","10.1021/jacs.8b12018","","","0.71073","MoKα","","0.1493","0.0701","","","0.137","0.1634","","","","","","1.006","","","","has coordinates","243374","2020-10-21","18:00:00",""
"4133636","18.522","0.005","18.643","0.004","19.169","0.005","87.147","0.011","78.044","0.006","85.787","0.01","6454","3","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C118 H130 Cl4 N18 O32 S2 -","- C118 H130 Cl4 N18 O32 S2 -","- C236 H260 Cl8 N36 O64 S4 -","2","1","","Tuo, De-Hui; Liu, Wei; Wang, Xue-Yuan; Wang, Xu-Dong; Ao, Yu-Fei; Wang, Qi-Qiang; Li, Zhi-Yan; Wang, De-Xian","Toward Anion-π Interactions Directed Self-Assembly with Predesigned Dual Macrocyclic Receptors and Dianions.","Journal of the American Chemical Society","2019","141","2","1118","1125","10.1021/jacs.8b12018","","","0.71073","MoKα","","0.1983","0.1692","","","0.4114","0.4344","","","","","","1.211","","","","has coordinates","243375","2020-10-21","18:00:00",""
"4133637","10.035","0.003","21.931","0.007","17.509","0.006","90","","94.079","0.005","90","","3844","2","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H26 Cl22 N12 O12 -","- C54 H26 Cl22 N12 O12 -","- C108 H52 Cl44 N24 O24 -","2","0.5","","Tuo, De-Hui; Liu, Wei; Wang, Xue-Yuan; Wang, Xu-Dong; Ao, Yu-Fei; Wang, Qi-Qiang; Li, Zhi-Yan; Wang, De-Xian","Toward Anion-π Interactions Directed Self-Assembly with Predesigned Dual Macrocyclic Receptors and Dianions.","Journal of the American Chemical Society","2019","141","2","1118","1125","10.1021/jacs.8b12018","","","0.71073","MoKα","","0.1157","0.1023","","","0.2567","0.2666","","","","","","1.151","","","","has coordinates,has disorder","243376","2020-10-21","18:00:00",""
"4133638","12.036","0.005","12.274","0.006","13.289","0.005","82.49","0.03","67.68","0.03","67.96","0.02","1683.2","1.3","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H54 Cl4 N18 O16 -","- C64 H54 Cl4 N18 O16 -","- C64 H54 Cl4 N18 O16 -","1","0.5","","Tuo, De-Hui; Liu, Wei; Wang, Xue-Yuan; Wang, Xu-Dong; Ao, Yu-Fei; Wang, Qi-Qiang; Li, Zhi-Yan; Wang, De-Xian","Toward Anion-π Interactions Directed Self-Assembly with Predesigned Dual Macrocyclic Receptors and Dianions.","Journal of the American Chemical Society","2019","141","2","1118","1125","10.1021/jacs.8b12018","","","0.71073","MoKα","","0.1525","0.1334","","","0.3218","0.3341","","","","","","1.774","","","","has coordinates","243377","2020-10-21","18:00:00",""
"4133639","10.3674","0.0015","10.4431","0.0015","10.6187","0.0015","85.78","0.004","85.901","0.004","63.71","0.004","1027","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 N4 O Si -","- C21 H28 N4 O Si -","- C42 H56 N8 O2 Si2 -","2","1","","Gu, Yiting; Shen, Yangyang; Zarate, Cayetana; Martin, Ruben","A Mild and Direct Site-Selective sp<sup>2</sup> C-H Silylation of (Poly)Azines.","Journal of the American Chemical Society","2019","141","1","127","132","10.1021/jacs.8b12063","","","0.71073","MoKα","","0.066","0.0447","","","0.104","0.114","","","","","","1.03","","","","has coordinates","243378","2020-10-21","18:00:00",""
"4133640","7.1983","0.0007","11.583","0.0012","17.2442","0.0018","101.815","0.003","94.813","0.003","99.388","0.003","1378.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H45 N5 O2 Si -","- C27 H45 N5 O2 Si -","- C54 H90 N10 O4 Si2 -","2","1","","Gu, Yiting; Shen, Yangyang; Zarate, Cayetana; Martin, Ruben","A Mild and Direct Site-Selective sp<sup>2</sup> C-H Silylation of (Poly)Azines.","Journal of the American Chemical Society","2019","141","1","127","132","10.1021/jacs.8b12063","","","0.71073","MoKα","","0.0874","0.064","","","0.1654","0.1852","","","","","","1.035","","","","has coordinates","243379","2020-10-21","18:00:00",""
"4133641","6.2545","0.0002","13.5393","0.0003","19.2401","0.0005","90","","90","","90","","1629.28","0.08","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Wei, Yi; Liu, Song; Li, Miao-Miao; Li, Yi; Lan, Yu; Lu, Liang-Qiu; Xiao, Wen-Jing","Enantioselective Trapping of Pd-Containing 1,5-Dipoles by Photogenerated Ketenes: Access to 7-Membered Lactones Bearing Chiral Quaternary Stereocenters.","Journal of the American Chemical Society","2019","141","1","133","137","10.1021/jacs.8b12095","","","1.54178","CuKα","","0.0324","0.0314","","","0.0821","0.0829","","","","","","1.048","","","","has coordinates","243380","2020-10-21","18:00:00",""
"4133642","10.4462","0.0005","16.5828","0.0008","12.4288","0.0006","90","","105.487","0.002","90","","2074.83","0.17","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Br N3 O7 -","- C20 H22 Br N3 O7 -","- C80 H88 Br4 N12 O28 -","4","1","","Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David","Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene.","Journal of the American Chemical Society","2019","141","1","657","670","10.1021/jacs.8b12123","","x-ray","0.71073","MoKα","","0.0277","0.0253","","","0.0642","0.0655","","","","","","1.031","","","","has coordinates","243381","2020-10-21","18:00:00",""
"4133643","8.6131","0.0002","13.0876","0.0004","16.5039","0.0005","90","","97.683","0.001","90","","1843.7","0.09","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","halohydrin","","- C17 H17 Br2 N3 O5 -","- C17 H17 Br2 N3 O5 -","- C68 H68 Br8 N12 O20 -","4","1","","Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David","Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene.","Journal of the American Chemical Society","2019","141","1","657","670","10.1021/jacs.8b12123","","x-ray","0.71073","MoKα","","0.024","0.0203","","","0.0491","0.0503","","","","","","1.029","","","","has coordinates","243382","2020-10-21","18:00:00",""
"4133644","36.4159","0.0009","36.4159","0.0009","6.6637","0.0002","90","","90","","120","","7652.9","0.4","","","100.03","","","","","","","","","4","R 3 :H","R 3","146","","diol","","- C17 H19 N3 O6 -","- C17 H19 N3 O6 -","- C306 H342 N54 O108 -","18","2","","Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David","Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene.","Journal of the American Chemical Society","2019","141","1","657","670","10.1021/jacs.8b12123","","x-ray","1.54178","CuKα","","0.0265","0.0261","","","0.0668","0.0672","","","","","","1.077","","","","has coordinates","243383","2020-10-21","18:00:00",""
"4133645","7.2381","0.0003","9.3207","0.0004","11.0024","0.0004","67.514","0.001","89.888","0.001","75.525","0.001","660.42","0.05","100","2","100.01","","","","","","","","","4","P 1","P 1","1","","(+)-lycoricidine","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C28 H30 N2 O14 -","2","2","","Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David","Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene.","Journal of the American Chemical Society","2019","141","1","657","670","10.1021/jacs.8b12123","","x-ray","1.54178","CuKα","","0.0306","0.0304","","","0.0778","0.078","","","","","","1.072","","","","has coordinates","243384","2020-10-21","18:00:00",""
"4133646","10.84","0.0002","20.374","0.0004","14.4408","0.0003","90","","92.411","0.001","90","","3186.49","0.11","170","2","170.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H49 I N4 Yb -","- C31 H49 I N4 Yb -","- C124 H196 I4 N16 Yb4 -","4","1","","Liu, Xiaojuan; Xiang, Li; Louyriac, Elisa; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Divalent Ytterbium Complex-Catalyzed Homo- and Cross-Coupling of Primary Arylsilanes.","Journal of the American Chemical Society","2019","141","1","138","142","10.1021/jacs.8b12138","","","1.34139","GaKα","","0.0313","0.0275","","","0.0705","0.0725","","","","","","1.044","","","","has coordinates,has disorder","243385","2020-10-21","18:00:00",""
"4133647","14.361","0.003","20.959","0.004","21.535","0.004","90","","90","","90","","6482","2","296","2","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H52 N4 Si Yb -","- C28 H52 N4 Si Yb -","- C224 H416 N32 Si8 Yb8 -","8","1","","Liu, Xiaojuan; Xiang, Li; Louyriac, Elisa; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Divalent Ytterbium Complex-Catalyzed Homo- and Cross-Coupling of Primary Arylsilanes.","Journal of the American Chemical Society","2019","141","1","138","142","10.1021/jacs.8b12138","","","0.71073","MoKα","","0.0992","0.0375","","","0.0654","0.0832","","","","","","0.982","","","","has coordinates","243385","2020-10-21","18:00:00",""
"4133648","10.8609","0.0004","11.002","0.0004","18.3602","0.0006","77.331","0.002","83.437","0.002","60.677","0.002","1866.16","0.12","182","2","182.62","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H63 N4 Si2 Yb -","- C32 H63 N4 Si2 Yb -","- C64 H126 N8 Si4 Yb2 -","2","1","","Liu, Xiaojuan; Xiang, Li; Louyriac, Elisa; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Divalent Ytterbium Complex-Catalyzed Homo- and Cross-Coupling of Primary Arylsilanes.","Journal of the American Chemical Society","2019","141","1","138","142","10.1021/jacs.8b12138","","","1.34139","GaKα","","0.0314","0.0291","","","0.0759","0.0773","","","","","","1.077","","","","has coordinates","243385","2020-10-21","18:00:00",""
"4133649","7.1967","0.0003","19.2597","0.0004","10.445","0.0004","90","","105.491","0.005","90","","1395.15","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H18 Br Cl N2 O -","- C13 H18 Br Cl N2 O -","- C52 H72 Br4 Cl4 N8 O4 -","4","2","","Kim, Seung Wook; Schwartz, Leyah A.; Zbieg, Jason R.; Stivala, Craig E.; Krische, Michael J.","Regio- and Enantioselective Iridium-Catalyzed Amination of Racemic Branched Alkyl-Substituted Allylic Acetates with Primary and Secondary Aromatic and Heteroaromatic Amines.","Journal of the American Chemical Society","2019","141","1","671","676","10.1021/jacs.8b12152","","","1.54184","CuKα","","0.0365","0.0359","","","0.0941","0.0948","","","","","","1.065","","","","has coordinates","243386","2020-10-21","18:00:00",""
"4133651","9.6137","0.0004","12.478","0.0006","13.2623","0.0006","73.366","0.002","85.413","0.002","84.457","0.002","1514.95","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H47 N2 Re -","- C34 H47 N2 Re -","- C68 H94 N4 Re2 -","2","1","","Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John","Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.","Journal of the American Chemical Society","2019","141","2","800","804","10.1021/jacs.8b12494","","","0.7288","synchrotron","","0.0234","0.0223","","","0.0558","0.0563","","","","","","1.095","","","","has coordinates","243388","2020-10-21","18:00:00",""
"4133652","12.5845","0.0006","18.1223","0.0007","13.8772","0.0006","90","","106.396","0.002","90","","3036.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Re(Cp)(BDI)","","","- C34 H46 N2 Re -","- C34 H46 N2 Re -","- C136 H184 N8 Re4 -","4","1","","Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John","Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.","Journal of the American Chemical Society","2019","141","2","800","804","10.1021/jacs.8b12494","","","0.71073","MoKα","","0.0476","0.0336","","","0.0693","0.0734","","","","","","1.058","","","","has coordinates","243389","2020-10-21","18:00:00",""
"4133653","12.1625","0.0003","21.0519","0.0007","12.4534","0.0004","90","","90","","90","","3188.62","0.17","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H46 N2 Na Re -","- C34 H46 N2 Na Re -","- C136 H184 N8 Na4 Re4 -","4","0.5","","Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John","Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.","Journal of the American Chemical Society","2019","141","2","800","804","10.1021/jacs.8b12494","","x-ray","0.71073","MoKα","","0.0437","0.0371","","","0.0863","0.0895","","","","","","1.032","","","","has coordinates","243390","2020-10-21","18:00:00",""
"4133654","11.979","0.0003","12.3925","0.0003","13.8937","0.0003","97.317","0.001","109.657","0.001","94.52","0.001","1910.09","0.08","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H102 F6 N4 O7 Re2 S2 Zn2 -","- C74 H102 F6 N4 O7 Re2 S2 Zn2 -","- C74 H102 F6 N4 O7 Re2 S2 Zn2 -","1","0.5","","Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John","Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.","Journal of the American Chemical Society","2019","141","2","800","804","10.1021/jacs.8b12494","","","0.71073","MoKα","","0.0226","0.0198","","","0.0411","0.0419","","","","","","1.029","","","","has coordinates,has disorder","243391","2020-10-21","18:00:00",""
"4133655","12.6151","0.0002","12.744","0.0002","22.8461","0.0004","88.556","0.001","77.634","0.001","73.542","0.001","3438.22","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H106 N4 Re2 Zn2 -","- C68 H92 N4 Re2 Zn2 -","- C136 H184 N8 Re4 Zn4 -","2","1","","Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John","Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.","Journal of the American Chemical Society","2019","141","2","800","804","10.1021/jacs.8b12494","","","0.71073","MoKα","","0.0286","0.0218","","","0.0462","0.0486","","","","","","0.995","","","","has coordinates,has disorder","243392","2020-10-21","18:00:00",""
"4133656","6.5896","0.0003","9.7473","0.0005","12.2249","0.0008","68.974","0.006","75.048","0.005","71.536","0.005","685.9","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C32 H26 Cl2 O4 -","2","2","","Liu, Yidong; Liu, Song; Li, Dongmei; Zhang, Nan; Peng, Lei; Ao, Jun; Song, Choong Eui; Lan, Yu; Yan, Hailong","Kinetic Resolution of Allylic Alcohol with Chiral BINOL-Based Alkoxides: A Combination of Experimental and Theoretical Studies.","Journal of the American Chemical Society","2019","141","2","1150","1159","10.1021/jacs.8b12796","","","0.71073","MoKα","","0.0563","0.0429","","","0.0955","0.1072","","","","","","1.044","","","","has coordinates","243393","2020-10-21","18:00:00",""
"4133657","19.5192","0.0004","19.5192","0.0004","8.5136","0.0002","90","","90","","120","","2809.1","0.1","100","2","100","","","","","","","","","4","P 65","P 65","170","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C120 H156 N12 O12 -","6","1","","He, Chi; Stratton, Thomas P.; Baran, Phil S.","Concise Total Synthesis of Herqulines B and C.","Journal of the American Chemical Society","2019","141","1","29","32","10.1021/jacs.8b13029","","x-ray","1.54178","CuKα","","0.0283","0.0272","","","0.0716","0.0726","","","","","","1.036","","","","has coordinates","243394","2020-10-21","18:00:00",""
"4133658","8.048","0.0003","8.858","0.0004","10.9924","0.0005","69.1109","0.0016","76.8504","0.0017","68.754","0.0016","678.01","0.05","100","2","99.99","","","","","","","","","4","P -1","-P 1","2","","benzene_MTAD_iPrNH2","","- C12 H20 N4 O3 -","- C12 H20 N4 O3 -","- C24 H40 N8 O6 -","2","1","","Wertjes, William C.; Okumura, Mikiko; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Diamination.","Journal of the American Chemical Society","2019","141","1","163","167","10.1021/jacs.8b13030","","x-ray","0.71073","MoKα","","0.0584","0.0472","","","0.094","0.098","","","","","","1.107","","","","has coordinates","243395","2020-10-21","18:00:00",""
"4133659","22.4136","0.001","6.0223","0.0003","19.9058","0.0008","90","","94.244","0.002","90","","2679.5","0.2","100","2","99.95","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N4 O3 -","- C13 H18 N4 O3 -","- C104 H144 N32 O24 -","8","1","","Wertjes, William C.; Okumura, Mikiko; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Diamination.","Journal of the American Chemical Society","2019","141","1","163","167","10.1021/jacs.8b13030","","x-ray","0.71073","MoKα","","0.0402","0.0376","","","0.0947","0.0969","","","","","","1.05","","","","has coordinates","243396","2020-10-21","18:00:00",""
"4133660","9.8206","0.0004","11.1581","0.0005","15.3236","0.0007","101.924","0.001","100.739","0.001","100.154","0.001","1573.33","0.12","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","naphthalene_nPrNH2_MTAD","","- C16 H21.31 N4 O2.66 -","- C16 H21.314 N4 O2.657 -","- C64 H85.256 N16 O10.628 -","4","2","","Wertjes, William C.; Okumura, Mikiko; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Diamination.","Journal of the American Chemical Society","2019","141","1","163","167","10.1021/jacs.8b13030","","x-ray","0.71073","MoKα","","0.0799","0.0551","","","0.1248","0.1376","","","","","","1.029","","","","has coordinates,has disorder","243397","2020-10-21","18:00:00",""
"4133661","9.5948","0.0002","12.3669","0.0003","16.3965","0.0004","99.972","0.001","104.315","0.001","91.519","0.001","1851.78","0.08","100","2","100.03","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N4 O2 -","- C21 H22 N4 O2 -","- C84 H88 N16 O8 -","4","2","","Wertjes, William C.; Okumura, Mikiko; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Diamination.","Journal of the American Chemical Society","2019","141","1","163","167","10.1021/jacs.8b13030","","x-ray","1.54178","CuKα","","0.0449","0.0365","","","0.0805","0.0851","","","","","","1.068","","","","has coordinates","243398","2020-10-21","18:00:00",""
"4133662","19.9464","0.0011","19.9464","0.0011","9.529","0.0009","90","","90","","120","","3283.3","0.4","100","2","100","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C24 H20 Cd N4 O8 -","- C24 H12 Cd N4 O8 -","- C72 H36 Cd3 N12 O24 -","3","0.25","","Qu, Liyuan; Iguchi, Hiroaki; Takaishi, Shinya; Habib, Faiza; Leong, Chanel F.; D'Alessandro, Deanna M; Yoshida, Takefumi; Abe, Hitoshi; Nishibori, Eiji; Yamashita, Masahiro","Porous Molecular Conductor: Electrochemical Fabrication of Through-Space Conduction Pathways among Linear Coordination Polymers.","Journal of the American Chemical Society","2019","141","17","6802","6806","10.1021/jacs.9b01717","","","0.71073","MoKα","","0.1524","0.0839","","","0.2276","0.2609","","","","","","1.092","","","","has coordinates,has disorder","243399","2020-10-21","18:00:00",""
"4133663","10.944","0.0016","11.5746","0.0017","22.46","0.003","90.349","0.006","92.11","0.005","91.978","0.006","2841.4","0.7","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C29 H18 Cd N O6 -","- C58 H36 Cd2 N2 O12 -","- C116 H72 Cd4 N4 O24 -","2","1","","Mayer, David C.; Manzi, Aurora; Medishetty, Raghavender; Winkler, Benedikt; Schneider, Christian; Kieslich, Gregor; Pöthig, Alexander; Feldmann, Jochen; Fischer, Roland A.","Controlling Multiphoton Absorption Efficiency by Chromophore Packing in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","29","11594","11602","10.1021/jacs.9b04213","","x-ray","0.71073","MoKα","","0.2319","0.1951","","","0.4551","0.4754","","","","","","1.093","","","","has coordinates,has disorder","243400","2020-10-21","18:00:00",""
"4133664","21.714","0.002","10.0036","0.001","15.182","0.0016","90","","99.158","0.003","90","","3255.8","0.6","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H72 N6 O12 Zn2 -","- C66 H54 N4 O10 Zn2 -","- C132 H108 N8 O20 Zn4 -","2","0.5","","Mayer, David C.; Manzi, Aurora; Medishetty, Raghavender; Winkler, Benedikt; Schneider, Christian; Kieslich, Gregor; Pöthig, Alexander; Feldmann, Jochen; Fischer, Roland A.","Controlling Multiphoton Absorption Efficiency by Chromophore Packing in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","29","11594","11602","10.1021/jacs.9b04213","","x-ray","0.71073","MoKα","","0.0392","0.03","","","0.0721","0.0768","","","","","","1.058","","","","has coordinates","243401","2020-10-21","18:00:00",""
"4133665","11.072","0.01","11.414","0.012","22.31","0.02","91.12","0.04","92.52","0.07","93.32","0.04","2811","5","293","","293","","","","","","","","see text","5","P -1","-P 1","2","","","","- C61 H44 Cd2 N3 O11 -","- C58 H36 Cd2 N2 O9 -","- C116 H72 Cd4 N4 O18 -","2","1","","Mayer, David C.; Manzi, Aurora; Medishetty, Raghavender; Winkler, Benedikt; Schneider, Christian; Kieslich, Gregor; Pöthig, Alexander; Feldmann, Jochen; Fischer, Roland A.","Controlling Multiphoton Absorption Efficiency by Chromophore Packing in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","29","11594","11602","10.1021/jacs.9b04213","","x-ray","0.71073","MoKα","","0.2","0.0955","","","0.2664","0.3305","","","","","","0.971","","","","has coordinates,has disorder","243402","2020-10-21","18:00:00",""
"4133666","10.0386","0.0007","16.5446","0.0011","17.6418","0.001","100.011","0.002","104.223","0.002","90.103","0.002","2793.9","0.3","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C70 H66.5 Cl1.5 N2 O8 -","- C62 H48 N2 O8 -","- C124 H96 N4 O16 -","2","1","","Mayer, David C.; Manzi, Aurora; Medishetty, Raghavender; Winkler, Benedikt; Schneider, Christian; Kieslich, Gregor; Pöthig, Alexander; Feldmann, Jochen; Fischer, Roland A.","Controlling Multiphoton Absorption Efficiency by Chromophore Packing in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","29","11594","11602","10.1021/jacs.9b04213","","x-ray","0.71073","MoKα","","0.0668","0.0497","","","0.1214","0.1323","","","","","","1.018","","","","has coordinates","243403","2020-10-21","18:00:00",""
"4133667","11.987","0.003","39.23","0.008","47.618","0.011","90","","90","","90","","22392","9","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C14 H8 N0 O8 Zn2 -","- C14 H8 O8 Zn2 -","- C448 H256 O256 Zn64 -","32","1","","Yang, Huajun; Peng, Fang; Dang, Candy; Wang, Yong; Hu, Dandan; Zhao, Xiang; Feng, Pingyun; Bu, Xianhui","Ligand Charge Separation To Build Highly Stable Quasi-Isomer of MOF-74-Zn.","Journal of the American Chemical Society","2019","141","25","9808","9812","10.1021/jacs.9b04432","","","0.71073","MoKα","","0.1059","0.0695","","","0.2016","0.2291","","","","","","1.115","","","","has coordinates","243404","2020-10-21","18:00:00",""
"4133668","22.026","0.004","22.026","0.004","12.068","0.002","90","0.03","90","0.03","120","0.03","5070","2","296","2","296","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C8 H4 N0 O7.75 Zn2 -","- C8 H4 O7.75 Zn2 -","- C96 H48 O93 Zn24 -","12","1","","Yang, Huajun; Peng, Fang; Dang, Candy; Wang, Yong; Hu, Dandan; Zhao, Xiang; Feng, Pingyun; Bu, Xianhui","Ligand Charge Separation To Build Highly Stable Quasi-Isomer of MOF-74-Zn.","Journal of the American Chemical Society","2019","141","25","9808","9812","10.1021/jacs.9b04432","","","0.71073","MoKα","","0.044","0.0396","","","0.1329","0.1358","","","","","","1.233","","","","has coordinates","243405","2020-10-21","18:00:00",""
"4133669","20.15","","20.15","","8.85","","90","","90","","90","","3593.3","","298","","298","","","","","","","","","3","I 41/a :2","-I 4ad","88","","COF-300-V_RT","","- C41 H28 N4 -","- C41 H28 N4 -","- C164 H112 N16 -","4","0.25","","Sun, Tu; Wei, Lei; Chen, Yichong; Ma, Yanhang; Zhang, Yue-Biao","Atomic-Level Characterization of Dynamics of a 3D Covalent Organic Framework by Cryo-Electron Diffraction Tomography.","Journal of the American Chemical Society","2019","141","28","10962","10966","10.1021/jacs.9b04895","","","0.0251","","","0.2952","0.2801","","","0.5713","0.5808","","","","","","1.08","","","","has coordinates","243406","2020-10-21","18:00:00",""
"4133670","27.3","","27.3","","7.7","","90","","90","","90","","5738.73","","77","","77","","","","","","","","","3","I 41/a :2","-I 4ad","88","","COF-300-PMMA_cryo","","- C41 H28 N4 -","- C41 H28 N4 -","- C164 H112 N16 -","4","0.25","","Sun, Tu; Wei, Lei; Chen, Yichong; Ma, Yanhang; Zhang, Yue-Biao","Atomic-Level Characterization of Dynamics of a 3D Covalent Organic Framework by Cryo-Electron Diffraction Tomography.","Journal of the American Chemical Society","2019","141","28","10962","10966","10.1021/jacs.9b04895","","","0.0251","","","0.4084","0.4033","","","0.7484","0.7525","","","","","","1.192","","","","has coordinates","243407","2020-10-21","18:00:00",""
"4133671","20.5","","20.5","","9.1","","90","","90","","90","","3824.27","","77","","77","","","","","","","","","3","I 41/a :2","-I 4ad","88","","COF-300-V_Cryo","","- C41 H28 N4 -","- C41 H28 N4 -","- C164 H112 N16 -","4","0.25","","Sun, Tu; Wei, Lei; Chen, Yichong; Ma, Yanhang; Zhang, Yue-Biao","Atomic-Level Characterization of Dynamics of a 3D Covalent Organic Framework by Cryo-Electron Diffraction Tomography.","Journal of the American Chemical Society","2019","141","28","10962","10966","10.1021/jacs.9b04895","","","0.0251","","","0.3377","0.3175","","","0.619","0.6295","","","","","","1.05","","","","has coordinates","243408","2020-10-21","18:00:00",""
"4133672","19.9","","19.9","","9.3","","90","","90","","90","","3682.89","","77","","77","","","","","","","","","4","I 41/a :2","-I 4ad","88","","COF-300-H2O","","- C41 H36 N4 O4 -","- C41 H36 N4 O4 -","- C164 H144 N16 O16 -","4","0.25","","Sun, Tu; Wei, Lei; Chen, Yichong; Ma, Yanhang; Zhang, Yue-Biao","Atomic-Level Characterization of Dynamics of a 3D Covalent Organic Framework by Cryo-Electron Diffraction Tomography.","Journal of the American Chemical Society","2019","141","28","10962","10966","10.1021/jacs.9b04895","","","0.0251","","","0.3074","0.2911","","","0.6091","0.6187","","","","","","1.052","","","","has coordinates","243409","2020-10-21","18:00:00",""
"4133673","20.2514","0.0002","35.0504","0.0002","42.5407","0.0002","90","","90","","90","","30196.2","0.4","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","HCOF-3","","","- C34 H25 N12 S2 -","- C34 H25 N12 S2 -","- C1088 H800 N384 S64 -","32","1","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","x-ray","0.61992","synchrotron","","0.1723","0.1676","","","0.4469","0.4597","","","","","","2.248","","","","has coordinates,has disorder","243410","2020-10-21","18:00:00",""
"4133674","20.144","0.0003","34.7052","0.0004","42.3035","0.0003","90","","90","","90","","29574.4","0.6","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","P7","","","- C29 H27 N12 S -","- C29 H27 N12 S0.995 -","- C928 H864 N384 S31.84 -","32","1","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","x-ray","0.61992","synchrotron","","0.1489","0.1365","","","0.4046","0.4231","","","","","","1.733","","","","has coordinates,has disorder","243411","2020-10-21","18:00:00",""
"4133675","19.9929","0.0001","34.6322","0.0002","42.3319","0.0002","90","","90","","90","","29310.5","0.3","100","","100","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","P6","","","- C61 H58 N24 S2 -","- C61 H58 N24 S2 -","- C976 H928 N384 S32 -","16","0.5","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","","0.61992","synchrotron","","0.176","0.1708","","","0.482","0.4966","","","","","","2.476","","","","has coordinates,has disorder","243412","2020-10-21","18:00:00",""
"4133676","21.0124","0.0004","35.3974","0.0003","42.5092","0.0002","90","","90","","90","","31617.7","0.7","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","HCOF-2","","","- C33 H26 N12 S2 -","- C33 H26 N12 S2 -","- C1056 H832 N384 S64 -","32","1","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","x-ray","0.61992","synchrotron","","0.1901","0.183","","","0.4531","0.4665","","","","","","2.152","","","","has coordinates,has disorder","243413","2020-10-21","18:00:00",""
"4133677","20.8296","0.0002","35.3105","0.0003","42.4936","0.0002","90","","90","","90","","31254.2","0.4","100","2","100","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","HCOF-4","","","- C30 H25 N12 -","- C29.99 H24.98 N12 -","- C959.68 H799.36 N384 -","32","1","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","x-ray","0.61992","synchrotron","","0.1798","0.1761","","","0.4285","0.4405","","","","","","2.043","","","","has coordinates,has disorder","243414","2020-10-21","18:00:00",""
"4133678","20.5062","0.0013","35.21","0.002","42.652","0.004","90","","90","","90","","30796","4","150","2","150","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","monomer 1","","","- C62 H68 N24 -","- C62 H68 N24 -","- C992 H1088 N384 -","16","0.5","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","","0.71073","MoKα","","0.1047","0.0913","","","0.2578","0.2713","","","","","","1.055","","","","has coordinates,has disorder","243415","2020-10-21","18:00:00",""
"4133679","20.6068","0.0005","35.009","0.001","42.3618","0.001","90","","90","","90","","30560.8","1.4","150","2","150","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C58 H68 N24 -","- C58 H68 N24 -","- C928 H1088 N384 -","16","0.5","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","","1.54178","CuKα","","0.1287","0.0986","","","0.3052","0.3365","","","","","","1.29","","","","has coordinates,has disorder","243416","2020-10-21","18:00:00",""
"4133680","19.6681","0.0012","34.306","0.002","42.246","0.002","90","","90","","90","","28505","3","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","P5","","","- C30 H34 N12 S -","- C30 H34 N12 S -","- C960 H1088 N384 S32 -","32","1","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","","0.71073","MoKα","","0.1482","0.1386","","","0.4079","0.4218","","","","","","1.999","","","","has coordinates","243417","2020-10-21","18:00:00",""
"4133681","14.4278","0.0013","21.935","0.002","14.7814","0.0014","90","","91.076","0.003","90","","4677.1","0.7","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H79 K O2 Si8 -","- C32 H79 K O2 Si8 -","- C128 H316 K4 O8 Si32 -","4","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0296","0.0242","","","0.0552","0.0575","","","","","","1.039","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133682","9.4966","0.0003","13.7852","0.0005","24.0165","0.0009","90","","90","","90","","3144.06","0.19","100","","100","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H56 Si6 -","- C21 H56 Si6 -","- C84 H224 Si24 -","4","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0259","0.0236","","","0.0572","0.0581","","","","","","1.046","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133683","12.4962","0.001","14.8445","0.001","17.5284","0.0014","90","","108.895","0.003","90","","3076.3","0.4","100","","100","","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H54 Si6 -","- C21 H54 Si6 -","- C84 H216 Si24 -","4","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0348","0.0282","","","0.0661","0.0692","","","","","","1.037","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133684","11.883","0.0019","12.9036","0.0019","15.496","0.003","94.596","0.006","105.116","0.005","110.563","0.005","2108.6","0.6","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C32 H72 N2 O Si6 -","- C32 H72 N2 O Si6 -","- C64 H144 N4 O2 Si12 -","2","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0407","0.0358","","","0.092","0.095","","","","","","1.038","","","","has coordinates,has disorder","243418","2020-10-21","18:00:00",""
"4133685","11.3385","0.0004","12.1541","0.0004","16.6351","0.0006","90.739","0.002","97.371","0.002","116.989","0.001","2019.35","0.12","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C32 H74 N2 Si6 -","- C32 H74 N2 Si6 -","- C64 H148 N4 Si12 -","2","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0393","0.0306","","","0.0678","0.0711","","","","","","1.044","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133686","17.0644","0.0009","10.4534","0.0006","18.0274","0.0009","90","","90","","90","","3215.7","0.3","100","","100","","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C26 H56 N2 O2 Si3 -","- C26 H56 N2 O2 Si3 -","- C104 H224 N8 O8 Si12 -","4","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0376","0.0352","","","0.086","0.0877","","","","","","1.085","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133687","31.226","0.004","33.796","0.004","12.2692","0.0014","90","","90","","90","","12948","3","100","","100","","","","","","","","see text","3","F d d 2","F 2 -2d","43","","","","- C23 H58 Si6 -","- C23 H58 Si6 -","- C368 H928 Si96 -","16","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0182","0.018","","","0.0484","0.0485","","","","","","1.072","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133688","13.5965","0.0002","13.5965","0.0002","37.2086","0.0007","90","","90","","90","","6878.56","0.19","90","2","90","2","","","","","","","","7","P 41","P 4w","76","","","","- C78 H78 Al F6 N6 O7 P -","- C78 H78 Al F6 N6 O7 P -","- C312 H312 Al4 F24 N24 O28 P4 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0718","0.0564","","","0.1406","0.1502","","","","","","1.016","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133689","13.5799","0.0003","13.5799","0.0003","37.5593","0.0007","90","","90","","90","","6926.4","0.3","90","2","90","2","","","","","","","","5","P 41","P 4w","76","","","","- C66 H54 Al N6 O4 -","- C66 H54 Al N6 O4 -","- C264 H216 Al4 N24 O16 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0481","0.0438","","","0.1154","0.1182","","","","","","1.047","","","","has coordinates","243419","2020-10-21","18:00:00",""
"4133690","20.9379","0.0006","22.5375","0.0007","15.8419","0.0005","90","","99.1947","0.0017","90","","7379.5","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H94 Al N6 Na3 O9 -","- C86 H94 Al N6 Na3 O9 -","- C344 H376 Al4 N24 Na12 O36 -","4","0.5","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.1058","0.0852","","","0.2432","0.2643","","","","","","1.041","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133691","13.8134","0.0004","31.2138","0.0009","18.4513","0.0006","90","","110.467","0.0017","90","","7453.4","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73.76 H69.52 Cl8 Ga3 N6 O5.94 -","- C73.76 H69.52 Cl8 Ga3 N6 O5.94 -","- C295.04 H278.08 Cl32 Ga12 N24 O23.76 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0697","0.051","","","0.1381","0.1514","","","","","","1.023","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133692","13.6204","0.0004","13.6204","0.0004","37.271","0.0011","90","","90","","90","","6914.3","0.4","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","","","","- C78 H78 F6 Ga N6 O7 P -","- C78 H78 F6 Ga N6 O7 P -","- C312 H312 F24 Ga4 N24 O28 P4 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0588","0.0534","","","0.1387","0.1441","","","","","","1.034","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133693","13.6416","0.0005","13.6416","0.0005","37.5054","0.0014","90","","90","","90","","6979.5","0.4","90","2","90","2","","","","","","","","5","P 43","P 4cw","78","","","","- C82 H86 Ga N6 O8 -","- C82 H86 Ga N6 O8 -","- C328 H344 Ga4 N24 O32 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.065","0.0642","","","0.1701","0.1707","","","","","","1.059","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133694","10.7198","0.0005","15.4675","0.0007","39.951","0.002","90","","90.799","0.004","90","","6623.6","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83.36 H72.64 Ga N6 Na O4.32 -","- C83.36 H72.64 Ga N6 Na O4.32 -","- C333.44 H290.56 Ga4 N24 Na4 O17.28 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.1698","0.1284","","","0.3103","0.3455","","","","","","1.019","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133695","13.7314","0.0002","32.7897","0.0006","16.3067","0.0003","90","","96.0838","0.0012","90","","7300.7","0.2","90","2","90","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C72 H66 F9 In N6 Na0.5 O6 P1.5 -","- C72 H66 F9 In N6 Na0.5 O6 P1.5 -","- C288 H264 F36 In4 N24 Na2 O24 P6 -","4","0.5","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0856","0.0732","","","0.2068","0.2192","","","","","","1.091","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133696","14.3365","0.0003","16.4783","0.0003","25.0463","0.0004","77.3649","0.001","89.2744","0.0012","84.9715","0.0013","5751.32","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C71.21 H64.71 In N6 O4 -","- C71.215 H64.71 In N6 O4 -","- C284.86 H258.84 In4 N24 O16 -","4","2","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.069","0.0561","","","0.1471","0.1562","","","","","","1.024","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133697","22.1255","0.0013","22.0761","0.0013","15.9027","0.0009","90","","106.087","0.0008","90","","7463.4","0.8","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H62 In N6 Na O5 -","- C70 H62 In N6 Na O5 -","- C280 H248 In4 N24 Na4 O20 -","4","0.5","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","0.71073","MoKα","","0.0553","0.0457","","","0.1152","0.1217","","","","","","1.05","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133698","13.5219","0.0005","16.44","0.0007","21.4566","0.0009","87.446","0.002","79.203","0.002","73.2865","0.0018","4487.2","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H70 Al3 Cl8 N6 O6 -","- C74 H70 Al3 Cl8 N6 O6 -","- C148 H140 Al6 Cl16 N12 O12 -","2","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0874","0.0787","","","0.2099","0.2172","","","","","","1.037","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133699","17.8085","0.0003","11.5261","0.0002","16.7708","0.0002","90","","91.217","0.0007","90","","3441.64","0.09","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Al Cl2 N3 O2 -","- C39 H33 Al Cl2 N3 O2 -","- C156 H132 Al4 Cl8 N12 O8 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0354","0.0308","","","0.0803","0.0836","","","","","","1.042","","","","has coordinates","243419","2020-10-21","18:00:00",""
"4133700","16.2082","0.0007","16.2082","0.0007","5.791","0.0005","90","","90","","90","","1521.33","0.16","100","2","100","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C32 H32 O8 -","- C32 H32 O8 -","- C64 H64 O16 -","2","0.25","","Joo, Wontae; Wang, Wade; Mesch, Ryan; Matsuzawa, Kensuke; Liu, Di; Willson, C. Grant","Synthesis of Unzipping Polyester and a Study of its Photochemistry.","Journal of the American Chemical Society","2019","141","37","14736","14741","10.1021/jacs.9b06285","","","0.71073","MoKα","","0.157","0.111","","","0.2121","0.2314","","","","","","1.213","","","","has coordinates","243421","2020-10-21","18:00:00",""
"4133701","19.2667","0.0009","11.2967","0.0006","24.8121","0.0012","90","","105.217","0.003","90","","5211","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C49.46 H62.18 B2 F8 Fe N10.73 -","- C49.456 H62.184 B2 F8 Fe N10.728 -","- C197.824 H248.736 B8 F32 Fe4 N42.912 -","4","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.0558","0.0488","","","0.1299","0.1335","","","","","","1.056","","","","has coordinates,has disorder","243422","2020-10-21","18:00:00",""
"4133702","23.4382","0.0016","12.0678","0.0008","19.8297","0.0013","90","","105.17","0.001","90","","5413.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 B3 F12 Fe N11 O -","- C48.002 H60.003 B3 F12.009 Fe N11.001 O -","- C192.008 H240.012 B12 F48.036 Fe4 N44.004 O4 -","4","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.0792","0.0574","","","0.1467","0.1599","","","","","","1.058","","","","has coordinates,has disorder","243422","2020-10-21","18:00:00",""
"4133703","16.4129","0.0009","13.8617","0.0007","46.111","0.002","90","","90","","90","","10490.7","0.9","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C45 H57 B2 Cl6 F8 Fe N8 O -","- C45 H57 B2 Cl6 F8 Fe N8 O -","- C360 H456 B16 Cl48 F64 Fe8 N64 O8 -","8","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.1683","0.0776","","","0.1409","0.1744","","","","","","1.014","","","","has coordinates","243422","2020-10-21","18:00:00",""
"4133704","19.1778","0.0012","19.1778","0.0012","9.8155","0.0008","90","","90","","120","","3126.4","0.4","100","2","100","2","","","","","","","","7","P 3","P 3","143","","","","- C42 H51 B F4 Fe N8 O -","- C42 H51 B F4 Fe N8 O -","- C126 H153 B3 F12 Fe3 N24 O3 -","3","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.0472","0.0424","","","0.0955","0.0984","","","","","","1.021","","","","has coordinates","243422","2020-10-21","18:00:00",""
"4133705","18.6911","0.0008","18.6911","0.0008","39.1469","0.0019","90","","90","","120","","11844","0.9","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C44.67 H53.67 B Cl8 F4 Fe N8 O -","- C44.6667 H53.6667 B Cl8 F4 Fe N8 O -","- C402 H483 B9 Cl72 F36 Fe9 N72 O9 -","9","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.1047","0.0765","","","0.1821","0.2002","","","","","","1.034","","","","has coordinates,has disorder","243422","2020-10-21","18:00:00",""
"4133706","12.2658","0.0019","17.831","0.003","17.641","0.003","90","","91.921","0.004","90","","3856.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H51 Fe N8 O -","- C42 H51 Fe N8 O -","- C168 H204 Fe4 N32 O4 -","4","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.1013","0.0483","","","0.0821","0.098","","","","","","1.009","","","","has coordinates","243422","2020-10-21","18:00:00",""
"4133707","9.71975","0.00018","31.8436","0.0006","9.22858","0.00017","90","","122.525","0.0007","90","","2408.36","0.08","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Al Br3 N O3 Si -","- C24 H17 Al Br3 N O3 Si -","- C96 H68 Al4 Br12 N4 O12 Si4 -","4","1","","Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto","Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.","Journal of the American Chemical Society","2019","141","44","17466","17471","10.1021/jacs.9b08875","","","1.54187","CuKα","","","0.0316","","","","0.0377","","","","","","1.079","","","","has coordinates","243423","2020-10-21","18:00:00",""
"4133708","32.2397","0.0019","12.9717","0.001","16.1906","0.001","90","","98.752","0.003","90","","6692.1","0.8","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 Al N O3 Si -","- C42 H32 Al N O3 Si -","- C336 H256 Al8 N8 O24 Si8 -","8","1","","Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto","Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.","Journal of the American Chemical Society","2019","141","44","17466","17471","10.1021/jacs.9b08875","","","1.54187","CuKα","","","0.0611","","","","0.0985","","","","","","2.266","","","","has coordinates","243424","2020-10-21","18:00:00",""
"4133709","24.586","0.003","10.5567","0.001","20.865","0.002","90","","90","","90","","5415.4","1","123","","123","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C29 H20 Al Br3 N2 O3 Si -","- C29 H20 Al Br3 N2 O3 Si -","- C232 H160 Al8 Br24 N16 O24 Si8 -","8","2","","Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto","Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.","Journal of the American Chemical Society","2019","141","44","17466","17471","10.1021/jacs.9b08875","","","0.71075","MoKα","","0.1262","0.0699","","","0.1371","0.1594","","","","","","0.999","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4133710","31.9492","0.0011","12.4895","0.0004","16.1636","0.0006","90","","98.3239","0.0019","90","","6381.8","0.4","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 B N O3 Si -","- C42 H32 B N O3 Si -","- C336 H256 B8 N8 O24 Si8 -","8","1","","Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto","Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.","Journal of the American Chemical Society","2019","141","44","17466","17471","10.1021/jacs.9b08875","","","1.54187","CuKα","","","0.0797","","","","0.1528","","","","","","1.194","","","","has coordinates","243426","2020-10-21","18:00:00",""
"4133711","9.0037","0.0003","17.1885","0.0005","15.0515","0.0005","90","","94.761","0.003","90","","2321.33","0.13","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 B Br3 N O3 Si -","- C24 H17 B Br3 N O3 Si -","- C96 H68 B4 Br12 N4 O12 Si4 -","4","1","","Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto","Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.","Journal of the American Chemical Society","2019","141","44","17466","17471","10.1021/jacs.9b08875","","","0.71075","MoKα","","0.043","0.0301","","","0.0564","0.0591","","","","","","1.019","","","","has coordinates","243427","2020-10-21","18:00:00",""
"4133712","8.7733","0.0009","9.6719","0.0011","10.8271","0.0012","66.036","0.005","84.097","0.005","80.862","0.005","828.13","0.16","100","","100","","","","","","","","see text","3","P -1","-P 1","2","","","","- C21 H21 P -","- C21 H21 P -","- C42 H42 P2 -","2","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0477","0.0395","","","0.1007","0.1058","","","","","","1.023","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133713","9.1563","0.0012","9.899","0.002","13.221","0.003","95.9","0.005","108.6","0.007","95.516","0.005","1119.1","0.4","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C28 H27 O P -","- C28 H27 O P -","- C56 H54 O2 P2 -","2","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0396","0.0358","","","0.0876","0.0901","","","","","","1.049","","","","has coordinates,has disorder","243428","2020-10-21","18:00:00",""
"4133714","10.878","0.0007","20.5915","0.0014","20.3438","0.0013","90","","92.593","0.002","90","","4552.2","0.5","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H75 N3 O2 Si2 -","- C47 H75 N3 O2 Si2 -","- C188 H300 N12 O8 Si8 -","4","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0532","0.0488","","","0.1149","0.1182","","","","","","1.054","","","","has coordinates,has disorder","243428","2020-10-21","18:00:00",""
"4133715","10.6676","0.0008","10.118","0.0009","14.5035","0.0011","90","","93.603","0.003","90","","1562.3","0.2","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 O P -","- C20 H15 O P -","- C80 H60 O4 P4 -","4","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0342","0.0321","","","0.0867","0.0886","","","","","","1.062","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133716","36.225","0.005","36.225","0.005","34.334","0.005","90","","90","","120","","39019","10","100","","100","","","","","","","","see text","6","R -3 :H","-R 3","148","","","","- C62 H86 N3 O3 P Si2 -","- C62 H86 N3 O3 P Si2 -","- C1116 H1548 N54 O54 P18 Si36 -","18","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.135","0.0813","","","0.2419","0.2755","","","","","","1.041","","","","has coordinates,has disorder","243428","2020-10-21","18:00:00",""
"4133717","12.3115","0.0008","16.7455","0.0012","17.3782","0.0012","83.152","0.003","78.214","0.003","83.253","0.003","3466.2","0.4","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C78 H100 N3 O P Si2 -","- C78 H100 N3 O P Si2 -","- C156 H200 N6 O2 P2 Si4 -","2","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0626","0.0421","","","0.0948","0.1052","","","","","","1.042","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133718","19.5253","0.0016","11.8248","0.0009","19.9542","0.0016","90","","99.975","0.003","90","","4537.4","0.6","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H71 N3 Si2 -","- C48 H71 N3 Si2 -","- C192 H284 N12 Si8 -","4","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0386","0.0348","","","0.0847","0.0869","","","","","","1.054","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133719","23.695","0.003","18.5885","0.0019","25.738","0.002","90","","90","","90","","11336","2","100","","100","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C48 H79 N5 Si2 -","- C48 H79 N5 Si2 -","- C384 H632 N40 Si16 -","8","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0466","0.0428","","","0.1062","0.1091","","","","","","1.074","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133720","9.8772","0.0003","10.1837","0.0003","14.5626","0.0004","104.501","0.003","90.579","0.002","91.309","0.002","1417.58","0.07","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H40 Si6 -","- C22 H40 Si6 -","- C44 H80 Si12 -","2","1","","Marro, Eric A.; Folster, Carlton P.; Press, Eric M.; Im, Hoyeon; Ferguson, John T.; Siegler, Maxime A.; Klausen, Rebekka S.","Stereocontrolled Syntheses of Functionalized <i>cis</i>- and <i>trans</i>-Siladecalins.","Journal of the American Chemical Society","2019","141","44","17926","17936","10.1021/jacs.9b09902","","","0.71073","MoKα","","0.0521","0.0396","","","0.0975","0.1054","","","","","","1.058","","","","has coordinates,has disorder","243429","2020-10-21","18:00:00",""
"4133721","12.1961","0.0003","12.2373","0.0002","18.3114","0.0004","93.9832","0.0017","103.109","0.002","117.474","0.002","2313.09","0.1","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H62 Si10 -","- C38 H62 Si10 -","- C76 H124 Si20 -","2","1","","Marro, Eric A.; Folster, Carlton P.; Press, Eric M.; Im, Hoyeon; Ferguson, John T.; Siegler, Maxime A.; Klausen, Rebekka S.","Stereocontrolled Syntheses of Functionalized <i>cis</i>- and <i>trans</i>-Siladecalins.","Journal of the American Chemical Society","2019","141","44","17926","17936","10.1021/jacs.9b09902","","","0.71073","MoKα","","0.0412","0.0342","","","0.0819","0.0853","","","","","","1.07","","","","has coordinates,has disorder","243430","2020-10-21","18:00:00",""
"4133722","14.3961","0.0005","14.4414","0.0003","27.9432","0.0007","90","","103.685","0.003","90","","5644.5","0.3","110","2","110","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H40 Si6 -","- C22 H40 Si6 -","- C176 H320 Si48 -","8","2","","Marro, Eric A.; Folster, Carlton P.; Press, Eric M.; Im, Hoyeon; Ferguson, John T.; Siegler, Maxime A.; Klausen, Rebekka S.","Stereocontrolled Syntheses of Functionalized <i>cis</i>- and <i>trans</i>-Siladecalins.","Journal of the American Chemical Society","2019","141","44","17926","17936","10.1021/jacs.9b09902","","","0.71073","MoKα","","0.04","0.0355","","","0.0801","0.0827","","","","","","1.027","","","","has coordinates","243431","2020-10-21","18:00:00",""
"4133723","13.7763","0.0006","15.0391","0.0004","16.5372","0.0007","90","","109.983","0.005","90","","3219.9","0.2","110","2","110","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C14 H46 Si10 -","- C14 H46 Si10 -","- C56 H184 Si40 -","4","1","","Marro, Eric A.; Folster, Carlton P.; Press, Eric M.; Im, Hoyeon; Ferguson, John T.; Siegler, Maxime A.; Klausen, Rebekka S.","Stereocontrolled Syntheses of Functionalized <i>cis</i>- and <i>trans</i>-Siladecalins.","Journal of the American Chemical Society","2019","141","44","17926","17936","10.1021/jacs.9b09902","","","0.71073","MoKα","","0.0564","0.0364","","","0.087","0.0972","","","","","","1.044","","","","has coordinates,has disorder","243432","2020-10-21","18:00:00",""
"4133724","25.8095","0.0009","25.8095","0.0009","6.8241","0.0003","90","","90","","120","","3936.7","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Co2(dobdc)(1-butene)1.59","","","- C14.36 H14.71 Co2 O6 -","- C14.36 H14.72 Co2 O6 -","- C129.24 H132.48 Co18 O54 -","9","0.5","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","","","0.7749","synchrotron","","0.0465","0.0438","","","0.1235","0.1253","","","","","","1.074","","","","has coordinates","243433","2020-10-21","18:00:00",""
"4133725","25.892","0.004","25.892","0.004","6.848","0.0014","90","","90","","120","","3975.8","1.2","100","2","100","","","","","","","","","4","R -3 :H","-R 3","148","Co2(dobdc)(cis-2-butene)1.6","","","- C14.31 H14.61 Co2 O6 -","- C14.408 H14.816 Co2 O6 -","- C129.672 H133.344 Co18 O54 -","9","0.5","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","","","0.7288","synchrotron","","0.0671","0.0504","","","0.1096","0.1181","","","","","","1.051","","","","has coordinates,has disorder","243433","2020-10-21","18:00:00",""
"4133726","25.813","0.0011","25.813","0.0011","6.8924","0.0003","90","","90","","120","","3977.2","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Co2(dobdc)(trans-2-butene)1.48","","","- C13.93 H13.86 Co2 O6 -","- C13.928 H13.856 Co2 O6 -","- C125.352 H124.704 Co18 O54 -","9","0.5","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","","","0.7749","synchrotron","","0.0551","0.0455","","","0.1188","0.1236","","","","","","1.052","","","","has coordinates","243433","2020-10-21","18:00:00",""
"4133727","25.982","0.001","25.982","0.001","6.8437","0.0005","90","","90","","120","","4001","0.4","250","","250","","","","","","","","","4","R 3 m :H","R 3 -2""","160","Co2mdobdc_1C4H8","","","- C7.28 H7.56 Co O3 -","- C7.78 H7.56 Co O3 -","- C140.04 H136.08 Co18 O54 -","18","1","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","powder diffraction","x-ray","0.45415","synchrotron","","","","","","","","","0.032","4.053","","","","","","","has coordinates","243433","2020-10-21","18:00:00",""
"4133728","26.089","0.003","26.089","0.003","6.8483","0.0008","90","","90","","120","","4036.7","0.8","125","","125","","","","","","","","","4","R 3 m :H","R 3 -2""","160","Co2mdobdc_cisC4H8_1p5","","","- C8.17 H8.28 Co O3 -","- C9.17 H8.78 Co O3 -","- C165.06 H158.04 Co18 O54 -","18","1","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","powder diffraction","x-ray","0.45411","synchrotron","","","","","","","","","0.031","2.85","","","","","","","has coordinates","243433","2020-10-21","18:00:00",""
"4133729","38.1427","0.0019","38.1427","0.0019","13.6269","0.0007","90","","90","","90","","19825.3","1.7","100","2","100","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C11.25 H10.66 Mn0.5 Mo3 N O12 -","- C11.25 H10.5 Mn0.5 Mo3 N O12 -","- C180 H168 Mn8 Mo48 N16 O192 -","16","1","","Xu, Wentao; Pei, Xiaokun; Diercks, Christian S.; Lyu, Hao; Ji, Zhe; Yaghi, Omar M.","A Metal-Organic Framework of Organic Vertices and Polyoxometalate Linkers as a Solid-State Electrolyte.","Journal of the American Chemical Society","2019","141","44","17522","17526","10.1021/jacs.9b10418","","x-ray","0.7288","synchrotron","","0.079","0.0737","","","0.2282","0.2369","","","","","","1.059","","","","has coordinates,has disorder","243434","2020-10-21","18:00:00",""
"4133746","11.1917","0.0005","12.996","0.0006","14.8015","0.0007","91.307","0.002","93.718","0.002","91.239","0.002","2147.17","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Au Cl3 N2 O -","- C48 H56 Au Cl3 N2 O -","- C96 H112 Au2 Cl6 N4 O2 -","2","1","","Leung, Ming-Yi; Leung, Sammual Yu-Lut; Yim, King-Chin; Chan, Alan Kwun-Wa; Ng, Maggie; Yam, Vivian Wing-Wah","Multiresponsive Luminescent Cationic Cyclometalated Gold(III) Amphiphiles and Their Supramolecular Assembly.","Journal of the American Chemical Society","2019","141","49","19466","19478","10.1021/jacs.9b10607","","","0.71073","MoKα","","0.0414","0.0404","","","0.1159","0.1174","","","","","","1.095","","","","has coordinates,has disorder","246565","2020-10-21","18:00:00",""
"4133747","8.3336","0.0004","9.1601","0.0004","19.8551","0.0009","92.442","0.001","99.223","0.001","98.617","0.001","1475.74","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H29 Au F3 N3 O3 S -","- C32 H29 Au F3 N3 O3 S -","- C64 H58 Au2 F6 N6 O6 S2 -","2","1","","Leung, Ming-Yi; Leung, Sammual Yu-Lut; Yim, King-Chin; Chan, Alan Kwun-Wa; Ng, Maggie; Yam, Vivian Wing-Wah","Multiresponsive Luminescent Cationic Cyclometalated Gold(III) Amphiphiles and Their Supramolecular Assembly.","Journal of the American Chemical Society","2019","141","49","19466","19478","10.1021/jacs.9b10607","","x-ray","0.71073","MoKα","","0.0161","0.0153","","","0.0379","0.0385","","","","","","1.047","","","","has coordinates","246565","2020-10-21","18:00:00",""
"4133749","6.3651","0.0002","18.5633","0.0007","19.196","0.0008","90","","90","","90","","2268.15","0.15","179.99","0.17","179.99","0.17","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O3 -","- C27 H32 O3 -","- C108 H128 O12 -","4","1","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","0.71073","MoKα","","0.0851","0.0623","","","0.1457","0.1571","","","","","","1.032","","","","has coordinates,has disorder","246546","2020-10-21","18:00:00",""
"4133750","9.9501","0.0001","16.1588","0.0002","17.0386","0.0002","90","","90","","90","","2739.49","0.05","180","0.1","180","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 O3 -","- C33 H40 O3 -","- C132 H160 O12 -","4","1","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","1.54184","CuKα","","0.0343","0.0327","","","0.0879","0.0899","","","","","","1.049","","","","has coordinates","246546","2020-10-21","18:00:00",""
"4133751","9.4175","0.0002","12.3116","0.0002","12.9079","0.0002","90","","96.017","0.002","90","","1488.35","0.05","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H43 Br O4 -","- C35 H43 Br O4 -","- C70 H86 Br2 O8 -","2","1","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","0.71073","MoKα","","0.029","0.0264","","","0.0628","0.0637","","","","","","1.013","","","","has coordinates","246546","2020-10-21","18:00:00",""
"4133752","6.1346","0.0004","22.0981","0.0011","7.4304","0.0004","90","","111.029","0.007","90","","940.2","0.1","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C40 H64 O6 -","2","1","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","0.71073","MoKα","","0.0432","0.0369","","","0.0879","0.0912","","","","","","1.036","","","","has coordinates","246546","2020-10-21","18:00:00",""
"4133753","10.7367","0.0004","22.948","0.0006","34.1561","0.001","90","","90","","90","","8415.6","0.5","180","0.1","180","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 O3 -","- C34 H42 O3 -","- C408 H504 O36 -","12","3","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","0.71073","MoKα","","0.0711","0.0476","","","0.1143","0.1252","","","","","","1.012","","","","has coordinates","246546","2020-10-21","18:00:00",""
"4133759","8.97867","0.00005","20.51133","0.00008","13.55182","0.00006","90","","91.3811","0.0004","90","","2495.04","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 O4.5 P2 -","- C28 H29 O4.5 P2 -","- C112 H116 O18 P8 -","4","2","","Dai, Qiang; Li, Wenbo; Li, Zhiming; Zhang, Junliang","P-Chiral Phosphines Enabled by Palladium/Xiao-Phos-Catalyzed Asymmetric P-C Cross-Coupling of Secondary Phosphine Oxides and Aryl Bromides.","Journal of the American Chemical Society","2019","141","51","20556","20564","10.1021/jacs.9b11938","","x-ray","1.54184","CuKα","","0.0229","0.0226","","","0.0583","0.0584","","","","","","1.024","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4133760","16.5166","0.0001","10.2647","0.0001","25.2392","0.0002","90","","103.904","0.001","90","","4153.63","0.06","100.01","0.11","100.01","0.11","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C72 H88 Cl2 N2 O2 P2 Pd S2 -","- C72 H88 Cl2 N2 O2 P2 Pd S2 -","- C144 H176 Cl4 N4 O4 P4 Pd2 S4 -","2","1","","Dai, Qiang; Li, Wenbo; Li, Zhiming; Zhang, Junliang","P-Chiral Phosphines Enabled by Palladium/Xiao-Phos-Catalyzed Asymmetric P-C Cross-Coupling of Secondary Phosphine Oxides and Aryl Bromides.","Journal of the American Chemical Society","2019","141","51","20556","20564","10.1021/jacs.9b11938","","x-ray","1.54184","CuKα","","0.0478","0.0464","","","0.1155","0.1166","","","","","","1.085","","","","has coordinates","246548","2020-10-21","18:00:00",""
"4133761","9.2264","0.0004","9.8051","0.0004","12.0617","0.0006","112.12","0.002","103.086","0.002","101.278","0.002","935.71","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 B Cl O2 -","- C18 H28 B Cl O2 -","- C36 H56 B2 Cl2 O4 -","2","1","","Campbell, Mark W.; Compton, Jordan S.; Kelly, Christopher B.; Molander, Gary A.","Three-Component Olefin Dicarbofunctionalization Enabled by Nickel/Photoredox Dual Catalysis.","Journal of the American Chemical Society","2019","141","51","20069","20078","10.1021/jacs.9b08282","","","0.71073","MoKα","","0.0751","0.0613","","","0.1682","0.1802","","","","","","1.03","","","","has coordinates,has disorder","246549","2020-10-21","18:00:00",""
"4133762","11.9599","0.0006","13.0727","0.0006","14.6426","0.0007","106.075","0.002","108.081","0.002","102.136","0.002","1978.23","0.17","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H59 B2 Cl2 N O8 S -","- C37 H59 B2 Cl2 N O8 S -","- C74 H118 B4 Cl4 N2 O16 S2 -","2","1","","Campbell, Mark W.; Compton, Jordan S.; Kelly, Christopher B.; Molander, Gary A.","Three-Component Olefin Dicarbofunctionalization Enabled by Nickel/Photoredox Dual Catalysis.","Journal of the American Chemical Society","2019","141","51","20069","20078","10.1021/jacs.9b08282","","","0.71073","MoKα","","0.0489","0.0374","","","0.0799","0.0856","","","","","","1.037","","","","has coordinates","246549","2020-10-21","18:00:00",""
"4133763","11.4834","0.0008","13.1501","0.0009","14.4544","0.001","72.64","0.002","89.929","0.002","77.252","0.002","2027.1","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C77 H54 F32 Ir2 N8 O3 P2 -","- C77 H54 F32 Ir2 N8 O3 P2 -","- C77 H54 F32 Ir2 N8 O3 P2 -","1","0.5","","Campbell, Mark W.; Compton, Jordan S.; Kelly, Christopher B.; Molander, Gary A.","Three-Component Olefin Dicarbofunctionalization Enabled by Nickel/Photoredox Dual Catalysis.","Journal of the American Chemical Society","2019","141","51","20069","20078","10.1021/jacs.9b08282","","","0.71073","MoKα","","0.0532","0.0478","","","0.1216","0.1246","","","","","","1.275","","","","has coordinates","246549","2020-10-21","18:00:00",""
"4133767","20.566","0.0007","22.9402","0.0008","23.6774","0.0009","71.31","0.001","65.059","0.001","68.595","0.002","9245","0.6","150","2","150","2","","","","","","","synthesis as described","9","P -1","-P 1","2","","","","- C147 H102 F27 N2 O6 P4 Ru S6 Yb -","- C147 H102 F27 N2 O6 P4 Ru S6 Yb -","- C294 H204 F54 N4 O12 P8 Ru2 S12 Yb2 -","2","1","","Al Sabea, Hassan; Norel, Lucie; Galangau, Olivier; Hijazi, Hussein; Métivier, Remi; Roisnel, Thierry; Maury, Olivier; Bucher, Christophe; Riobé, François; Rigaut, Stéphane","Dual Light and Redox Control of NIR Luminescence with Complementary Photochromic and Organometallic Antennae.","Journal of the American Chemical Society","2019","141","51","20026","20030","10.1021/jacs.9b11318","","x-ray","0.71073","MoKα","","0.1009","0.0682","","","0.1599","0.1898","","","","","","1.045","","","","has coordinates","246551","2020-10-21","18:00:00",""
"4133768","17.598","0.0005","16.9502","0.0005","26.7945","0.0007","90","","106.438","0.001","90","","7665.8","0.4","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C128 H53 N4 Ni S2 U2 -","- C128 H53 N4 Ni S2 U2.0261 -","- C512 H212 N16 Ni4 S8 U8.1044 -","4","1","","Zhuang, Jiaxin; Abella, Laura; Sergentu, Dumitru-Claudiu; Yao, Yang-Rong; Jin, Meihe; Yang, Wei; Zhang, Xingxing; Li, Xiaomeng; Zhang, Duo; Zhao, Yiming; Li, Xiaohong; Wang, Shuao; Echegoyen, Luis; Autschbach, Jochen; Chen, Ning","Diuranium(IV) Carbide Cluster U<sub>2</sub>C<sub>2</sub> Stabilized Inside Fullerene Cages.","Journal of the American Chemical Society","2019","141","51","20249","20260","10.1021/jacs.9b10247","","","0.82653","synchrotron","","0.0655","0.0626","","","0.183","0.1864","","","","","","1.033","","","","has coordinates","246552","2020-10-21","18:00:00",""
"4133769","17.6747","0.0015","16.8738","0.0011","26.3272","0.0015","90","","106.042","0.007","90","","7546.1","1","113","2","112.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H53 N4 Ni S2 U1.92 -","- C126 H53 N4 Ni S2 U1.9249 -","- C504 H212 N16 Ni4 S8 U7.6996 -","4","1","","Zhuang, Jiaxin; Abella, Laura; Sergentu, Dumitru-Claudiu; Yao, Yang-Rong; Jin, Meihe; Yang, Wei; Zhang, Xingxing; Li, Xiaomeng; Zhang, Duo; Zhao, Yiming; Li, Xiaohong; Wang, Shuao; Echegoyen, Luis; Autschbach, Jochen; Chen, Ning","Diuranium(IV) Carbide Cluster U<sub>2</sub>C<sub>2</sub> Stabilized Inside Fullerene Cages.","Journal of the American Chemical Society","2019","141","51","20249","20260","10.1021/jacs.9b10247","","","1.54178","CuKα","","0.0772","0.0741","","","0.2025","0.2055","","","","","","1.031","","","","has coordinates,has disorder","246552","2020-10-21","18:00:00",""
"4133779","14.7058","0.0003","10.8534","0.0002","16.2209","0.0003","90","","114.202","0.008","90","","2361.43","0.17","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 O S2 -","- C31 H24 O S2 -","- C124 H96 O4 S8 -","4","1","","Mizutsu, Ryo; Asato, Ryosuke; Martin, Colin J.; Yamada, Mihoko; Nishikawa, Yoshiko; Katao, Shohei; Yamada, Miku; Nakashima, Takuya; Kawai, Tsuyoshi","Photo-Lewis Acid Generator Based on Radical-Free 6π Photo-Cyclization Reaction.","Journal of the American Chemical Society","2019","141","51","20043","20047","10.1021/jacs.9b11821","","","0.71075","MoKα","","0.0349","0.0335","","","0.0849","0.086","","","","","","1.058","","","","has coordinates","246553","2020-10-21","18:00:00",""
"4133780","16.3908","0.0003","8.62288","0.00017","19.0929","0.0004","90","","102.722","0.007","90","","2632.26","0.12","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 F3 O3 S3 -","- C31 H21 F3 O3 S3 -","- C124 H84 F12 O12 S12 -","4","1","","Mizutsu, Ryo; Asato, Ryosuke; Martin, Colin J.; Yamada, Mihoko; Nishikawa, Yoshiko; Katao, Shohei; Yamada, Miku; Nakashima, Takuya; Kawai, Tsuyoshi","Photo-Lewis Acid Generator Based on Radical-Free 6π Photo-Cyclization Reaction.","Journal of the American Chemical Society","2019","141","51","20043","20047","10.1021/jacs.9b11821","","","0.71075","MoKα","","0.048","0.0355","","","0.0776","0.082","","","","","","1.03","","","","has coordinates","246553","2020-10-21","18:00:00",""
"4133782","10.13686","0.00018","27.9904","0.0005","29.413","0.0007","90","","90","","90","","8345.5","0.3","179.99","0.1","179.99","0.1","","","","","","","","6","A e m 2","A 2 -2b","39","","","","- C82 H120 K2 N4 O3 Sc2 -","- C82 H120 K2 N4 O3 Sc2 -","- C328 H480 K8 N16 O12 Sc8 -","4","0.5","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.1094","0.104","","","0.2451","0.2549","","","","","","1.185","","","","has coordinates,has disorder","246547","2020-10-21","18:00:00",""
"4133783","16.1534","0.0003","21.9933","0.0005","18.0185","0.0004","90","","93.986","0.002","90","","6385.9","0.2","179.99","0.1","179.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H100 K N4 O8 Sc -","- C61 H100 K N4 O8 Sc -","- C244 H400 K4 N16 O32 Sc4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0522","0.0456","","","0.1241","0.1299","","","","","","1.025","","","","has coordinates,has disorder","246547","2020-10-21","18:00:00",""
"4133784","12.9177","0.0003","24.4065","0.0005","17.75","0.0004","90","","93.882","0.002","90","","5583.3","0.2","180","0.2","180","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H88 K N4 O6 Sc Si -","- C50 H88 K N4 O6 Sc Si -","- C200 H352 K4 N16 O24 Sc4 Si4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0515","0.0423","","","0.1057","0.1123","","","","","","1.024","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133785","22.869","0.003","8.6245","0.0009","20.838","0.003","90","","107.273","0.016","90","","3924.6","0.9","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 K N2 O Sc -","- C41 H56 K N2 O Sc -","- C164 H224 K4 N8 O4 Sc4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0842","0.0687","","","0.1511","0.1583","","","","","","1.165","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133786","11.5768","0.0003","15.0488","0.0004","22.132","0.0006","109.736","0.002","92.258","0.002","91.702","0.002","3622.66","0.17","179.99","0.11","179.99","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C68 H94 N6 Sc2 -","- C68 H94 N6 Sc2 -","- C136 H188 N12 Sc4 -","2","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0469","0.0391","","","0.1025","0.1075","","","","","","1.021","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133787","10.8626","0.0002","16.8834","0.0004","33.3909","0.0007","90","","90","","90","","6123.8","0.2","180","0.1","180","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H93 K N5 O7 Sc Si -","- C57 H93 K N5 O7 Sc Si -","- C228 H372 K4 N20 O28 Sc4 Si4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0403","0.0348","","","0.0812","0.0835","","","","","","1.018","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133788","10.7441","0.0004","25.3512","0.0007","21.2161","0.0006","90","","103.475","0.003","90","","5619.7","0.3","179.99","0.1","179.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H84 K N6 O7 Sc -","- C53 H84 K N6 O7 Sc -","- C212 H336 K4 N24 O28 Sc4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0468","0.0396","","","0.0929","0.0966","","","","","","1.047","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133789","10.4972","0.0003","31.6651","0.0007","14.7793","0.0003","90","","101.47","0.002","90","","4814.5","0.2","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H74 K N10 O6 Sc -","- C39 H74 K N10 O6 Sc -","- C156 H296 K4 N40 O24 Sc4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0365","0.0312","","","0.0781","0.0807","","","","","","1.022","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133790","10.3841","0.0003","13.5846","0.0003","22.4918","0.0006","77.35","0.002","89.627","0.002","85.456","0.002","3085.84","0.14","179.98","0.1","179.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C51 H84 K N4 O6 S2 Sc -","- C51 H84 K N4 O6 S2 Sc -","- C102 H168 K2 N8 O12 S4 Sc2 -","2","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0422","0.0365","","","0.0956","0.0986","","","","","","1.063","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133791","10.5193","0.0003","13.478","0.0004","21.8407","0.0006","77.37","0.002","88.284","0.002","83.382","0.002","3001.46","0.15","179.99","0.1","179.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C51 H84 K N6 O6 Sc -","- C51 H84 K N6 O6 Sc -","- C102 H168 K2 N12 O12 Sc2 -","2","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0459","0.0366","","","0.0911","0.0951","","","","","","1.036","","","","has coordinates,has disorder","246547","2020-10-21","18:00:00",""
"4133792","22.6832","0.0009","22.6832","0.0009","50.192","0.002","90","","90","","120","","22365.3","1.5","100","0.1","100","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C148 H180 Dy15 N31 Na2 O79 -","- C132 H80 Dy15 N24 Na2 O73 -","- C264 H160 Dy30 N48 Na4 O146 -","2","0.0833333","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.1499","0.135","","","0.427","0.4365","","","","","","1.901","","","","has coordinates,has disorder","246550","2020-10-21","18:00:00",""
"4133793","43.475","0.002","43.475","0.002","43.475","0.002","90","","90","","90","","82171","7","100","0.1","100","0.1","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C141 H133 N3 O53 Y9 -","- C135 H81 O53 Y9 -","- C1080 H648 O424 Y72 -","8","0.0833333","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.1121","0.1018","","","0.3707","0.3865","","","","","","1.944","","","","has coordinates,has disorder","246550","2020-10-21","18:00:00",""
"4133794","23.951","0.001","23.951","0.001","32.354","0.002","90","","90","","120","","16073.3","1.4","100","0.1","100","0.1","","","","","","","","5","P 63/m","-P 6c","176","","","","- C138 H130 N3 O53 Y9 -","- C132 H78 O53 Y9 -","- C264 H156 O106 Y18 -","2","0.166667","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.1182","0.0865","","","0.2652","0.3016","","","","","","1.13","","","","has coordinates,has disorder","246550","2020-10-21","18:00:00",""
"4133795","23.7931","0.0003","23.7931","0.0003","32.3652","0.0005","90","","90","","120","","15867.6","0.4","100","0.1","100","0.1","","","","","","","","5","P 63/m","-P 6c","176","","","","- C138 H130 N3 O53 Tb9 -","- C132 H78 O53 Tb9 -","- C264 H156 O106 Tb18 -","2","0.166667","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.1191","0.0922","","","0.2928","0.3184","","","","","","1.312","","","","has coordinates,has disorder","246550","2020-10-21","18:00:00",""
"4133796","22.7138","0.0009","22.7138","0.0009","50.592","0.003","90","","90","","120","","22604.4","1.8","100","0.1","100","0.1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C142 H160 N29 O73 Tb15 -","- C132 H92 N24 O73 Tb15 -","- C264 H184 N48 O146 Tb30 -","2","0.0833333","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.0939","0.0846","","","0.2713","0.2785","","","","","","1.226","","","","has coordinates","246550","2020-10-21","18:00:00",""
"4133896","19.216","0.0005","14.5222","0.0003","38.5485","0.0009","90","","102.952","0.002","90","","10483.6","0.4","123","2","123","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C120 H261 Ag2 Cl8 N7 O68 Si2 W18 -","- C120 H261 Ag2 Cl8 N7 O68 Si2 W18 -","- C240 H522 Ag4 Cl16 N14 O136 Si4 W36 -","2","0.5","","Yonesato, Kentaro; Ito, Hiroyasu; Itakura, Hiroyuki; Yokogawa, Daisuke; Kikuchi, Takashi; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Controlled Assembly Synthesis of Atomically Precise Ultrastable Silver Nanoclusters with Polyoxometalates.","Journal of the American Chemical Society","2019","141","50","19550","19554","10.1021/jacs.9b10569","","","0.71073","MoKα","","0.1305","0.0894","","","0.2045","0.2241","","","","","","1.065","","","","has coordinates,has disorder","246493","2020-10-21","18:00:00",""
"4133897","40.0068","0.0006","16.6856","0.0002","29.7859","0.0005","90","","100.207","0.0016","90","","19568.6","0.5","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C120 H268 Ag6 Cl8 N7 O68 Si2 W18 -","- C120 H268 Ag6 Cl8 N7 O68 Si2 W18 -","- C480 H1072 Ag24 Cl32 N28 O272 Si8 W72 -","4","0.5","","Yonesato, Kentaro; Ito, Hiroyasu; Itakura, Hiroyuki; Yokogawa, Daisuke; Kikuchi, Takashi; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Controlled Assembly Synthesis of Atomically Precise Ultrastable Silver Nanoclusters with Polyoxometalates.","Journal of the American Chemical Society","2019","141","50","19550","19554","10.1021/jacs.9b10569","","x-ray","0.71073","MoKα","","0.0627","0.0446","","","0.0957","0.103","","","","","","1.034","","","","has coordinates","246493","2020-10-21","18:00:00",""
"4133898","27.7691","0.0002","33.0762","0.0002","35.0235","0.0002","83.5033","0.0005","68.9814","0.0006","69.762","0.0006","28172.5","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C148 H328 Ag29 N14 O236 Si6 W54 -","- C148 H328 Ag29 N14 O236 Si6 W54 -","- C296 H656 Ag58 N28 O472 Si12 W108 -","2","1","","Yonesato, Kentaro; Ito, Hiroyasu; Itakura, Hiroyuki; Yokogawa, Daisuke; Kikuchi, Takashi; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Controlled Assembly Synthesis of Atomically Precise Ultrastable Silver Nanoclusters with Polyoxometalates.","Journal of the American Chemical Society","2019","141","50","19550","19554","10.1021/jacs.9b10569","","x-ray","0.71073","MoKα","","0.1084","0.0622","","","0.1449","0.1734","","","","","","1.012","","","","has coordinates,has disorder","246493","2020-10-21","18:00:00",""
"4133899","13.249","0.003","22.895","0.005","23.084","0.005","90","","96.9","0.03","90","","6951","3","113.15","","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H101 B3 Li N7 O Si -","- C71 H101 B3 Li N7 O Si -","- C284 H404 B12 Li4 N28 O4 Si4 -","4","1","","Zhu, Lizhao; Zhang, Jianying; Yang, Hao; Cui, Chunming","Synthesis of Silaketenimine Anion and Its Coupling with Isocyanide.","Journal of the American Chemical Society","2019","141","50","19600","19604","10.1021/jacs.9b11913","","","0.71073","MoKα","","0.0991","0.0794","","","0.1922","0.2063","","","","","","1.081","","","","has coordinates","246494","2020-10-21","18:00:00",""
"4133900","13.644","0.003","17.783","0.004","18.523","0.004","76.41","0.03","80","0.03","69.32","0.03","4066.6","1.8","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C87 H122 B3 Li N8 O Si -","- C87 H122 B3 Li N8 O Si -","- C174 H244 B6 Li2 N16 O2 Si2 -","2","1","","Zhu, Lizhao; Zhang, Jianying; Yang, Hao; Cui, Chunming","Synthesis of Silaketenimine Anion and Its Coupling with Isocyanide.","Journal of the American Chemical Society","2019","141","50","19600","19604","10.1021/jacs.9b11913","","","0.71073","MoKα","","0.0926","0.0692","","","0.182","0.208","","","","","","1.104","","","","has coordinates","246496","2020-10-21","18:00:00",""
"4133901","12.469","0.003","23.666","0.005","21.59","0.004","90","","100.59","0.03","90","","6263","2","113.15","","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H91 B3 Li N7 Si -","- C65 H91 B3 Li N7 Si -","- C260 H364 B12 Li4 N28 Si4 -","4","1","","Zhu, Lizhao; Zhang, Jianying; Yang, Hao; Cui, Chunming","Synthesis of Silaketenimine Anion and Its Coupling with Isocyanide.","Journal of the American Chemical Society","2019","141","50","19600","19604","10.1021/jacs.9b11913","","","0.71073","MoKα","","0.1256","0.0885","","","0.2173","0.2411","","","","","","1.057","","","","has coordinates","246497","2020-10-21","18:00:00",""
"4133902","24.1829","0.0008","11.061","0.0003","24.7085","0.0008","90","","112.408","0.002","90","","6110.2","0.3","100","2","100","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C54.5 H74.5 B Cu F3 N2 O3 Si -","- C54.503 H74.506 B Cu F3 N2 O3 Si -","- C218.012 H298.024 B4 Cu4 F12 N8 O12 Si4 -","4","2","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.0704","0.0643","","","0.1762","0.1825","","","","","","1.067","","","","has coordinates,has disorder","246498","2020-10-21","18:00:00",""
"4133903","6.6591","0.0003","7.0377","0.0003","41.661","0.0016","90","","90","","90","","1952.43","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F2 N O4 Si -","- C19 H19 F2 N O4 Si -","- C76 H76 F8 N4 O16 Si4 -","4","1","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.0422","0.0388","","","0.1","0.1025","","","","","","1.047","","","","has coordinates","246499","2020-10-21","18:00:00",""
"4133904","8.414","0.0004","8.8842","0.0004","11.9257","0.0006","102.293","0.0018","95.7488","0.0019","104.356","0.0019","832.74","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H23 B F2 O2 -","- C17 H23 B F2 O2 -","- C34 H46 B2 F4 O4 -","2","2","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.056","0.0556","","","0.1379","0.1384","","","","","","1.065","","","","has coordinates","246501","2020-10-21","18:00:00",""
"4133905","16.603","0.0006","13.7487","0.0004","16.9259","0.0006","90","","110.253","0.002","90","","3624.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H43 Cu F3 N3 Si -","- C39 H43 Cu F3 N3 Si -","- C156 H172 Cu4 F12 N12 Si4 -","4","1","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.0574","0.0555","","","0.1252","0.1261","","","","","","1.231","","","","has coordinates,has disorder","246502","2020-10-21","18:00:00",""
"4133906","17.8697","0.0006","16.4289","0.0005","16.6878","0.0005","90","","103.514","0.002","90","","4763.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Cu F3 N2 O Si -","- C50 H67 Cu F3 N2 O Si -","- C200 H268 Cu4 F12 N8 O4 Si4 -","4","1","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.0519","0.0473","","","0.1262","0.1303","","","","","","1.03","","","","has coordinates,has disorder","246503","2020-10-21","18:00:00",""
"4133907","9.7884","0.0003","10.4455","0.0003","11.6886","0.0003","66.5672","0.0012","70.0783","0.0015","65.0638","0.0013","972.56","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C50 H42 N2 O4 -","2","1","","Wang, Yidong; Zhu, Jin; Durham, Austin C.; Lindberg, Haley; Wang, Yi-Ming","α-C-H Functionalization of π-Bonds Using Iron Complexes: Catalytic Hydroxyalkylation of Alkynes and Alkenes.","Journal of the American Chemical Society","2019","141","50","19594","19599","10.1021/jacs.9b11716","","","1.54178","CuKα","","0.0369","0.0344","","","0.125","0.128","","","","","","1.637","","","","has coordinates","246504","2020-10-21","18:00:00",""
"4133908","9.2388","0.0003","9.285","0.0003","16.9164","0.0005","99.14","0.001","93.674","0.001","107.59","0.001","1355.99","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 Br O -","- C16 H13 Br O -","- C64 H52 Br4 O4 -","4","2","","Wang, Yidong; Zhu, Jin; Durham, Austin C.; Lindberg, Haley; Wang, Yi-Ming","α-C-H Functionalization of π-Bonds Using Iron Complexes: Catalytic Hydroxyalkylation of Alkynes and Alkenes.","Journal of the American Chemical Society","2019","141","50","19594","19599","10.1021/jacs.9b11716","","","1.54178","CuKα","","0.0427","0.0416","","","0.1205","0.1218","","","","","","1.562","","","","has coordinates","246505","2020-10-21","18:00:00",""
"4133909","11.7674","0.001","12.161","0.001","28.605","0.003","83.764","0.002","80.941","0.002","78.3598","0.0017","3946.8","0.6","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H42.5 La N9 O23.25 P4 -","- C12 H24 La N9 O23.25 P4 -","- C48 H96 La4 N36 O93 P16 -","4","2","","Stein, Benjamin W.; Morgenstern, Amanda; Batista, Enrique R.; Birnbaum, Eva R.; Bone, Sharon E.; Cary, Samantha K.; Ferrier, Maryline G.; John, Kevin D.; Pacheco, Juan Lezama; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Yang, Ping","Advancing Chelation Chemistry for Actinium and Other +3 f-Elements, Am, Cm, and La.","Journal of the American Chemical Society","2019","141","49","19404","19414","10.1021/jacs.9b10354","","","0.71073","MoKα","","0.075","0.0471","","","0.1221","0.1314","","","","","","1.243","","","","has coordinates","246506","2020-10-21","18:00:00",""